nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 9 69) Finished k-point number 140 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 73) Finished k-point number 147 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 68) Finished k-point number 138 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.958692277384102 0.928035097735436 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002621 tlogG= -0.011264 logG= -0.013884 Density= 0.053635 ETOT(band)= -0.055718 trlgG= -0.070001 logG= -0.013884 TDE= -0.082658 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002834 tlogG= -0.011777 logG= -0.014611 Density= 0.053649 ETOT(band)= -0.056103 trlgG= -0.070943 logG= -0.014611 TDE= -0.082880 logGD-logG0= -0.002605 tlogG= -0.011640 logG= -0.014245 Density= 0.053444 ETOT(band)= -0.055998 trlgG= -0.070659 logG= -0.014245 TDE= -0.082861 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002683 tlogG= -0.011808 logG= -0.014491 Density= 0.053466 ETOT(band)= -0.056114 trlgG= -0.070962 logG= -0.014491 TDE= -0.082929 logGD-logG0= -0.002928 tlogG= -0.011644 logG= -0.014572 Density= 0.054010 ETOT(band)= -0.055930 trlgG= -0.070784 logG= -0.014572 TDE= -0.082938 logGD-logG0= -0.005866 tlogG= -0.023114 logG= -0.028980 Density= 0.107933 ETOT(band)= -0.111809 trlgG= -0.141310 logG= -0.028980 TDE= -0.165741 logGD-logG0= -0.005618 tlogG= -0.022621 logG= -0.028239 Density= 0.107907 ETOT(band)= -0.111438 trlgG= -0.140190 logG= -0.028239 TDE= -0.165349 logGD-logG0= -0.001633 tlogG= -0.007713 logG= -0.009346 logGD-logG0= -0.001551 tlogG= -0.007924 logG= -0.009475 Density= 0.035225 ETOT(band)= -0.037456 trlgG= -0.047317 logG= -0.009475 TDE= -0.055273 Density= 0.035425 ETOT(band)= -0.037324 trlgG= -0.046988 logG= -0.009346 TDE= -0.055172 logGD-logG0= -0.005549 tlogG= -0.022170 logG= -0.027719 Density= 0.107982 ETOT(band)= -0.111118 trlgG= -0.139394 logG= -0.027719 TDE= -0.165110 logGD-logG0= -0.005874 tlogG= -0.023263 logG= -0.029137 Density= 0.107976 ETOT(band)= -0.111875 trlgG= -0.141554 logG= -0.029137 TDE= -0.165849 logGD-logG0= -0.005743 tlogG= -0.022932 logG= -0.028675 Density= 0.107896 ETOT(band)= -0.111670 trlgG= -0.140848 logG= -0.028675 TDE= -0.165565 logGD-logG0= -0.002994 tlogG= -0.011620 logG= -0.014614 Density= 0.053863 ETOT(band)= -0.056016 trlgG= -0.070841 logG= -0.014614 TDE= -0.082881 logGD-logG0= -0.005341 tlogG= -0.023242 logG= -0.028583 Density= 0.107154 ETOT(band)= -0.111926 trlgG= -0.141230 logG= -0.028583 TDE= -0.165672 logGD-logG0= -0.005473 tlogG= -0.023584 logG= -0.029057 Density= 0.107142 ETOT(band)= -0.112178 trlgG= -0.141859 logG= -0.029057 TDE= -0.165822 logGD-logG0= -0.004732 tlogG= -0.023710 logG= -0.028441 Density= 0.105865 ETOT(band)= -0.112307 trlgG= -0.141844 logG= -0.028441 TDE= -0.165790 logGD-logG0= -0.004758 tlogG= -0.023642 logG= -0.028401 Density= 0.105922 ETOT(band)= -0.112270 trlgG= -0.141745 logG= -0.028401 TDE= -0.165760 logGD-logG0= -0.005693 tlogG= -0.023594 logG= -0.029287 Density= 0.107397 ETOT(band)= -0.112208 trlgG= -0.141926 logG= -0.029287 TDE= -0.165784 logGD-logG0= -0.005370 tlogG= -0.022527 logG= -0.027897 Density= 0.107539 ETOT(band)= -0.111403 trlgG= -0.139968 logG= -0.027897 TDE= -0.165287 logGD-logG0= -0.004878 tlogG= -0.023743 logG= -0.028621 Density= 0.106146 ETOT(band)= -0.112286 trlgG= -0.141882 logG= -0.028621 TDE= -0.165788 logGD-logG0= -0.005226 tlogG= -0.023447 logG= -0.028673 logGD-logG0= -0.005795 tlogG= -0.023528 logG= -0.029323 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107632 ETOT(band)= -0.112139 trlgG= -0.141831 logG= -0.029323 TDE= -0.165770 Density= 0.106767 ETOT(band)= -0.112091 trlgG= -0.141429 logG= -0.028673 TDE= -0.165589 logGD-logG0= -0.005116 tlogG= -0.022764 logG= -0.027880 Density= 0.106688 ETOT(band)= -0.111726 trlgG= -0.140370 logG= -0.027880 TDE= -0.165284 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005699 tlogG= -0.023482 logG= -0.029181 Density= 0.107507 ETOT(band)= -0.112101 trlgG= -0.141704 logG= -0.029181 TDE= -0.165723 logGD-logG0= -0.005033 tlogG= -0.022951 logG= -0.027984 Density= 0.106544 ETOT(band)= -0.111838 trlgG= -0.140659 logG= -0.027984 TDE= -0.165398 logGD-logG0= -0.005740 tlogG= -0.023635 logG= -0.029375 Density= 0.107548 ETOT(band)= -0.112205 trlgG= -0.141965 logG= -0.029375 TDE= -0.165810 logGD-logG0= -0.005697 tlogG= -0.022747 logG= -0.028444 Density= 0.107959 ETOT(band)= -0.111523 trlgG= -0.140502 logG= -0.028444 TDE= -0.165481 logGD-logG0= -0.005446 tlogG= -0.023513 logG= -0.028959 Density= 0.107016 ETOT(band)= -0.112148 trlgG= -0.141566 logG= -0.028959 TDE= -0.165564 logGD-logG0= -0.005312 tlogG= -0.022482 logG= -0.027794 Density= 0.107103 ETOT(band)= -0.111514 trlgG= -0.140038 logG= -0.027794 TDE= -0.165244 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023669 logG= -0.028797 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005990 tlogG= -0.023161 logG= -0.029151 Density= 0.107682 ETOT(band)= -0.112005 trlgG= -0.141555 logG= -0.029151 TDE= -0.165690 Density= 0.106525 ETOT(band)= -0.112245 trlgG= -0.141807 logG= -0.028797 TDE= -0.165724 logGD-logG0= -0.005005 tlogG= -0.023417 logG= -0.028423 Density= 0.106368 ETOT(band)= -0.112126 trlgG= -0.141419 logG= -0.028423 TDE= -0.165632 logGD-logG0= -0.005609 tlogG= -0.022351 logG= -0.027960 Density= 0.108018 ETOT(band)= -0.111241 trlgG= -0.139770 logG= -0.027960 TDE= -0.165263 logGD-logG0= -0.005856 tlogG= -0.023206 logG= -0.029062 Density= 0.107997 ETOT(band)= -0.111825 trlgG= -0.141439 logG= -0.029062 TDE= -0.165820 logGD-logG0= -0.005066 tlogG= -0.023259 logG= -0.028325 Density= 0.106563 ETOT(band)= -0.111999 trlgG= -0.141130 logG= -0.028325 TDE= -0.165538 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005820 tlogG= -0.023002 logG= -0.028822 Density= 0.107961 ETOT(band)= -0.111715 trlgG= -0.141071 logG= -0.028822 TDE= -0.165673 logGD-logG0= -0.005265 tlogG= -0.023203 logG= -0.028468 logGD-logG0= -0.010811 tlogG= -0.047171 logG= -0.057982 Density= 0.213932 ETOT(band)= -0.224424 trlgG= -0.283765 logG= -0.057982 TDE= -0.331648 Density= 0.106745 ETOT(band)= -0.112028 trlgG= -0.141269 logG= -0.028468 TDE= -0.165624 logGD-logG0= -0.005378 tlogG= -0.023556 logG= -0.028934 Density= 0.106823 ETOT(band)= -0.112230 trlgG= -0.141833 logG= -0.028934 TDE= -0.165761 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005547 tlogG= -0.022583 logG= -0.028130 Density= 0.107415 ETOT(band)= -0.111572 trlgG= -0.140208 logG= -0.028130 TDE= -0.165233 logGD-logG0= -0.005861 tlogG= -0.023429 logG= -0.029290 Density= 0.107696 ETOT(band)= -0.112088 trlgG= -0.141781 logG= -0.029290 TDE= -0.165784 logGD-logG0= -0.010516 tlogG= -0.046495 logG= -0.057010 Density= 0.213851 ETOT(band)= -0.223962 trlgG= -0.282550 logG= -0.057010 TDE= -0.331364 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005647 tlogG= -0.023512 logG= -0.029159 Density= 0.107220 ETOT(band)= -0.112195 trlgG= -0.141783 logG= -0.029159 TDE= -0.165681 logGD-logG0= -0.005677 tlogG= -0.022901 logG= -0.028578 Density= 0.107473 ETOT(band)= -0.111783 trlgG= -0.140766 logG= -0.028578 TDE= -0.165371 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005848 tlogG= -0.023077 logG= -0.028926 Density= 0.107579 ETOT(band)= -0.111920 trlgG= -0.141195 logG= -0.028926 TDE= -0.165505 logGD-logG0= -0.010586 tlogG= -0.045047 logG= -0.055632 Density= 0.214615 ETOT(band)= -0.222897 trlgG= -0.280022 logG= -0.055632 TDE= -0.330592 logGD-logG0= -0.010596 tlogG= -0.047210 logG= -0.057806 Density= 0.213508 ETOT(band)= -0.224454 trlgG= -0.283490 logG= -0.057806 TDE= -0.331339 logGD-logG0= -0.010623 tlogG= -0.045084 logG= -0.055707 logGD-logG0= -0.011158 tlogG= -0.047032 logG= -0.058190 Density= 0.214310 ETOT(band)= -0.224357 trlgG= -0.283368 logG= -0.058190 TDE= -0.331229 Density= 0.213987 ETOT(band)= -0.223181 trlgG= -0.280136 logG= -0.055707 TDE= -0.330321 logGD-logG0= -0.010069 tlogG= -0.047418 logG= -0.057488 Density= 0.212807 ETOT(band)= -0.224511 trlgG= -0.283689 logG= -0.057488 TDE= -0.331509 logGD-logG0= -0.010721 tlogG= -0.046992 logG= -0.057713 Density= 0.213830 ETOT(band)= -0.224267 trlgG= -0.283066 logG= -0.057713 TDE= -0.331167 logGD-logG0= -0.009821 tlogG= -0.047054 logG= -0.056876 Density= 0.212463 ETOT(band)= -0.224357 trlgG= -0.283126 logG= -0.056876 TDE= -0.331388 logGD-logG0= -0.010999 tlogG= -0.047034 logG= -0.058033 Density= 0.214066 ETOT(band)= -0.224377 trlgG= -0.283582 logG= -0.058033 TDE= -0.331479 logGD-logG0= -0.011070 tlogG= -0.047030 logG= -0.058099 Density= 0.214199 ETOT(band)= -0.224351 trlgG= -0.283391 logG= -0.058099 TDE= -0.331288 logGD-logG0= -0.011867 tlogG= -0.046581 logG= -0.058448 Density= 0.215415 ETOT(band)= -0.224077 trlgG= -0.283347 logG= -0.058448 TDE= -0.331497 logGD-logG0= -0.011057 tlogG= -0.045730 logG= -0.056787 Density= 0.214799 ETOT(band)= -0.223441 trlgG= -0.281302 logG= -0.056787 TDE= -0.330809 logGD-logG0= -0.010793 tlogG= -0.046326 logG= -0.057120 Density= 0.214039 ETOT(band)= -0.223921 trlgG= -0.282370 logG= -0.057120 TDE= -0.331168 logGD-logG0= -0.011360 tlogG= -0.047085 logG= -0.058445 Density= 0.214607 ETOT(band)= -0.224406 trlgG= -0.283739 logG= -0.058445 TDE= -0.331492 logGD-logG0= -0.010393 tlogG= -0.046556 logG= -0.056949 Density= 0.213318 ETOT(band)= -0.224100 trlgG= -0.282456 logG= -0.056949 TDE= -0.331067 logGD-logG0= -0.002752 tlogG= -0.010736 logG= -0.013488 Density= 0.053966 ETOT(band)= -0.055309 trlgG= -0.069088 logG= -0.013488 TDE= -0.082305 logGD-logG0= -0.010856 tlogG= -0.045000 logG= -0.055856 Density= 0.214753 ETOT(band)= -0.222964 trlgG= -0.280051 logG= -0.055856 TDE= -0.330466 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011381 tlogG= -0.046200 logG= -0.057581 Density= 0.214995 ETOT(band)= -0.223772 trlgG= -0.282170 logG= -0.057581 TDE= -0.330979 logGD-logG0= -0.011634 tlogG= -0.046791 logG= -0.058425 Density= 0.215279 ETOT(band)= -0.224126 trlgG= -0.283299 logG= -0.058425 TDE= -0.331405 logGD-logG0= -0.010535 tlogG= -0.047270 logG= -0.057805 Density= 0.213495 ETOT(band)= -0.224440 trlgG= -0.283519 logG= -0.057805 TDE= -0.331363 logGD-logG0= -0.010333 tlogG= -0.046741 logG= -0.057074 Density= 0.213347 ETOT(band)= -0.224127 trlgG= -0.282644 logG= -0.057074 TDE= -0.331145 logGD-logG0= -0.011385 tlogG= -0.047064 logG= -0.058449 Density= 0.214629 ETOT(band)= -0.224396 trlgG= -0.283702 logG= -0.058449 TDE= -0.331462 logGD-logG0= -0.011702 tlogG= -0.046445 logG= -0.058148 Density= 0.215239 ETOT(band)= -0.223975 trlgG= -0.282856 logG= -0.058148 TDE= -0.331220 logGD-logG0= -0.011178 tlogG= -0.047042 logG= -0.058220 Density= 0.214596 ETOT(band)= -0.224285 trlgG= -0.283547 logG= -0.058220 TDE= -0.331520 logGD-logG0= -0.010993 tlogG= -0.046348 logG= -0.057341 Density= 0.214712 ETOT(band)= -0.223773 trlgG= -0.282281 logG= -0.057341 TDE= -0.331191 logGD-logG0= -0.011356 tlogG= -0.046645 logG= -0.058001 Density= 0.215007 ETOT(band)= -0.223998 trlgG= -0.282866 logG= -0.058001 TDE= -0.331261 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011423 tlogG= -0.047234 logG= -0.058657 Density= 0.214915 ETOT(band)= -0.224419 trlgG= -0.283900 logG= -0.058657 TDE= -0.331594 logGD-logG0= -0.000225 tlogG= -0.000850 logG= -0.001075 Density= 0.004532 ETOT(band)= -0.004556 trlgG= -0.005670 logG= -0.001075 TDE= -0.006837 logGD-logG0= -0.005641 tlogG= -0.021818 logG= -0.027458 Density= 0.108108 ETOT(band)= -0.110849 trlgG= -0.138963 logG= -0.027458 TDE= -0.165001 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001853 tlogG= -0.006929 logG= -0.008781 Density= 0.036128 ETOT(band)= -0.036650 trlgG= -0.045687 logG= -0.008781 TDE= -0.054784 logGD-logG0= -0.002748 tlogG= -0.010347 logG= -0.013096 Density= 0.054265 ETOT(band)= -0.054881 trlgG= -0.068392 logG= -0.013096 TDE= -0.082149 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005539 tlogG= -0.022142 logG= -0.027681 Density= 0.107435 ETOT(band)= -0.111279 trlgG= -0.139513 logG= -0.027681 TDE= -0.164996 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005583 tlogG= -0.021282 logG= -0.026865 Density= 0.108275 ETOT(band)= -0.110384 trlgG= -0.137977 logG= -0.026865 TDE= -0.164692 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005611 tlogG= -0.021596 logG= -0.027207 Density= 0.107618 ETOT(band)= -0.110911 trlgG= -0.138599 logG= -0.027207 TDE= -0.164647 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005512 tlogG= -0.020804 logG= -0.026316 Density= 0.108480 ETOT(band)= -0.109885 trlgG= -0.137011 logG= -0.026316 TDE= -0.164377 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001833 tlogG= -0.007262 logG= -0.009095 Density= 0.035793 ETOT(band)= -0.037023 trlgG= -0.046254 logG= -0.009095 TDE= -0.054871 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005608 tlogG= -0.021592 logG= -0.027201 Density= 0.108091 ETOT(band)= -0.110694 trlgG= -0.138540 logG= -0.027201 TDE= -0.164828 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011107 tlogG= -0.043006 logG= -0.054112 Density= 0.215878 ETOT(band)= -0.221341 trlgG= -0.276597 logG= -0.054112 TDE= -0.329312 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005577 tlogG= -0.021478 logG= -0.027055 Density= 0.107758 ETOT(band)= -0.110748 trlgG= -0.138318 logG= -0.027055 TDE= -0.164586 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001399 tlogG= -0.005517 logG= -0.006916 Density= 0.080677 ETOT(band)= -0.083471 trlgG= -0.104831 logG= -0.006916 TDE= -0.041296 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001415 tlogG= -0.005632 logG= -0.007047 Density= 0.080459 ETOT(band)= -0.083835 trlgG= -0.105690 logG= -0.007047 TDE= -0.041352 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023656 logG= -0.028798 Density= 0.213355 ETOT(band)= -0.224309 trlgG= -0.283192 logG= -0.028798 TDE= -0.165710 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.023616 logG= -0.029003 Density= 0.213901 ETOT(band)= -0.224376 trlgG= -0.283328 logG= -0.029003 TDE= -0.165652 logGD-logG0= -0.004904 tlogG= -0.023681 logG= -0.028585 Density= 0.212325 ETOT(band)= -0.224549 trlgG= -0.283687 logG= -0.028585 TDE= -0.165762 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023507 logG= -0.028691 Density= 0.213107 ETOT(band)= -0.224433 trlgG= -0.283405 logG= -0.028691 TDE= -0.165648 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005752 tlogG= -0.022951 logG= -0.028702 logGD-logG0= -0.005280 tlogG= -0.023480 logG= -0.028760 Density= 0.213650 ETOT(band)= -0.224383 trlgG= -0.283525 logG= -0.028760 TDE= -0.165795 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215737 ETOT(band)= -0.223251 trlgG= -0.281379 logG= -0.028702 TDE= -0.165509 logGD-logG0= -0.005185 tlogG= -0.022968 logG= -0.028153 Density= 0.213058 ETOT(band)= -0.224001 trlgG= -0.282159 logG= -0.028153 TDE= -0.165384 logGD-logG0= -0.005216 tlogG= -0.022938 logG= -0.028154 Density= 0.213733 ETOT(band)= -0.223801 trlgG= -0.282015 logG= -0.028154 TDE= -0.165536 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005617 tlogG= -0.022665 logG= -0.028282 Density= 0.215778 ETOT(band)= -0.222761 trlgG= -0.280022 logG= -0.028282 TDE= -0.165295 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005564 tlogG= -0.023248 logG= -0.028812 Density= 0.214688 ETOT(band)= -0.223780 trlgG= -0.281917 logG= -0.028812 TDE= -0.165395 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005383 tlogG= -0.023057 logG= -0.028440 Density= 0.214466 ETOT(band)= -0.223444 trlgG= -0.281038 logG= -0.028440 TDE= -0.165363 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005911 tlogG= -0.023254 logG= -0.029165 Density= 0.215892 ETOT(band)= -0.223751 trlgG= -0.283033 logG= -0.029165 TDE= -0.165821 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005853 tlogG= -0.023377 logG= -0.029230 Density= 0.215184 ETOT(band)= -0.224130 trlgG= -0.283220 logG= -0.029230 TDE= -0.165632 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007852 logG= -0.009430 Density= 0.070720 ETOT(band)= -0.074736 trlgG= -0.094196 logG= -0.009430 TDE= -0.055243 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005651 tlogG= -0.023616 logG= -0.029266 Density= 0.322304 ETOT(band)= -0.336618 trlgG= -0.425833 logG= -0.029266 TDE= -0.165808 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004705 tlogG= -0.023782 logG= -0.028487 Density= 0.211660 ETOT(band)= -0.224657 trlgG= -0.283799 logG= -0.028487 TDE= -0.165820 logGD-logG0= -0.004840 tlogG= -0.023430 logG= -0.028270 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212670 ETOT(band)= -0.223978 trlgG= -0.282073 logG= -0.028270 TDE= -0.165661 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.005387 logG= -0.006781 Density= 0.081039 ETOT(band)= -0.082948 trlgG= -0.103693 logG= -0.006781 TDE= -0.041220 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004894 tlogG= -0.023295 logG= -0.028190 logGD-logG0= -0.001459 tlogG= -0.005817 logG= -0.007276 Density= 0.212156 ETOT(band)= -0.224330 trlgG= -0.282955 logG= -0.028190 TDE= -0.165590 Density= 0.080877 ETOT(band)= -0.083972 trlgG= -0.106218 logG= -0.007276 TDE= -0.041469 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001441 tlogG= -0.005716 logG= -0.007157 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080470 ETOT(band)= -0.084012 trlgG= -0.106157 logG= -0.007157 TDE= -0.041401 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.022030 logG= -0.027404 Density= 0.214643 ETOT(band)= -0.222590 trlgG= -0.279219 logG= -0.027404 TDE= -0.164993 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004933 tlogG= -0.023604 logG= -0.028537 Density= 0.212843 ETOT(band)= -0.224202 trlgG= -0.282796 logG= -0.028537 TDE= -0.165721 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005540 tlogG= -0.022225 logG= -0.027765 Density= 0.215910 ETOT(band)= -0.222063 trlgG= -0.278437 logG= -0.027765 TDE= -0.165056 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001457 tlogG= -0.005780 logG= -0.007237 Density= 0.080655 ETOT(band)= -0.084042 trlgG= -0.106260 logG= -0.007237 TDE= -0.041444 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001360 tlogG= -0.005142 logG= -0.006502 Density= 0.062391 ETOT(band)= -0.064844 trlgG= -0.081429 logG= -0.006502 TDE= -0.041053 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001376 tlogG= -0.005251 logG= -0.006628 Density= 0.081382 ETOT(band)= -0.082391 trlgG= -0.102732 logG= -0.006628 TDE= -0.041131 logGD-logG0= -0.001813 tlogG= -0.006839 logG= -0.008653 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.040757 ETOT(band)= -0.041058 trlgG= -0.051122 logG= -0.008653 TDE= -0.054726 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011317 tlogG= -0.047117 logG= -0.058434 Density= 0.429180 ETOT(band)= -0.448692 trlgG= -0.567306 logG= -0.058434 TDE= -0.331512 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001915 tlogG= -0.007026 logG= -0.008941 Density= 0.072105 ETOT(band)= -0.073486 trlgG= -0.091655 logG= -0.008941 TDE= -0.054830 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005757 tlogG= -0.023326 logG= -0.029083 Density= 0.214967 ETOT(band)= -0.224000 trlgG= -0.282617 logG= -0.029083 TDE= -0.165480 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010159 tlogG= -0.047185 logG= -0.057344 Density= 0.425742 ETOT(band)= -0.448929 trlgG= -0.567064 logG= -0.057344 TDE= -0.331402 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009662 tlogG= -0.047466 logG= -0.057128 Density= 0.424581 ETOT(band)= -0.448940 trlgG= -0.566867 logG= -0.057128 TDE= -0.331579 logGD-logG0= -0.005282 tlogG= -0.022737 logG= -0.028019 Density= 0.214406 ETOT(band)= -0.222966 trlgG= -0.279828 logG= -0.028019 TDE= -0.165231 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010141 tlogG= -0.046243 logG= -0.056384 Density= 0.427099 ETOT(band)= -0.447064 trlgG= -0.562016 logG= -0.056384 TDE= -0.330954 logGD-logG0= -0.005513 tlogG= -0.023615 logG= -0.029128 Density= 0.214289 ETOT(band)= -0.224443 trlgG= -0.283750 logG= -0.029128 TDE= -0.165823 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005895 tlogG= -0.023112 logG= -0.029008 Density= 0.215799 ETOT(band)= -0.223578 trlgG= -0.282416 logG= -0.029008 TDE= -0.165702 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005520 tlogG= -0.023400 logG= -0.028920 logGD-logG0= -0.010126 tlogG= -0.047274 logG= -0.057400 Density= 0.215015 ETOT(band)= -0.224121 trlgG= -0.283310 logG= -0.028920 TDE= -0.165716 logGD-logG0= -0.005805 tlogG= -0.023265 logG= -0.029070 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214859 ETOT(band)= -0.224127 trlgG= -0.283292 logG= -0.029070 TDE= -0.165666 Density= 0.426292 ETOT(band)= -0.448549 trlgG= -0.566099 logG= -0.057400 TDE= -0.331432 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005476 tlogG= -0.022904 logG= -0.028380 Density= 0.321033 ETOT(band)= -0.336105 trlgG= -0.424149 logG= -0.028380 TDE= -0.165465 logGD-logG0= -0.005431 tlogG= -0.022068 logG= -0.027498 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213908 ETOT(band)= -0.222993 trlgG= -0.279704 logG= -0.027498 TDE= -0.164894 logGD-logG0= -0.010687 tlogG= -0.045851 logG= -0.056538 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428726 ETOT(band)= -0.446595 trlgG= -0.561403 logG= -0.056538 TDE= -0.330697 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005640 tlogG= -0.023144 logG= -0.028784 Density= 0.214766 ETOT(band)= -0.223769 trlgG= -0.282311 logG= -0.028784 TDE= -0.165549 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.022945 logG= -0.028179 logGD-logG0= -0.005300 tlogG= -0.023489 logG= -0.028789 Density= 0.320860 ETOT(band)= -0.336553 trlgG= -0.425447 logG= -0.028789 TDE= -0.165807 Density= 0.320957 ETOT(band)= -0.335700 trlgG= -0.423272 logG= -0.028179 TDE= -0.165544 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005524 tlogG= -0.023629 logG= -0.029154 Density= 0.321743 ETOT(band)= -0.336640 trlgG= -0.425710 logG= -0.029154 TDE= -0.165834 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005829 tlogG= -0.023436 logG= -0.029265 Density= 0.322944 ETOT(band)= -0.336215 trlgG= -0.425074 logG= -0.029265 TDE= -0.165673 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005763 tlogG= -0.023600 logG= -0.029363 Density= 0.215205 ETOT(band)= -0.224326 trlgG= -0.283748 logG= -0.029363 TDE= -0.165786 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005585 tlogG= -0.021057 logG= -0.026642 Density= 0.162300 ETOT(band)= -0.166149 trlgG= -0.208375 logG= -0.026642 TDE= -0.164536 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010804 tlogG= -0.046880 logG= -0.057684 Density= 0.428208 ETOT(band)= -0.448555 trlgG= -0.566797 logG= -0.057684 TDE= -0.331500 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005597 tlogG= -0.021676 logG= -0.027274 Density= 0.216179 ETOT(band)= -0.221210 trlgG= -0.276637 logG= -0.027274 TDE= -0.164782 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005904 tlogG= -0.023315 logG= -0.029219 Density= 0.215193 ETOT(band)= -0.224208 trlgG= -0.283599 logG= -0.029219 TDE= -0.165796 logGD-logG0= -0.011002 tlogG= -0.047177 logG= -0.058179 Density= 0.428283 ETOT(band)= -0.448790 trlgG= -0.566990 logG= -0.058179 TDE= -0.331359 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010661 tlogG= -0.046908 logG= -0.057569 Density= 0.427722 ETOT(band)= -0.448189 trlgG= -0.565388 logG= -0.057569 TDE= -0.331188 logGD-logG0= -0.005661 tlogG= -0.021089 logG= -0.026750 logGD-logG0= -0.011170 tlogG= -0.047211 logG= -0.058381 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011572 tlogG= -0.047014 logG= -0.058586 Density= 0.430350 ETOT(band)= -0.448437 trlgG= -0.566889 logG= -0.058586 TDE= -0.331431 logGD-logG0= -0.011445 tlogG= -0.046864 logG= -0.058309 Density= 0.429817 ETOT(band)= -0.448238 trlgG= -0.566215 logG= -0.058309 TDE= -0.331339 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216595 ETOT(band)= -0.220261 trlgG= -0.274791 logG= -0.026750 TDE= -0.164530 Density= 0.429078 ETOT(band)= -0.448831 trlgG= -0.567573 logG= -0.058381 TDE= -0.331610 logGD-logG0= -0.010698 tlogG= -0.045817 logG= -0.056515 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322072 ETOT(band)= -0.334829 trlgG= -0.421309 logG= -0.056515 TDE= -0.330987 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011132 tlogG= -0.046677 logG= -0.057809 logGD-logG0= -0.011043 tlogG= -0.047159 logG= -0.058202 Density= 0.429122 ETOT(band)= -0.447899 trlgG= -0.565277 logG= -0.057809 TDE= -0.331288 Density= 0.428394 ETOT(band)= -0.448824 trlgG= -0.567137 logG= -0.058202 TDE= -0.331507 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011451 tlogG= -0.047145 logG= -0.058596 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010679 tlogG= -0.046827 logG= -0.057506 Density= 0.427110 ETOT(band)= -0.448746 trlgG= -0.566714 logG= -0.057506 TDE= -0.331419 Density= 0.322499 ETOT(band)= -0.336455 trlgG= -0.425451 logG= -0.058596 TDE= -0.331540 logGD-logG0= -0.011833 tlogG= -0.046408 logG= -0.058241 Density= 0.323620 ETOT(band)= -0.335654 trlgG= -0.424350 logG= -0.058241 TDE= -0.331532 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005920 tlogG= -0.023283 logG= -0.029203 logGD-logG0= -0.010595 tlogG= -0.045764 logG= -0.056359 logGD-logG0= -0.010596 tlogG= -0.047280 logG= -0.057876 Density= 0.427411 ETOT(band)= -0.448713 trlgG= -0.566602 logG= -0.057876 TDE= -0.331350 Density= 0.215855 ETOT(band)= -0.223831 trlgG= -0.283208 logG= -0.029203 TDE= -0.165835 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427222 ETOT(band)= -0.447681 trlgG= -0.563878 logG= -0.056359 TDE= -0.330915 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011351 tlogG= -0.046621 logG= -0.057972 logGD-logG0= -0.005325 tlogG= -0.022309 logG= -0.027634 Density= 0.214684 ETOT(band)= -0.222324 trlgG= -0.278232 logG= -0.027634 TDE= -0.164980 Density= 0.429607 ETOT(band)= -0.447891 trlgG= -0.564977 logG= -0.057972 TDE= -0.331035 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011268 tlogG= -0.045788 logG= -0.057056 logGD-logG0= -0.011649 tlogG= -0.046735 logG= -0.058384 Density= 0.430169 ETOT(band)= -0.448208 trlgG= -0.566092 logG= -0.058384 TDE= -0.331210 logGD-logG0= -0.011583 tlogG= -0.046207 logG= -0.057790 Density= 0.323435 ETOT(band)= -0.335337 trlgG= -0.423187 logG= -0.057790 TDE= -0.331209 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323328 ETOT(band)= -0.334773 trlgG= -0.421466 logG= -0.057056 TDE= -0.330820 logGD-logG0= -0.010969 tlogG= -0.046359 logG= -0.057328 Density= 0.429043 ETOT(band)= -0.447362 trlgG= -0.563518 logG= -0.057328 TDE= -0.330907 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011022 tlogG= -0.045104 logG= -0.056127 Density= 0.323398 ETOT(band)= -0.333967 trlgG= -0.419436 logG= -0.056127 TDE= -0.330514 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011013 tlogG= -0.044151 logG= -0.055164 Density= 0.323611 ETOT(band)= -0.332855 trlgG= -0.417041 logG= -0.055164 TDE= -0.329987 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001719 tlogG= -0.007517 logG= -0.009235 Density= 0.071392 ETOT(band)= -0.074212 trlgG= -0.092924 logG= -0.009235 TDE= -0.055051 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010919 tlogG= -0.044052 logG= -0.054971 Density= 0.430834 ETOT(band)= -0.443642 trlgG= -0.555118 logG= -0.054971 TDE= -0.329921 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005624 tlogG= -0.020971 logG= -0.026596 Density= 0.215974 ETOT(band)= -0.220964 trlgG= -0.275824 logG= -0.026596 TDE= -0.164461 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005395 tlogG= -0.022048 logG= -0.027443 Density= 0.322267 ETOT(band)= -0.333945 trlgG= -0.419199 logG= -0.027443 TDE= -0.165006 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -311.511670046837 eV TrLogG= -392.380489679106 eV Ratio to renormalize= 1.002127829696 rho-rho_expected=-0.046712856302 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 52) Finished k-point number 106 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 9 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.959423733702283 0.929362958416665 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004743 tlogG= -0.023895 logG= -0.028639 Density= 0.105947 ETOT(band)= -0.112732 trlgG= -0.142459 logG= -0.028639 TDE= -0.166249 logGD-logG0= -0.004770 tlogG= -0.023827 logG= -0.028597 Density= 0.106006 ETOT(band)= -0.112694 trlgG= -0.142358 logG= -0.028597 TDE= -0.166218 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.022933 logG= -0.028067 Density= 0.106785 ETOT(band)= -0.112135 trlgG= -0.140954 logG= -0.028067 TDE= -0.165730 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023432 logG= -0.028520 Density= 0.106665 ETOT(band)= -0.112410 trlgG= -0.141721 logG= -0.028520 TDE= -0.165985 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001827 tlogG= -0.007008 logG= -0.008835 Density= 0.036170 ETOT(band)= -0.036776 trlgG= -0.045887 logG= -0.008835 TDE= -0.054951 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002711 tlogG= -0.010464 logG= -0.013175 Density= 0.054329 ETOT(band)= -0.055069 trlgG= -0.068689 logG= -0.013175 TDE= -0.082399 logGD-logG0= -0.001840 tlogG= -0.007314 logG= -0.009154 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035829 ETOT(band)= -0.037155 trlgG= -0.046443 logG= -0.009154 TDE= -0.055019 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005584 tlogG= -0.021798 logG= -0.027382 Density= 0.107733 ETOT(band)= -0.111304 trlgG= -0.139195 logG= -0.027382 TDE= -0.165124 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002822 tlogG= -0.011892 logG= -0.014715 Density= 0.053712 ETOT(band)= -0.056308 trlgG= -0.071261 logG= -0.014715 TDE= -0.083126 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002588 tlogG= -0.011756 logG= -0.014344 Density= 0.053497 ETOT(band)= -0.056204 trlgG= -0.070980 logG= -0.014344 TDE= -0.083109 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002604 tlogG= -0.011373 logG= -0.013977 Density= 0.053689 ETOT(band)= -0.055919 trlgG= -0.070310 logG= -0.013977 TDE= -0.082901 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002667 tlogG= -0.011926 logG= -0.014594 Density= 0.053524 ETOT(band)= -0.056320 trlgG= -0.071286 logG= -0.014594 TDE= -0.083178 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002886 tlogG= -0.011785 logG= -0.014671 Density= 0.054078 ETOT(band)= -0.056130 trlgG= -0.071119 logG= -0.014671 TDE= -0.083209 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005734 tlogG= -0.023136 logG= -0.028870 Density= 0.108029 ETOT(band)= -0.112067 trlgG= -0.141512 logG= -0.028870 TDE= -0.166100 logGD-logG0= -0.001554 tlogG= -0.007986 logG= -0.009540 logGD-logG0= -0.000222 tlogG= -0.000860 logG= -0.001081 Density= 0.035250 ETOT(band)= -0.037599 trlgG= -0.047524 logG= -0.009540 TDE= -0.055427 logGD-logG0= -0.001637 tlogG= -0.007773 logG= -0.009410 Density= 0.035454 ETOT(band)= -0.037463 trlgG= -0.047188 logG= -0.009410 TDE= -0.055323 logGD-logG0= -0.002952 tlogG= -0.011763 logG= -0.014715 logGD-logG0= -0.005535 tlogG= -0.022368 logG= -0.027904 Density= 0.053931 ETOT(band)= -0.056218 trlgG= -0.071182 logG= -0.014715 TDE= -0.083154 logGD-logG0= -0.005792 tlogG= -0.023386 logG= -0.029177 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108069 ETOT(band)= -0.112209 trlgG= -0.141979 logG= -0.029177 TDE= -0.166280 Density= 0.108109 ETOT(band)= -0.111510 trlgG= -0.140037 logG= -0.027904 TDE= -0.165631 Density= 0.004538 ETOT(band)= -0.004571 trlgG= -0.005694 logG= -0.001081 TDE= -0.006858 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005790 tlogG= -0.023545 logG= -0.029336 logGD-logG0= -0.005445 tlogG= -0.023817 logG= -0.029262 Density= 0.108113 ETOT(band)= -0.112275 trlgG= -0.142226 logG= -0.029336 TDE= -0.166390 Density= 0.107264 ETOT(band)= -0.112587 trlgG= -0.142499 logG= -0.029262 TDE= -0.166316 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005608 tlogG= -0.022822 logG= -0.028429 Density= 0.108037 ETOT(band)= -0.111833 trlgG= -0.140845 logG= -0.028429 TDE= -0.165878 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005345 tlogG= -0.022740 logG= -0.028085 Density= 0.107658 ETOT(band)= -0.111801 trlgG= -0.140578 logG= -0.028085 TDE= -0.165767 logGD-logG0= -0.005682 tlogG= -0.023705 logG= -0.029386 Density= 0.107639 ETOT(band)= -0.112507 trlgG= -0.142328 logG= -0.029386 TDE= -0.166207 logGD-logG0= -0.005673 tlogG= -0.023822 logG= -0.029495 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107527 ETOT(band)= -0.112616 trlgG= -0.142558 logG= -0.029495 TDE= -0.166273 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004897 tlogG= -0.023924 logG= -0.028822 Density= 0.106241 ETOT(band)= -0.112705 trlgG= -0.142489 logG= -0.028822 TDE= -0.166241 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.023615 logG= -0.028873 Density= 0.106879 ETOT(band)= -0.112501 trlgG= -0.142012 logG= -0.028873 TDE= -0.166029 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005489 tlogG= -0.023674 logG= -0.029163 Density= 0.107136 ETOT(band)= -0.112557 trlgG= -0.142140 logG= -0.029163 TDE= -0.165994 logGD-logG0= -0.005725 tlogG= -0.023860 logG= -0.029585 logGD-logG0= -0.005782 tlogG= -0.023748 logG= -0.029530 Density= 0.107766 ETOT(band)= -0.112545 trlgG= -0.142520 logG= -0.029530 TDE= -0.166318 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107682 ETOT(band)= -0.112612 trlgG= -0.142606 logG= -0.029585 TDE= -0.166308 logGD-logG0= -0.005049 tlogG= -0.023125 logG= -0.028173 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106639 ETOT(band)= -0.112250 trlgG= -0.141249 logG= -0.028173 TDE= -0.165847 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005917 tlogG= -0.023436 logG= -0.029353 Density= 0.107815 ETOT(band)= -0.112408 trlgG= -0.142236 logG= -0.029353 TDE= -0.166235 logGD-logG0= -0.005312 tlogG= -0.023469 logG= -0.028781 logGD-logG0= -0.005279 tlogG= -0.022701 logG= -0.027980 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107270 ETOT(band)= -0.112334 trlgG= -0.141861 logG= -0.028781 TDE= -0.166163 logGD-logG0= -0.005849 tlogG= -0.023646 logG= -0.029495 Density= 0.107831 ETOT(band)= -0.112494 trlgG= -0.142467 logG= -0.029495 TDE= -0.166332 Density= 0.107209 ETOT(band)= -0.111918 trlgG= -0.140658 logG= -0.027980 TDE= -0.165731 logGD-logG0= -0.005027 tlogG= -0.023592 logG= -0.028619 logGD-logG0= -0.005158 tlogG= -0.023842 logG= -0.029000 Density= 0.106632 ETOT(band)= -0.112660 trlgG= -0.142401 logG= -0.029000 TDE= -0.166167 logGD-logG0= -0.005526 tlogG= -0.022795 logG= -0.028321 Density= 0.107535 ETOT(band)= -0.111972 trlgG= -0.140818 logG= -0.028321 TDE= -0.165711 logGD-logG0= -0.005773 tlogG= -0.023486 logG= -0.029259 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108134 ETOT(band)= -0.112225 trlgG= -0.142109 logG= -0.029259 TDE= -0.166360 logGD-logG0= -0.010750 tlogG= -0.047642 logG= -0.058392 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005597 tlogG= -0.022550 logG= -0.028147 Density= 0.108149 ETOT(band)= -0.111633 trlgG= -0.140417 logG= -0.028147 TDE= -0.165787 Density= 0.214165 ETOT(band)= -0.225248 trlgG= -0.285055 logG= -0.058392 TDE= -0.332643 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106464 ETOT(band)= -0.112543 trlgG= -0.142017 logG= -0.028619 TDE= -0.166081 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005687 tlogG= -0.022949 logG= -0.028636 Density= 0.108091 ETOT(band)= -0.111919 trlgG= -0.141160 logG= -0.028636 TDE= -0.166013 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005669 tlogG= -0.023696 logG= -0.029365 logGD-logG0= -0.005759 tlogG= -0.023258 logG= -0.029018 Density= 0.108096 ETOT(band)= -0.112113 trlgG= -0.141736 logG= -0.029018 TDE= -0.166210 logGD-logG0= -0.005232 tlogG= -0.023433 logG= -0.028665 Density= 0.107345 ETOT(band)= -0.112603 trlgG= -0.142419 logG= -0.029365 TDE= -0.166174 Density= 0.106849 ETOT(band)= -0.112441 trlgG= -0.141911 logG= -0.028665 TDE= -0.166121 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005661 tlogG= -0.023113 logG= -0.028774 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107598 ETOT(band)= -0.112184 trlgG= -0.141377 logG= -0.028774 TDE= -0.165848 logGD-logG0= -0.011257 tlogG= -0.047343 logG= -0.058601 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214558 ETOT(band)= -0.225173 trlgG= -0.284639 logG= -0.058601 TDE= -0.332213 logGD-logG0= -0.010673 tlogG= -0.047541 logG= -0.058213 Density= 0.213734 ETOT(band)= -0.225279 trlgG= -0.284747 logG= -0.058213 TDE= -0.332300 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005839 tlogG= -0.023286 logG= -0.029125 Density= 0.107709 ETOT(band)= -0.112323 trlgG= -0.141872 logG= -0.029125 TDE= -0.166046 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010674 tlogG= -0.045407 logG= -0.056081 logGD-logG0= -0.010450 tlogG= -0.046955 logG= -0.057405 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010121 tlogG= -0.047770 logG= -0.057892 Density= 0.214069 ETOT(band)= -0.224784 trlgG= -0.283827 logG= -0.057405 TDE= -0.332354 Density= 0.213014 ETOT(band)= -0.225343 trlgG= -0.284884 logG= -0.057892 TDE= -0.332403 Density= 0.214197 ETOT(band)= -0.223991 trlgG= -0.281378 logG= -0.056081 TDE= -0.331293 logGD-logG0= -0.010523 tlogG= -0.045481 logG= -0.056005 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.047319 logG= -0.058117 Density= 0.214065 ETOT(band)= -0.225085 trlgG= -0.284222 logG= -0.058117 TDE= -0.332034 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214837 ETOT(band)= -0.223701 trlgG= -0.281255 logG= -0.056005 TDE= -0.331562 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011314 tlogG= -0.047544 logG= -0.058858 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011812 tlogG= -0.047043 logG= -0.058855 Density= 0.215683 ETOT(band)= -0.224885 trlgG= -0.284712 logG= -0.058855 TDE= -0.332589 logGD-logG0= -0.010962 tlogG= -0.047480 logG= -0.058442 Density= 0.214862 ETOT(band)= -0.225222 trlgG= -0.285008 logG= -0.058858 TDE= -0.332475 logGD-logG0= -0.009857 tlogG= -0.047412 logG= -0.057270 Density= 0.212650 ETOT(band)= -0.225192 trlgG= -0.284332 logG= -0.057270 TDE= -0.332293 logGD-logG0= -0.005375 tlogG= -0.023763 logG= -0.029138 Density= 0.214306 ETOT(band)= -0.225197 trlgG= -0.284862 logG= -0.058442 TDE= -0.332469 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106936 ETOT(band)= -0.112643 trlgG= -0.142481 logG= -0.029138 TDE= -0.166260 logGD-logG0= -0.011013 tlogG= -0.046162 logG= -0.057175 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215043 ETOT(band)= -0.224244 trlgG= -0.282533 logG= -0.057175 TDE= -0.331772 logGD-logG0= -0.010804 tlogG= -0.045429 logG= -0.056232 logGD-logG0= -0.010454 tlogG= -0.046889 logG= -0.057343 logGD-logG0= -0.011163 tlogG= -0.047346 logG= -0.058509 Density= 0.214445 ETOT(band)= -0.225168 trlgG= -0.284664 logG= -0.058509 TDE= -0.332273 logGD-logG0= -0.011348 tlogG= -0.046630 logG= -0.057979 Density= 0.214985 ETOT(band)= -0.223764 trlgG= -0.281276 logG= -0.056232 TDE= -0.331429 Density= 0.213526 ETOT(band)= -0.224925 trlgG= -0.283686 logG= -0.057343 TDE= -0.332006 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.046780 logG= -0.057515 Density= 0.215250 ETOT(band)= -0.224576 trlgG= -0.283400 logG= -0.057979 TDE= -0.331937 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011608 tlogG= -0.047225 logG= -0.058834 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214268 ETOT(band)= -0.224737 trlgG= -0.283637 logG= -0.057515 TDE= -0.332152 logGD-logG0= -0.010390 tlogG= -0.047080 logG= -0.057470 Density= 0.213562 ETOT(band)= -0.224949 trlgG= -0.283818 logG= -0.057470 TDE= -0.332029 Density= 0.215546 ETOT(band)= -0.224936 trlgG= -0.284670 logG= -0.058834 TDE= -0.332499 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011345 tlogG= -0.047519 logG= -0.058863 Density= 0.214885 ETOT(band)= -0.225212 trlgG= -0.284969 logG= -0.058863 TDE= -0.332441 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011133 tlogG= -0.047498 logG= -0.058631 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011680 tlogG= -0.046871 logG= -0.058551 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214850 ETOT(band)= -0.225101 trlgG= -0.284812 logG= -0.058631 TDE= -0.332499 Density= 0.215503 ETOT(band)= -0.224782 trlgG= -0.284217 logG= -0.058551 TDE= -0.332308 logGD-logG0= -0.010946 tlogG= -0.046791 logG= -0.057737 logGD-logG0= -0.004908 tlogG= -0.023474 logG= -0.028382 Density= 0.212328 ETOT(band)= -0.225172 trlgG= -0.284170 logG= -0.028382 TDE= -0.166043 Density= 0.214959 ETOT(band)= -0.224581 trlgG= -0.283527 logG= -0.057737 TDE= -0.332162 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011321 tlogG= -0.047084 logG= -0.058405 Density= 0.215266 ETOT(band)= -0.224806 trlgG= -0.284105 logG= -0.058405 TDE= -0.332224 logGD-logG0= -0.010607 tlogG= -0.047605 logG= -0.058212 Density= 0.213723 ETOT(band)= -0.225263 trlgG= -0.284689 logG= -0.058212 TDE= -0.332238 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023783 logG= -0.028735 Density= 0.213043 ETOT(band)= -0.225030 trlgG= -0.283988 logG= -0.028735 TDE= -0.166173 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002738 tlogG= -0.010836 logG= -0.013574 Density= 0.054026 ETOT(band)= -0.055503 trlgG= -0.069391 logG= -0.013574 TDE= -0.082552 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011388 tlogG= -0.047687 logG= -0.059074 logGD-logG0= -0.005580 tlogG= -0.021795 logG= -0.027375 Density= 0.215179 ETOT(band)= -0.225235 trlgG= -0.285161 logG= -0.059074 TDE= -0.332567 Density= 0.108218 ETOT(band)= -0.111081 trlgG= -0.139165 logG= -0.027375 TDE= -0.165342 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004716 tlogG= -0.023969 logG= -0.028686 Density= 0.211823 ETOT(band)= -0.225508 trlgG= -0.285033 logG= -0.028686 TDE= -0.166281 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005437 tlogG= -0.021040 logG= -0.026477 logGD-logG0= -0.005509 tlogG= -0.021526 logG= -0.027035 Density= 0.108404 ETOT(band)= -0.110767 trlgG= -0.138591 logG= -0.027035 TDE= -0.165200 Density= 0.108609 ETOT(band)= -0.110261 trlgG= -0.137610 logG= -0.026477 TDE= -0.164878 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001358 tlogG= -0.005311 logG= -0.006669 Density= 0.081480 ETOT(band)= -0.082672 trlgG= -0.103179 logG= -0.006669 TDE= -0.041257 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005451 tlogG= -0.022227 logG= -0.027678 Density= 0.214112 ETOT(band)= -0.223802 trlgG= -0.280897 logG= -0.027678 TDE= -0.165376 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005588 tlogG= -0.022048 logG= -0.027636 Density= 0.108237 ETOT(band)= -0.111237 trlgG= -0.139592 logG= -0.027636 TDE= -0.165517 logGD-logG0= -0.005512 tlogG= -0.022351 logG= -0.027863 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107550 ETOT(band)= -0.111676 trlgG= -0.140116 logG= -0.027863 TDE= -0.165474 logGD-logG0= -0.001889 tlogG= -0.007108 logG= -0.008997 Density= 0.072187 ETOT(band)= -0.073741 trlgG= -0.092062 logG= -0.008997 TDE= -0.055000 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001724 tlogG= -0.007573 logG= -0.009297 logGD-logG0= -0.005549 tlogG= -0.021679 logG= -0.027228 Density= 0.071461 ETOT(band)= -0.074480 trlgG= -0.093307 logG= -0.009297 TDE= -0.055199 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107874 ETOT(band)= -0.111139 trlgG= -0.138922 logG= -0.027228 TDE= -0.165076 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011055 tlogG= -0.043403 logG= -0.054458 Density= 0.216120 ETOT(band)= -0.222118 trlgG= -0.277845 logG= -0.054458 TDE= -0.330334 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005346 tlogG= -0.022470 logG= -0.027816 Density= 0.214903 ETOT(band)= -0.223120 trlgG= -0.279399 logG= -0.027816 TDE= -0.165421 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001407 tlogG= -0.005688 logG= -0.007095 Density= 0.080546 ETOT(band)= -0.084140 trlgG= -0.106173 logG= -0.007095 TDE= -0.041483 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001383 tlogG= -0.005579 logG= -0.006962 Density= 0.080764 ETOT(band)= -0.083770 trlgG= -0.105300 logG= -0.006962 TDE= -0.041425 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001437 tlogG= -0.005849 logG= -0.007286 Density= 0.080753 ETOT(band)= -0.084346 trlgG= -0.106744 logG= -0.007286 TDE= -0.041578 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001438 tlogG= -0.005887 logG= -0.007325 Density= 0.080979 ETOT(band)= -0.084274 trlgG= -0.106726 logG= -0.007325 TDE= -0.041604 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005794 tlogG= -0.023477 logG= -0.029271 Density= 0.215114 ETOT(band)= -0.224939 trlgG= -0.284610 logG= -0.029271 TDE= -0.166210 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.005778 logG= -0.007205 Density= 0.080561 ETOT(band)= -0.084317 trlgG= -0.106645 logG= -0.007205 TDE= -0.041534 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023861 logG= -0.028784 Density= 0.212515 ETOT(band)= -0.225387 trlgG= -0.284899 logG= -0.028784 TDE= -0.166215 logGD-logG0= -0.005869 tlogG= -0.023552 logG= -0.029422 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215458 ETOT(band)= -0.225020 trlgG= -0.284912 logG= -0.029422 TDE= -0.166342 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005836 tlogG= -0.023568 logG= -0.029404 Density= 0.216128 ETOT(band)= -0.224633 trlgG= -0.284558 logG= -0.029404 TDE= -0.166379 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005497 tlogG= -0.023625 logG= -0.029122 logGD-logG0= -0.005268 tlogG= -0.023723 logG= -0.028991 Density= 0.215275 ETOT(band)= -0.224933 trlgG= -0.284625 logG= -0.029122 TDE= -0.166204 logGD-logG0= -0.005210 tlogG= -0.023134 logG= -0.028344 Density= 0.213254 ETOT(band)= -0.224829 trlgG= -0.283375 logG= -0.028344 TDE= -0.165859 Density= 0.321206 ETOT(band)= -0.337789 trlgG= -0.427381 logG= -0.028991 TDE= -0.166304 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001581 tlogG= -0.007914 logG= -0.009495 logGD-logG0= -0.005172 tlogG= -0.023829 logG= -0.029000 Density= 0.213576 ETOT(band)= -0.225131 trlgG= -0.284366 logG= -0.029000 TDE= -0.166153 Density= 0.070775 ETOT(band)= -0.075016 trlgG= -0.094601 logG= -0.009495 TDE= -0.055396 logGD-logG0= -0.005182 tlogG= -0.023163 logG= -0.028345 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005743 tlogG= -0.023155 logG= -0.028898 Density= 0.216001 ETOT(band)= -0.224045 trlgG= -0.282704 logG= -0.028898 TDE= -0.166045 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005429 tlogG= -0.023778 logG= -0.029207 Density= 0.214139 ETOT(band)= -0.225196 trlgG= -0.284537 logG= -0.029207 TDE= -0.166140 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213943 ETOT(band)= -0.224623 trlgG= -0.283289 logG= -0.028345 TDE= -0.166028 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005624 tlogG= -0.023359 logG= -0.028983 Density= 0.215011 ETOT(band)= -0.224578 trlgG= -0.283556 logG= -0.028983 TDE= -0.166028 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005497 tlogG= -0.023863 logG= -0.029360 Density= 0.322121 ETOT(band)= -0.337867 trlgG= -0.427621 logG= -0.029360 TDE= -0.166330 logGD-logG0= -0.011690 tlogG= -0.046951 logG= -0.058641 Density= 0.324026 ETOT(band)= -0.336857 trlgG= -0.426372 logG= -0.058641 TDE= -0.332618 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023675 logG= -0.028892 Density= 0.213319 ETOT(band)= -0.225263 trlgG= -0.284609 logG= -0.028892 TDE= -0.166110 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023716 logG= -0.028962 Density= 0.213873 ETOT(band)= -0.225210 trlgG= -0.284819 logG= -0.028962 TDE= -0.166294 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023170 logG= -0.028371 Density= 0.321283 ETOT(band)= -0.336929 trlgG= -0.425178 logG= -0.028371 TDE= -0.166035 logGD-logG0= -0.011564 tlogG= -0.046621 logG= -0.058186 Density= 0.323834 ETOT(band)= -0.336535 trlgG= -0.425195 logG= -0.058186 TDE= -0.332288 logGD-logG0= -0.005749 tlogG= -0.023823 logG= -0.029572 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215473 ETOT(band)= -0.225140 trlgG= -0.285103 logG= -0.029572 TDE= -0.166310 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005604 tlogG= -0.022869 logG= -0.028473 logGD-logG0= -0.005419 tlogG= -0.023217 logG= -0.028636 Density= 0.214701 ETOT(band)= -0.224248 trlgG= -0.282224 logG= -0.028636 TDE= -0.165801 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216036 ETOT(band)= -0.223549 trlgG= -0.281322 logG= -0.028473 TDE= -0.165819 logGD-logG0= -0.010986 tlogG= -0.045520 logG= -0.056506 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005610 tlogG= -0.023402 logG= -0.029012 Density= 0.214937 ETOT(band)= -0.224586 trlgG= -0.283117 logG= -0.029012 TDE= -0.165845 Density= 0.323775 ETOT(band)= -0.335151 trlgG= -0.421284 logG= -0.056506 TDE= -0.331463 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010642 tlogG= -0.046259 logG= -0.056901 Density= 0.322422 ETOT(band)= -0.336035 trlgG= -0.423164 logG= -0.056901 TDE= -0.331961 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011240 tlogG= -0.046205 logG= -0.057445 logGD-logG0= -0.005811 tlogG= -0.023659 logG= -0.029471 Density= 0.323344 ETOT(band)= -0.337430 trlgG= -0.427124 logG= -0.029471 TDE= -0.166216 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323716 ETOT(band)= -0.335966 trlgG= -0.423399 logG= -0.057445 TDE= -0.331838 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011417 tlogG= -0.047595 logG= -0.059012 Density= 0.322895 ETOT(band)= -0.337675 trlgG= -0.427333 logG= -0.059012 TDE= -0.332512 logGD-logG0= -0.005455 tlogG= -0.023119 logG= -0.028573 Density= 0.321385 ETOT(band)= -0.337329 trlgG= -0.425932 logG= -0.028573 TDE= -0.165946 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005827 tlogG= -0.023538 logG= -0.029365 Density= 0.216165 ETOT(band)= -0.224552 trlgG= -0.284379 logG= -0.029365 TDE= -0.166364 logGD-logG0= -0.005836 tlogG= -0.023599 logG= -0.029435 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215447 ETOT(band)= -0.224940 trlgG= -0.284586 logG= -0.029435 TDE= -0.166177 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004853 tlogG= -0.023611 logG= -0.028464 Density= 0.212852 ETOT(band)= -0.224809 trlgG= -0.283270 logG= -0.028464 TDE= -0.166116 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005631 tlogG= -0.023843 logG= -0.029474 logGD-logG0= -0.001342 tlogG= -0.005199 logG= -0.006541 logGD-logG0= -0.010629 tlogG= -0.047280 logG= -0.057909 Density= 0.322698 ETOT(band)= -0.337842 trlgG= -0.427726 logG= -0.029474 TDE= -0.166297 logGD-logG0= -0.005511 tlogG= -0.021298 logG= -0.026809 Density= 0.427556 ETOT(band)= -0.450397 trlgG= -0.569261 logG= -0.057909 TDE= -0.332415 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162496 ETOT(band)= -0.166730 trlgG= -0.209320 logG= -0.026809 TDE= -0.165042 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062449 ETOT(band)= -0.065080 trlgG= -0.081783 logG= -0.006541 TDE= -0.041177 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005484 tlogG= -0.023850 logG= -0.029334 Density= 0.214535 ETOT(band)= -0.225262 trlgG= -0.285030 logG= -0.029334 TDE= -0.166319 logGD-logG0= -0.011052 tlogG= -0.047561 logG= -0.058614 Density= 0.428884 ETOT(band)= -0.450461 trlgG= -0.569693 logG= -0.058614 TDE= -0.332499 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010746 tlogG= -0.047341 logG= -0.058087 Density= 0.428685 ETOT(band)= -0.450193 trlgG= -0.569352 logG= -0.058087 TDE= -0.332488 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.047613 logG= -0.058284 logGD-logG0= -0.005813 tlogG= -0.023473 logG= -0.029286 Density= 0.427877 ETOT(band)= -0.450354 trlgG= -0.568923 logG= -0.058284 TDE= -0.332222 Density= 0.215225 ETOT(band)= -0.224808 trlgG= -0.283972 logG= -0.029286 TDE= -0.166018 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005835 tlogG= -0.023371 logG= -0.029206 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216068 ETOT(band)= -0.224377 trlgG= -0.283755 logG= -0.029206 TDE= -0.166243 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001376 tlogG= -0.005449 logG= -0.006825 Density= 0.081131 ETOT(band)= -0.083238 trlgG= -0.104150 logG= -0.006825 TDE= -0.041348 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011121 tlogG= -0.047674 logG= -0.058795 Density= 0.429586 ETOT(band)= -0.450465 trlgG= -0.570115 logG= -0.058795 TDE= -0.332595 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010183 tlogG= -0.046587 logG= -0.056769 Density= 0.427507 ETOT(band)= -0.448698 trlgG= -0.564439 logG= -0.056769 TDE= -0.331847 logGD-logG0= -0.001788 tlogG= -0.006916 logG= -0.008704 Density= 0.040806 ETOT(band)= -0.041197 trlgG= -0.051341 logG= -0.008704 TDE= -0.054891 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010214 tlogG= -0.047531 logG= -0.057745 Density= 0.426156 ETOT(band)= -0.450592 trlgG= -0.569450 logG= -0.057745 TDE= -0.332293 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010738 tlogG= -0.047235 logG= -0.057973 Density= 0.428178 ETOT(band)= -0.449827 trlgG= -0.567920 logG= -0.057973 TDE= -0.332164 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009696 tlogG= -0.047831 logG= -0.057527 Density= 0.424950 ETOT(band)= -0.450617 trlgG= -0.569292 logG= -0.057527 TDE= -0.332489 logGD-logG0= -0.011447 tlogG= -0.046930 logG= -0.058377 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430115 ETOT(band)= -0.449506 trlgG= -0.567455 logG= -0.058377 TDE= -0.332005 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011096 tlogG= -0.047495 logG= -0.058591 Density= 0.428773 ETOT(band)= -0.450426 trlgG= -0.569542 logG= -0.058591 TDE= -0.332348 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011540 tlogG= -0.047460 logG= -0.059000 Density= 0.430882 ETOT(band)= -0.450060 trlgG= -0.569591 logG= -0.059000 TDE= -0.332480 logGD-logG0= -0.010529 tlogG= -0.046213 logG= -0.056743 Density= 0.427644 ETOT(band)= -0.449323 trlgG= -0.566370 logG= -0.056743 TDE= -0.331898 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011053 tlogG= -0.046672 logG= -0.057725 Density= 0.429526 ETOT(band)= -0.448976 trlgG= -0.566001 logG= -0.057725 TDE= -0.331880 logGD-logG0= -0.011620 tlogG= -0.047174 logG= -0.058793 Density= 0.430693 ETOT(band)= -0.449827 trlgG= -0.568787 logG= -0.058793 TDE= -0.332263 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011085 tlogG= -0.047128 logG= -0.058213 Density= 0.429615 ETOT(band)= -0.449520 trlgG= -0.567784 logG= -0.058213 TDE= -0.332266 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010753 tlogG= -0.046173 logG= -0.056925 Density= 0.429180 ETOT(band)= -0.448207 trlgG= -0.563879 logG= -0.056925 TDE= -0.331671 logGD-logG0= -0.010179 tlogG= -0.047624 logG= -0.057802 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426718 ETOT(band)= -0.450199 trlgG= -0.568463 logG= -0.057802 TDE= -0.332324 logGD-logG0= -0.011408 tlogG= -0.047312 logG= -0.058719 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011274 tlogG= -0.047575 logG= -0.058849 Density= 0.429690 ETOT(band)= -0.450324 trlgG= -0.569839 logG= -0.058849 TDE= -0.332491 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430335 ETOT(band)= -0.449860 trlgG= -0.568707 logG= -0.058719 TDE= -0.332310 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.022240 logG= -0.027582 Density= 0.214862 ETOT(band)= -0.223391 trlgG= -0.280441 logG= -0.027582 TDE= -0.165472 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005523 tlogG= -0.022427 logG= -0.027950 Density= 0.216164 ETOT(band)= -0.222845 trlgG= -0.279695 logG= -0.027950 TDE= -0.165560 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.022256 logG= -0.027621 Density= 0.322605 ETOT(band)= -0.335144 trlgG= -0.421030 logG= -0.027621 TDE= -0.165483 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005309 tlogG= -0.022900 logG= -0.028209 Density= 0.214630 ETOT(band)= -0.223768 trlgG= -0.281007 logG= -0.028209 TDE= -0.165670 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010965 tlogG= -0.044560 logG= -0.055525 Density= 0.323982 ETOT(band)= -0.334028 trlgG= -0.418853 logG= -0.055525 TDE= -0.330934 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005576 tlogG= -0.021874 logG= -0.027450 Density= 0.216430 ETOT(band)= -0.221982 trlgG= -0.277881 logG= -0.027450 TDE= -0.165296 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005586 tlogG= -0.021332 logG= -0.026918 Density= 0.216848 ETOT(band)= -0.221021 trlgG= -0.276004 logG= -0.026918 TDE= -0.165038 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005549 tlogG= -0.021212 logG= -0.026761 Density= 0.216215 ETOT(band)= -0.221736 trlgG= -0.277038 logG= -0.026761 TDE= -0.164967 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010859 tlogG= -0.044472 logG= -0.055330 Density= 0.431303 ETOT(band)= -0.445212 trlgG= -0.557570 logG= -0.055330 TDE= -0.330878 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -312.640661018712 eV TrLogG= -394.293635440128 eV Ratio to renormalize= 1.001018372639 rho-rho_expected=-0.022381405445 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 46) Finished k-point number 94 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 73) Finished k-point number 148 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962764335622426 0.936168370342634 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002478 tlogG= -0.012440 logG= -0.014917 Density= 0.053779 ETOT(band)= -0.057408 trlgG= -0.072848 logG= -0.014917 TDE= -0.084543 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002494 tlogG= -0.012021 logG= -0.014515 Density= 0.053975 ETOT(band)= -0.057095 trlgG= -0.072114 logG= -0.014515 TDE= -0.084309 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005562 tlogG= -0.024784 logG= -0.030346 Density= 0.107804 ETOT(band)= -0.114928 trlgG= -0.145818 logG= -0.030346 TDE= -0.168819 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024467 logG= -0.029751 logGD-logG0= -0.005216 tlogG= -0.024014 logG= -0.029230 Density= 0.108881 ETOT(band)= -0.113900 trlgG= -0.144111 logG= -0.029230 TDE= -0.168761 Density= 0.108839 ETOT(band)= -0.114204 trlgG= -0.144918 logG= -0.029751 TDE= -0.169027 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.024918 logG= -0.030181 Density= 0.107202 ETOT(band)= -0.115077 trlgG= -0.146026 logG= -0.030181 TDE= -0.168894 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024802 logG= -0.029811 Density= 0.107396 ETOT(band)= -0.114854 trlgG= -0.145658 logG= -0.029811 TDE= -0.168992 logGD-logG0= -0.005056 tlogG= -0.024001 logG= -0.029057 Density= 0.107762 ETOT(band)= -0.114279 trlgG= -0.144281 logG= -0.029057 TDE= -0.168550 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002566 tlogG= -0.012625 logG= -0.015191 Density= 0.053837 ETOT(band)= -0.057522 trlgG= -0.073169 logG= -0.015191 TDE= -0.084619 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002659 tlogG= -0.012587 logG= -0.015246 Density= 0.054467 ETOT(band)= -0.057287 trlgG= -0.073037 logG= -0.015246 TDE= -0.084744 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000205 tlogG= -0.000912 logG= -0.001117 Density= 0.004569 ETOT(band)= -0.004659 trlgG= -0.005830 logG= -0.001117 TDE= -0.006973 logGD-logG0= -0.002743 tlogG= -0.012573 logG= -0.015316 Density= 0.054066 ETOT(band)= -0.057493 trlgG= -0.073145 logG= -0.015316 TDE= -0.084583 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005509 tlogG= -0.025054 logG= -0.030563 Density= 0.108043 ETOT(band)= -0.114973 trlgG= -0.146173 logG= -0.030563 TDE= -0.169075 logGD-logG0= -0.001632 tlogG= -0.008146 logG= -0.009778 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035595 ETOT(band)= -0.038278 trlgG= -0.048379 logG= -0.009778 TDE= -0.056215 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001547 tlogG= -0.008376 logG= -0.009923 Density= 0.035362 ETOT(band)= -0.038440 trlgG= -0.048758 logG= -0.009923 TDE= -0.056334 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005319 tlogG= -0.024833 logG= -0.030153 Density= 0.108858 ETOT(band)= -0.114413 trlgG= -0.145539 logG= -0.030153 TDE= -0.169255 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005489 tlogG= -0.024797 logG= -0.030286 Density= 0.108441 ETOT(band)= -0.114652 trlgG= -0.145745 logG= -0.030286 TDE= -0.169121 logGD-logG0= -0.005544 tlogG= -0.025164 logG= -0.030708 logGD-logG0= -0.005332 tlogG= -0.024668 logG= -0.030000 logGD-logG0= -0.010355 tlogG= -0.047896 logG= -0.058252 Density= 0.108259 ETOT(band)= -0.114983 trlgG= -0.146415 logG= -0.030708 TDE= -0.169279 logGD-logG0= -0.004740 tlogG= -0.025048 logG= -0.029789 Density= 0.106341 ETOT(band)= -0.115225 trlgG= -0.146116 logG= -0.029789 TDE= -0.168950 logGD-logG0= -0.005218 tlogG= -0.023753 logG= -0.028971 Density= 0.108822 ETOT(band)= -0.113773 trlgG= -0.143707 logG= -0.028971 TDE= -0.168587 logGD-logG0= -0.002722 tlogG= -0.012584 logG= -0.015306 Density= 0.108779 ETOT(band)= -0.114366 trlgG= -0.145307 logG= -0.030000 TDE= -0.169136 logGD-logG0= -0.005286 tlogG= -0.024247 logG= -0.029533 Density= 0.054309 ETOT(band)= -0.057387 trlgG= -0.073134 logG= -0.015306 TDE= -0.084703 Density= 0.215301 ETOT(band)= -0.228713 trlgG= -0.288630 logG= -0.058252 TDE= -0.336920 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108769 ETOT(band)= -0.114116 trlgG= -0.144586 logG= -0.029533 TDE= -0.168877 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.024980 logG= -0.030324 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108834 ETOT(band)= -0.114519 trlgG= -0.145808 logG= -0.030324 TDE= -0.169341 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.024973 logG= -0.029742 Density= 0.106403 ETOT(band)= -0.115181 trlgG= -0.146003 logG= -0.029742 TDE= -0.168914 logGD-logG0= -0.005336 tlogG= -0.025154 logG= -0.030491 Density= 0.108886 ETOT(band)= -0.114592 trlgG= -0.146071 logG= -0.030491 TDE= -0.169463 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.025046 logG= -0.029988 logGD-logG0= -0.005273 tlogG= -0.025185 logG= -0.030459 logGD-logG0= -0.005377 tlogG= -0.024658 logG= -0.030034 Density= 0.107490 ETOT(band)= -0.114882 trlgG= -0.145457 logG= -0.030034 TDE= -0.168614 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106729 ETOT(band)= -0.115156 trlgG= -0.146079 logG= -0.029988 TDE= -0.168905 Density= 0.107942 ETOT(band)= -0.114967 trlgG= -0.146212 logG= -0.030459 TDE= -0.169169 logGD-logG0= -0.005528 tlogG= -0.025055 logG= -0.030583 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.024806 logG= -0.029930 Density= 0.108378 ETOT(band)= -0.114861 trlgG= -0.146218 logG= -0.030583 TDE= -0.169266 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107906 ETOT(band)= -0.114702 trlgG= -0.145534 logG= -0.029930 TDE= -0.169001 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005508 tlogG= -0.025299 logG= -0.030807 Density= 0.108440 ETOT(band)= -0.114978 trlgG= -0.146584 logG= -0.030807 TDE= -0.169438 logGD-logG0= -0.005477 tlogG= -0.025261 logG= -0.030738 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.047964 logG= -0.058412 Density= 0.108526 ETOT(band)= -0.114900 trlgG= -0.146475 logG= -0.030738 TDE= -0.169441 logGD-logG0= -0.005323 tlogG= -0.025083 logG= -0.030406 logGD-logG0= -0.005057 tlogG= -0.024215 logG= -0.029272 Density= 0.107118 ETOT(band)= -0.114658 trlgG= -0.144763 logG= -0.029272 TDE= -0.168498 Density= 0.108907 ETOT(band)= -0.114534 trlgG= -0.145936 logG= -0.030406 TDE= -0.169423 logGD-logG0= -0.005084 tlogG= -0.024680 logG= -0.029764 Density= 0.216246 ETOT(band)= -0.228408 trlgG= -0.288401 logG= -0.058412 TDE= -0.336998 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106955 ETOT(band)= -0.114979 trlgG= -0.145586 logG= -0.029764 TDE= -0.168748 logGD-logG0= -0.005168 tlogG= -0.024004 logG= -0.029172 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108306 ETOT(band)= -0.114114 trlgG= -0.144125 logG= -0.029172 TDE= -0.168548 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.023584 logG= -0.028893 Density= 0.108187 ETOT(band)= -0.113989 trlgG= -0.143616 logG= -0.028893 TDE= -0.168260 logGD-logG0= -0.005148 tlogG= -0.024004 logG= -0.029153 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107276 ETOT(band)= -0.114530 trlgG= -0.144455 logG= -0.029153 TDE= -0.168388 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005460 tlogG= -0.025069 logG= -0.030529 logGD-logG0= -0.005386 tlogG= -0.024040 logG= -0.029426 Density= 0.108566 ETOT(band)= -0.114744 trlgG= -0.146132 logG= -0.030529 TDE= -0.169328 logGD-logG0= -0.005169 tlogG= -0.025159 logG= -0.030328 Density= 0.107550 ETOT(band)= -0.115048 trlgG= -0.146252 logG= -0.030328 TDE= -0.169145 Density= 0.108196 ETOT(band)= -0.114288 trlgG= -0.144432 logG= -0.029426 TDE= -0.168547 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005502 tlogG= -0.024410 logG= -0.029912 Density= 0.108299 ETOT(band)= -0.114507 trlgG= -0.145169 logG= -0.029912 TDE= -0.168849 logGD-logG0= -0.010359 tlogG= -0.050421 logG= -0.060780 Density= 0.215445 ETOT(band)= -0.230041 trlgG= -0.292561 logG= -0.060780 TDE= -0.338394 logGD-logG0= -0.009925 tlogG= -0.049639 logG= -0.059564 Density= 0.213602 ETOT(band)= -0.230081 trlgG= -0.291481 logG= -0.059564 TDE= -0.337618 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010233 tlogG= -0.049403 logG= -0.059636 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214624 ETOT(band)= -0.229741 trlgG= -0.291164 logG= -0.059636 TDE= -0.337735 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023200 logG= -0.028384 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108923 ETOT(band)= -0.113319 trlgG= -0.142735 logG= -0.028384 TDE= -0.168251 logGD-logG0= -0.005453 tlogG= -0.025238 logG= -0.030692 Density= 0.108592 ETOT(band)= -0.114841 trlgG= -0.146400 logG= -0.030692 TDE= -0.169445 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010103 tlogG= -0.048060 logG= -0.058163 Density= 0.216020 ETOT(band)= -0.228382 trlgG= -0.288443 logG= -0.058163 TDE= -0.337178 logGD-logG0= -0.011052 tlogG= -0.049938 logG= -0.060990 Density= 0.215943 ETOT(band)= -0.229911 trlgG= -0.292113 logG= -0.060990 TDE= -0.337982 logGD-logG0= -0.010300 tlogG= -0.049944 logG= -0.060244 logGD-logG0= -0.010025 tlogG= -0.049676 logG= -0.059701 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214115 ETOT(band)= -0.230190 trlgG= -0.291944 logG= -0.060244 TDE= -0.337655 Density= 0.215232 ETOT(band)= -0.229576 trlgG= -0.291270 logG= -0.059701 TDE= -0.338077 logGD-logG0= -0.011014 tlogG= -0.050254 logG= -0.061267 Density= 0.216287 ETOT(band)= -0.229961 trlgG= -0.292581 logG= -0.061267 TDE= -0.338343 logGD-logG0= -0.010494 tlogG= -0.050094 logG= -0.060588 Density= 0.214960 ETOT(band)= -0.230083 trlgG= -0.292275 logG= -0.060588 TDE= -0.338060 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010849 tlogG= -0.050179 logG= -0.061028 Density= 0.216272 ETOT(band)= -0.229831 trlgG= -0.292199 logG= -0.061028 TDE= -0.338194 logGD-logG0= -0.011074 tlogG= -0.050205 logG= -0.061279 Density= 0.216328 ETOT(band)= -0.229947 trlgG= -0.292594 logG= -0.061279 TDE= -0.338365 logGD-logG0= -0.010584 tlogG= -0.049189 logG= -0.059773 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214716 ETOT(band)= -0.229734 trlgG= -0.290928 logG= -0.059773 TDE= -0.337407 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010608 tlogG= -0.050221 logG= -0.060830 Density= 0.215638 ETOT(band)= -0.229960 trlgG= -0.292305 logG= -0.060830 TDE= -0.338184 logGD-logG0= -0.010962 tlogG= -0.049936 logG= -0.060899 logGD-logG0= -0.010959 tlogG= -0.049511 logG= -0.060471 Density= 0.215358 ETOT(band)= -0.229836 trlgG= -0.291493 logG= -0.060471 TDE= -0.337592 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216990 ETOT(band)= -0.229453 trlgG= -0.292008 logG= -0.060899 TDE= -0.338487 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007453 logG= -0.009145 Density= 0.036404 ETOT(band)= -0.037503 trlgG= -0.047028 logG= -0.009145 TDE= -0.055898 logGD-logG0= -0.010908 tlogG= -0.049990 logG= -0.060898 Density= 0.215815 ETOT(band)= -0.229911 trlgG= -0.292055 logG= -0.060898 TDE= -0.337953 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002508 tlogG= -0.011123 logG= -0.013631 logGD-logG0= -0.010729 tlogG= -0.049856 logG= -0.060585 logGD-logG0= -0.010725 tlogG= -0.048704 logG= -0.059428 Density= 0.214970 ETOT(band)= -0.230052 trlgG= -0.292026 logG= -0.060585 TDE= -0.337819 logGD-logG0= -0.011046 tlogG= -0.049711 logG= -0.060757 Density= 0.216721 ETOT(band)= -0.229491 trlgG= -0.291782 logG= -0.060757 TDE= -0.338270 Density= 0.216392 ETOT(band)= -0.228898 trlgG= -0.289745 logG= -0.059428 TDE= -0.337398 Density= 0.054690 ETOT(band)= -0.056149 trlgG= -0.070379 logG= -0.013631 TDE= -0.083811 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011095 tlogG= -0.050417 logG= -0.061511 logGD-logG0= -0.010951 tlogG= -0.050265 logG= -0.061216 Density= 0.217053 ETOT(band)= -0.229627 trlgG= -0.292521 logG= -0.061216 TDE= -0.338714 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216669 ETOT(band)= -0.229968 trlgG= -0.292989 logG= -0.061511 TDE= -0.338696 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010901 tlogG= -0.050322 logG= -0.061223 Density= 0.217197 ETOT(band)= -0.229566 trlgG= -0.292533 logG= -0.061223 TDE= -0.338791 logGD-logG0= -0.010641 tlogG= -0.049400 logG= -0.060042 Density= 0.216327 ETOT(band)= -0.229268 trlgG= -0.290759 logG= -0.060042 TDE= -0.337767 logGD-logG0= -0.005142 tlogG= -0.024511 logG= -0.029652 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107200 ETOT(band)= -0.114811 trlgG= -0.145221 logG= -0.029652 TDE= -0.168617 logGD-logG0= -0.010354 tlogG= -0.049463 logG= -0.059817 Density= 0.215512 ETOT(band)= -0.229482 trlgG= -0.291004 logG= -0.059817 TDE= -0.337833 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011024 tlogG= -0.049264 logG= -0.060288 Density= 0.216680 ETOT(band)= -0.229237 trlgG= -0.291051 logG= -0.060288 TDE= -0.337988 logGD-logG0= -0.002628 tlogG= -0.011442 logG= -0.014070 Density= 0.054351 ETOT(band)= -0.056630 trlgG= -0.071174 logG= -0.014070 TDE= -0.083999 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005106 tlogG= -0.022908 logG= -0.028014 Density= 0.109122 ETOT(band)= -0.112978 trlgG= -0.142097 logG= -0.028014 TDE= -0.168082 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005032 tlogG= -0.022371 logG= -0.027404 Density= 0.109329 ETOT(band)= -0.112433 trlgG= -0.141016 logG= -0.027404 TDE= -0.167714 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005182 tlogG= -0.023483 logG= -0.028665 Density= 0.108963 ETOT(band)= -0.113479 trlgG= -0.143189 logG= -0.028665 TDE= -0.168445 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005379 tlogG= -0.023017 logG= -0.028397 Density= 0.108348 ETOT(band)= -0.113588 trlgG= -0.142804 logG= -0.028397 TDE= -0.168023 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005327 tlogG= -0.022900 logG= -0.028228 Density= 0.108502 ETOT(band)= -0.113408 trlgG= -0.142512 logG= -0.028228 TDE= -0.167976 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001830 tlogG= -0.007665 logG= -0.009495 Density= 0.036020 ETOT(band)= -0.037925 trlgG= -0.047656 logG= -0.009495 TDE= -0.055985 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010506 tlogG= -0.045951 logG= -0.056456 Density= 0.217445 ETOT(band)= -0.226621 trlgG= -0.284992 logG= -0.056456 TDE= -0.336138 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001284 tlogG= -0.005944 logG= -0.007227 Density= 0.081234 ETOT(band)= -0.085507 trlgG= -0.108014 logG= -0.007227 TDE= -0.042162 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001304 tlogG= -0.006064 logG= -0.007369 Density= 0.081014 ETOT(band)= -0.085911 trlgG= -0.108971 logG= -0.007369 TDE= -0.042231 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.025048 logG= -0.030401 Density= 0.215450 ETOT(band)= -0.229957 trlgG= -0.291965 logG= -0.030401 TDE= -0.169014 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.024650 logG= -0.030035 logGD-logG0= -0.005352 tlogG= -0.024231 logG= -0.029583 Density= 0.217485 ETOT(band)= -0.228109 trlgG= -0.288778 logG= -0.029583 TDE= -0.168827 Density= 0.217489 ETOT(band)= -0.228638 trlgG= -0.290277 logG= -0.030035 TDE= -0.169089 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.024943 logG= -0.030062 Density= 0.214444 ETOT(band)= -0.230102 trlgG= -0.292012 logG= -0.030062 TDE= -0.168993 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.024500 logG= -0.029459 Density= 0.215042 ETOT(band)= -0.229424 trlgG= -0.290723 logG= -0.029459 TDE= -0.168875 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023493 logG= -0.028616 Density= 0.216018 ETOT(band)= -0.228058 trlgG= -0.287579 logG= -0.028616 TDE= -0.168253 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001320 tlogG= -0.006166 logG= -0.007485 Density= 0.081064 ETOT(band)= -0.086091 trlgG= -0.109471 logG= -0.007485 TDE= -0.042291 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.008298 logG= -0.009873 Density= 0.071038 ETOT(band)= -0.076664 trlgG= -0.097010 logG= -0.009873 TDE= -0.056297 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001326 tlogG= -0.006244 logG= -0.007570 Density= 0.081299 ETOT(band)= -0.086107 trlgG= -0.109580 logG= -0.007570 TDE= -0.042341 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.024591 logG= -0.029503 Density= 0.213160 ETOT(band)= -0.230108 trlgG= -0.291393 logG= -0.029503 TDE= -0.168716 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004853 tlogG= -0.024741 logG= -0.029594 Density= 0.213756 ETOT(band)= -0.229677 trlgG= -0.290384 logG= -0.029594 TDE= -0.168798 logGD-logG0= -0.001240 tlogG= -0.005523 logG= -0.006764 Density= 0.062746 ETOT(band)= -0.066456 trlgG= -0.083849 logG= -0.006764 TDE= -0.041878 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.025238 logG= -0.030536 Density= 0.215900 ETOT(band)= -0.230020 trlgG= -0.292526 logG= -0.030536 TDE= -0.169190 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004713 tlogG= -0.025128 logG= -0.029841 Density= 0.212600 ETOT(band)= -0.230505 trlgG= -0.292361 logG= -0.029841 TDE= -0.168987 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.006286 logG= -0.007612 Density= 0.081552 ETOT(band)= -0.086020 trlgG= -0.109634 logG= -0.007612 TDE= -0.042369 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005581 tlogG= -0.024889 logG= -0.030469 Density= 0.216677 ETOT(band)= -0.229487 trlgG= -0.291771 logG= -0.030469 TDE= -0.169117 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.048739 logG= -0.059010 Density= 0.429624 ETOT(band)= -0.458238 trlgG= -0.578750 logG= -0.059010 TDE= -0.337167 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.025190 logG= -0.030603 Density= 0.216955 ETOT(band)= -0.229723 trlgG= -0.292669 logG= -0.030603 TDE= -0.169439 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.022662 logG= -0.027768 Density= 0.163587 ETOT(band)= -0.170091 trlgG= -0.214714 logG= -0.027768 TDE= -0.167908 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005386 tlogG= -0.024975 logG= -0.030360 Density= 0.217589 ETOT(band)= -0.228994 trlgG= -0.291405 logG= -0.030360 TDE= -0.169312 logGD-logG0= -0.005439 tlogG= -0.025002 logG= -0.030442 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216545 ETOT(band)= -0.229650 trlgG= -0.292208 logG= -0.030442 TDE= -0.169296 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048681 logG= -0.059173 Density= 0.431640 ETOT(band)= -0.457575 trlgG= -0.578297 logG= -0.059173 TDE= -0.337311 logGD-logG0= -0.005463 tlogG= -0.024671 logG= -0.030134 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216372 ETOT(band)= -0.229271 trlgG= -0.291049 logG= -0.030134 TDE= -0.169056 logGD-logG0= -0.001653 tlogG= -0.007345 logG= -0.008999 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.041083 ETOT(band)= -0.041995 trlgG= -0.052583 logG= -0.008999 TDE= -0.055823 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005309 tlogG= -0.024001 logG= -0.029310 Density= 0.215842 ETOT(band)= -0.228438 trlgG= -0.288087 logG= -0.029310 TDE= -0.168435 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005500 tlogG= -0.025290 logG= -0.030790 Density= 0.216990 ETOT(band)= -0.229858 trlgG= -0.293033 logG= -0.030790 TDE= -0.169442 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.025195 logG= -0.030574 Density= 0.217670 ETOT(band)= -0.229278 trlgG= -0.292280 logG= -0.030574 TDE= -0.169466 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.025104 logG= -0.030166 Density= 0.323094 ETOT(band)= -0.344983 trlgG= -0.438634 logG= -0.030166 TDE= -0.169178 logGD-logG0= -0.005372 tlogG= -0.025157 logG= -0.030528 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217706 ETOT(band)= -0.229185 trlgG= -0.292071 logG= -0.030528 TDE= -0.169445 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010561 tlogG= -0.046989 logG= -0.057550 logGD-logG0= -0.005540 tlogG= -0.025089 logG= -0.030628 Density= 0.216933 ETOT(band)= -0.229629 trlgG= -0.292422 logG= -0.030628 TDE= -0.169287 Density= 0.326060 ETOT(band)= -0.340838 trlgG= -0.429551 logG= -0.057550 TDE= -0.336716 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010703 tlogG= -0.047995 logG= -0.058699 logGD-logG0= -0.005347 tlogG= -0.024953 logG= -0.030300 Density= 0.216733 ETOT(band)= -0.229638 trlgG= -0.292207 logG= -0.030300 TDE= -0.169021 Density= 0.325875 ETOT(band)= -0.342004 trlgG= -0.432327 logG= -0.058699 TDE= -0.337331 logGD-logG0= -0.004998 tlogG= -0.024893 logG= -0.029891 Density= 0.214083 ETOT(band)= -0.229863 trlgG= -0.291049 logG= -0.029891 TDE= -0.168828 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.024892 logG= -0.030177 Density= 0.214777 ETOT(band)= -0.229916 trlgG= -0.291302 logG= -0.030177 TDE= -0.168758 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011066 tlogG= -0.050372 logG= -0.061438 Density= 0.325129 ETOT(band)= -0.344752 trlgG= -0.439092 logG= -0.061438 TDE= -0.338695 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.024976 logG= -0.029947 Density= 0.213485 ETOT(band)= -0.230290 trlgG= -0.292072 logG= -0.029947 TDE= -0.168875 logGD-logG0= -0.005321 tlogG= -0.025245 logG= -0.030565 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324226 ETOT(band)= -0.344989 trlgG= -0.438924 logG= -0.030565 TDE= -0.169192 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010795 tlogG= -0.048907 logG= -0.059702 Density= 0.325894 ETOT(band)= -0.342862 trlgG= -0.434743 logG= -0.059702 TDE= -0.337899 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010780 tlogG= -0.050190 logG= -0.060971 Density= 0.326319 ETOT(band)= -0.343816 trlgG= -0.437937 logG= -0.060971 TDE= -0.338781 logGD-logG0= -0.010811 tlogG= -0.049677 logG= -0.060488 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326080 ETOT(band)= -0.343468 trlgG= -0.436677 logG= -0.060488 TDE= -0.338414 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.024498 logG= -0.029486 Density= 0.323027 ETOT(band)= -0.344095 trlgG= -0.436286 logG= -0.029486 TDE= -0.168873 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.050095 logG= -0.059850 Density= 0.426822 ETOT(band)= -0.460432 trlgG= -0.583661 logG= -0.059850 TDE= -0.337842 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.024380 logG= -0.029459 Density= 0.214260 ETOT(band)= -0.229671 trlgG= -0.290654 logG= -0.029459 TDE= -0.168710 logGD-logG0= -0.005506 tlogG= -0.025181 logG= -0.030687 Density= 0.324920 ETOT(band)= -0.344942 trlgG= -0.439367 logG= -0.030687 TDE= -0.169260 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.023462 logG= -0.028722 logGD-logG0= -0.005310 tlogG= -0.024387 logG= -0.029697 Density= 0.215162 ETOT(band)= -0.228530 trlgG= -0.287954 logG= -0.028722 TDE= -0.168164 Density= 0.323319 ETOT(band)= -0.344437 trlgG= -0.436876 logG= -0.029697 TDE= -0.168769 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.025105 logG= -0.030136 Density= 0.215072 ETOT(band)= -0.230028 trlgG= -0.292357 logG= -0.030136 TDE= -0.169176 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010401 tlogG= -0.049679 logG= -0.060080 Density= 0.428349 ETOT(band)= -0.460283 trlgG= -0.583705 logG= -0.060080 TDE= -0.337694 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010268 tlogG= -0.048874 logG= -0.059142 Density= 0.324331 ETOT(band)= -0.343042 trlgG= -0.433957 logG= -0.059142 TDE= -0.337591 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005634 tlogG= -0.024542 logG= -0.030176 Density= 0.216323 ETOT(band)= -0.229257 trlgG= -0.290729 logG= -0.030176 TDE= -0.168840 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010693 tlogG= -0.050322 logG= -0.061015 logGD-logG0= -0.010358 tlogG= -0.049785 logG= -0.060143 logGD-logG0= -0.010100 tlogG= -0.048874 logG= -0.058974 Density= 0.429869 ETOT(band)= -0.458900 trlgG= -0.581202 logG= -0.058974 TDE= -0.337579 Density= 0.428993 ETOT(band)= -0.459811 trlgG= -0.582601 logG= -0.060143 TDE= -0.337566 Density= 0.431608 ETOT(band)= -0.459968 trlgG= -0.584636 logG= -0.061015 TDE= -0.338230 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005648 logG= -0.006905 logGD-logG0= -0.005527 tlogG= -0.025142 logG= -0.030669 Density= 0.325598 ETOT(band)= -0.344466 trlgG= -0.438891 logG= -0.030669 TDE= -0.169330 Density= 0.082023 ETOT(band)= -0.084298 trlgG= -0.105728 logG= -0.006905 TDE= -0.041970 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005448 tlogG= -0.024325 logG= -0.029772 logGD-logG0= -0.010211 tlogG= -0.050044 logG= -0.060256 logGD-logG0= -0.011004 tlogG= -0.050264 logG= -0.061268 Density= 0.215995 ETOT(band)= -0.228917 trlgG= -0.289431 logG= -0.029772 TDE= -0.168571 Density= 0.429971 ETOT(band)= -0.460010 trlgG= -0.584300 logG= -0.060256 TDE= -0.338168 Density= 0.432552 ETOT(band)= -0.459791 trlgG= -0.584772 logG= -0.061268 TDE= -0.338330 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010801 tlogG= -0.049860 logG= -0.060661 Density= 0.430434 ETOT(band)= -0.459887 trlgG= -0.583540 logG= -0.060661 TDE= -0.337816 logGD-logG0= -0.010811 tlogG= -0.050400 logG= -0.061212 Density= 0.432437 ETOT(band)= -0.459949 trlgG= -0.585148 logG= -0.061212 TDE= -0.338284 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.050061 logG= -0.060438 logGD-logG0= -0.011103 tlogG= -0.050077 logG= -0.061180 Density= 0.431315 ETOT(band)= -0.459716 trlgG= -0.584208 logG= -0.060438 TDE= -0.338192 logGD-logG0= -0.011135 tlogG= -0.049977 logG= -0.061112 Density= 0.433247 ETOT(band)= -0.459257 trlgG= -0.584114 logG= -0.061112 TDE= -0.338368 Density= 0.433646 ETOT(band)= -0.459205 trlgG= -0.584456 logG= -0.061180 TDE= -0.338481 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010844 tlogG= -0.050148 logG= -0.060991 logGD-logG0= -0.001753 tlogG= -0.007570 logG= -0.009323 Density= 0.072636 ETOT(band)= -0.075217 trlgG= -0.094383 logG= -0.009323 TDE= -0.055962 Density= 0.431501 ETOT(band)= -0.459926 trlgG= -0.584369 logG= -0.060991 TDE= -0.338055 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010847 tlogG= -0.049188 logG= -0.060034 Density= 0.432194 ETOT(band)= -0.458338 trlgG= -0.580487 logG= -0.060034 TDE= -0.337497 logGD-logG0= -0.011039 tlogG= -0.050375 logG= -0.061414 Density= 0.433885 ETOT(band)= -0.459466 trlgG= -0.585359 logG= -0.061414 TDE= -0.338723 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.049777 logG= -0.060321 logGD-logG0= -0.010776 tlogG= -0.049791 logG= -0.060567 Density= 0.430665 ETOT(band)= -0.459346 trlgG= -0.582737 logG= -0.060321 TDE= -0.337881 Density= 0.432353 ETOT(band)= -0.458928 trlgG= -0.582336 logG= -0.060567 TDE= -0.337910 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011204 tlogG= -0.049529 logG= -0.060733 Density= 0.432958 ETOT(band)= -0.458869 trlgG= -0.582774 logG= -0.060733 TDE= -0.338015 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005160 tlogG= -0.023497 logG= -0.028656 Density= 0.324419 ETOT(band)= -0.342120 trlgG= -0.431711 logG= -0.028656 TDE= -0.168252 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005297 tlogG= -0.023726 logG= -0.029023 Density= 0.217581 ETOT(band)= -0.227364 trlgG= -0.286985 logG= -0.029023 TDE= -0.168523 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.022574 logG= -0.027716 Density= 0.217526 ETOT(band)= -0.226216 trlgG= -0.284108 logG= -0.027716 TDE= -0.167830 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005264 tlogG= -0.023203 logG= -0.028467 Density= 0.217825 ETOT(band)= -0.226449 trlgG= -0.284987 logG= -0.028467 TDE= -0.168215 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001275 tlogG= -0.005800 logG= -0.007074 Density= 0.081641 ETOT(band)= -0.084919 trlgG= -0.106816 logG= -0.007074 TDE= -0.042072 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005179 tlogG= -0.022709 logG= -0.027888 Density= 0.218245 ETOT(band)= -0.225416 trlgG= -0.282922 logG= -0.027888 TDE= -0.167914 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005328 tlogG= -0.023546 logG= -0.028874 Density= 0.216064 ETOT(band)= -0.227751 trlgG= -0.286555 logG= -0.028874 TDE= -0.168180 logGD-logG0= -0.001722 tlogG= -0.007930 logG= -0.009652 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.071817 ETOT(band)= -0.076043 trlgG= -0.095672 logG= -0.009652 TDE= -0.056079 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010447 tlogG= -0.046965 logG= -0.057413 Density= 0.433845 ETOT(band)= -0.454330 trlgG= -0.571744 logG= -0.057413 TDE= -0.336426 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -319.199731634653 eV TrLogG= -405.510487672675 eV Ratio to renormalize= 0.994974208879 rho-rho_expected= 0.111125900232 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962823520558141 0.936371820175238 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005027 tlogG= -0.024223 logG= -0.029250 Density= 0.107096 ETOT(band)= -0.114686 trlgG= -0.144797 logG= -0.029250 TDE= -0.168543 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.023577 logG= -0.028865 Density= 0.108195 ETOT(band)= -0.113995 trlgG= -0.143604 logG= -0.028865 TDE= -0.168280 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.024011 logG= -0.029129 Density= 0.107256 ETOT(band)= -0.114555 trlgG= -0.144478 logG= -0.029129 TDE= -0.168425 logGD-logG0= -0.005116 tlogG= -0.024518 logG= -0.029635 Density= 0.107189 ETOT(band)= -0.114834 trlgG= -0.145252 logG= -0.029635 TDE= -0.168660 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001686 tlogG= -0.007443 logG= -0.009129 Density= 0.036412 ETOT(band)= -0.037497 trlgG= -0.047010 logG= -0.009129 TDE= -0.055899 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002499 tlogG= -0.011108 logG= -0.013607 Density= 0.054704 ETOT(band)= -0.056137 trlgG= -0.070349 logG= -0.013607 TDE= -0.083813 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005359 tlogG= -0.023004 logG= -0.028363 Density= 0.108354 ETOT(band)= -0.113590 trlgG= -0.142780 logG= -0.028363 TDE= -0.168036 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005308 tlogG= -0.022884 logG= -0.028192 Density= 0.108511 ETOT(band)= -0.113407 trlgG= -0.142483 logG= -0.028192 TDE= -0.167988 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002734 tlogG= -0.012578 logG= -0.015313 Density= 0.054076 ETOT(band)= -0.057500 trlgG= -0.073154 logG= -0.015313 TDE= -0.084601 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000204 tlogG= -0.000911 logG= -0.001115 Density= 0.004570 ETOT(band)= -0.004657 trlgG= -0.005826 logG= -0.001115 TDE= -0.006973 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002466 tlogG= -0.012444 logG= -0.014910 Density= 0.053777 ETOT(band)= -0.057419 trlgG= -0.072861 logG= -0.014910 TDE= -0.084563 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002555 tlogG= -0.012631 logG= -0.015186 Density= 0.053840 ETOT(band)= -0.057532 trlgG= -0.073183 logG= -0.015186 TDE= -0.084640 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001622 tlogG= -0.008149 logG= -0.009771 Density= 0.035584 ETOT(band)= -0.038289 trlgG= -0.048393 logG= -0.009771 TDE= -0.056231 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002481 tlogG= -0.012022 logG= -0.014502 Density= 0.053975 ETOT(band)= -0.057102 trlgG= -0.072119 logG= -0.014502 TDE= -0.084326 logGD-logG0= -0.001537 tlogG= -0.008381 logG= -0.009919 Density= 0.035346 ETOT(band)= -0.038457 trlgG= -0.048777 logG= -0.009919 TDE= -0.056350 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002650 tlogG= -0.012590 logG= -0.015239 Density= 0.054483 ETOT(band)= -0.057287 trlgG= -0.073037 logG= -0.015239 TDE= -0.084759 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004712 tlogG= -0.025063 logG= -0.029774 Density= 0.106303 ETOT(band)= -0.115267 trlgG= -0.146168 logG= -0.029774 TDE= -0.168997 logGD-logG0= -0.005268 tlogG= -0.024242 logG= -0.029511 Density= 0.108798 ETOT(band)= -0.114113 trlgG= -0.144574 logG= -0.029511 TDE= -0.168902 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.024984 logG= -0.030309 logGD-logG0= -0.005201 tlogG= -0.023742 logG= -0.028943 Density= 0.108849 ETOT(band)= -0.113767 trlgG= -0.143685 logG= -0.028943 TDE= -0.168607 Density= 0.108866 ETOT(band)= -0.114519 trlgG= -0.145808 logG= -0.030309 TDE= -0.169371 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005529 tlogG= -0.025173 logG= -0.030702 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024668 logG= -0.029982 Density= 0.108810 ETOT(band)= -0.114365 trlgG= -0.145301 logG= -0.029982 TDE= -0.169164 Density= 0.108284 ETOT(band)= -0.114994 trlgG= -0.146433 logG= -0.030702 TDE= -0.169316 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.025160 logG= -0.030477 Density= 0.108920 ETOT(band)= -0.114593 trlgG= -0.146073 logG= -0.030477 TDE= -0.169495 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.024987 logG= -0.029727 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106366 ETOT(band)= -0.115222 trlgG= -0.146053 logG= -0.029727 TDE= -0.168961 logGD-logG0= -0.004917 tlogG= -0.025059 logG= -0.029976 Density= 0.106709 ETOT(band)= -0.115188 trlgG= -0.146120 logG= -0.029976 TDE= -0.168950 logGD-logG0= -0.005146 tlogG= -0.024002 logG= -0.029147 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108319 ETOT(band)= -0.114119 trlgG= -0.144125 logG= -0.029147 TDE= -0.168579 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002713 tlogG= -0.012588 logG= -0.015301 Density= 0.054324 ETOT(band)= -0.057390 trlgG= -0.073139 logG= -0.015301 TDE= -0.084720 logGD-logG0= -0.005489 tlogG= -0.025314 logG= -0.030802 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108469 ETOT(band)= -0.114988 trlgG= -0.146603 logG= -0.030802 TDE= -0.169477 logGD-logG0= -0.005510 tlogG= -0.025065 logG= -0.030575 logGD-logG0= -0.005544 tlogG= -0.024792 logG= -0.030336 logGD-logG0= -0.005304 tlogG= -0.025087 logG= -0.030391 Density= 0.108405 ETOT(band)= -0.114870 trlgG= -0.146232 logG= -0.030575 TDE= -0.169301 Density= 0.108940 ETOT(band)= -0.114534 trlgG= -0.145936 logG= -0.030391 TDE= -0.169454 Density= 0.107817 ETOT(band)= -0.114942 trlgG= -0.145835 logG= -0.030336 TDE= -0.168852 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.024663 logG= -0.030021 Density= 0.107493 ETOT(band)= -0.114900 trlgG= -0.145481 logG= -0.030021 TDE= -0.168653 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005458 tlogG= -0.025274 logG= -0.030731 Density= 0.108556 ETOT(band)= -0.114908 trlgG= -0.146491 logG= -0.030731 TDE= -0.169479 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.024689 logG= -0.029748 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.024006 logG= -0.029205 Density= 0.106936 ETOT(band)= -0.115010 trlgG= -0.145618 logG= -0.029748 TDE= -0.168787 Density= 0.108910 ETOT(band)= -0.113894 trlgG= -0.144093 logG= -0.029205 TDE= -0.168783 logGD-logG0= -0.005491 tlogG= -0.025064 logG= -0.030555 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108062 ETOT(band)= -0.114987 trlgG= -0.146189 logG= -0.030555 TDE= -0.169109 logGD-logG0= -0.005254 tlogG= -0.025196 logG= -0.030450 Density= 0.107958 ETOT(band)= -0.114982 trlgG= -0.146234 logG= -0.030450 TDE= -0.169207 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024835 logG= -0.030135 logGD-logG0= -0.005369 tlogG= -0.024035 logG= -0.029404 Density= 0.108890 ETOT(band)= -0.114412 trlgG= -0.145535 logG= -0.030135 TDE= -0.169284 Density= 0.108210 ETOT(band)= -0.114294 trlgG= -0.144426 logG= -0.029404 TDE= -0.168569 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.024465 logG= -0.029730 logGD-logG0= -0.005102 tlogG= -0.024813 logG= -0.029914 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108870 ETOT(band)= -0.114202 trlgG= -0.144908 logG= -0.029730 TDE= -0.169053 Density= 0.107915 ETOT(band)= -0.114716 trlgG= -0.145550 logG= -0.029914 TDE= -0.169037 logGD-logG0= -0.005243 tlogG= -0.024927 logG= -0.030170 Density= 0.107198 ETOT(band)= -0.115102 trlgG= -0.146056 logG= -0.030170 TDE= -0.168933 logGD-logG0= -0.005441 tlogG= -0.025076 logG= -0.030517 logGD-logG0= -0.004985 tlogG= -0.024811 logG= -0.029796 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108595 ETOT(band)= -0.114750 trlgG= -0.146140 logG= -0.030517 TDE= -0.169361 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107389 ETOT(band)= -0.114877 trlgG= -0.145685 logG= -0.029796 TDE= -0.169030 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.025172 logG= -0.030319 logGD-logG0= -0.005031 tlogG= -0.024001 logG= -0.029032 Density= 0.107756 ETOT(band)= -0.114295 trlgG= -0.144293 logG= -0.029032 TDE= -0.168583 Density= 0.107555 ETOT(band)= -0.115069 trlgG= -0.146281 logG= -0.030319 TDE= -0.169185 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010317 tlogG= -0.050446 logG= -0.060762 Density= 0.215463 ETOT(band)= -0.230078 trlgG= -0.292614 logG= -0.060762 TDE= -0.338474 logGD-logG0= -0.009873 tlogG= -0.049661 logG= -0.059534 logGD-logG0= -0.010188 tlogG= -0.049417 logG= -0.059605 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213557 ETOT(band)= -0.230145 trlgG= -0.291563 logG= -0.059534 TDE= -0.337708 Density= 0.214609 ETOT(band)= -0.229788 trlgG= -0.291215 logG= -0.059605 TDE= -0.337809 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010308 tlogG= -0.047895 logG= -0.058203 Density= 0.215288 ETOT(band)= -0.228747 trlgG= -0.288653 logG= -0.058203 TDE= -0.336985 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.025249 logG= -0.030683 Density= 0.108622 ETOT(band)= -0.114848 trlgG= -0.146413 logG= -0.030683 TDE= -0.169481 logGD-logG0= -0.005485 tlogG= -0.024410 logG= -0.029895 Density= 0.108320 ETOT(band)= -0.114512 trlgG= -0.145169 logG= -0.029895 TDE= -0.168876 logGD-logG0= -0.005471 tlogG= -0.024802 logG= -0.030273 logGD-logG0= -0.010451 tlogG= -0.050117 logG= -0.060569 logGD-logG0= -0.010053 tlogG= -0.048060 logG= -0.058113 Density= 0.216024 ETOT(band)= -0.228405 trlgG= -0.288458 logG= -0.058113 TDE= -0.337244 Density= 0.214967 ETOT(band)= -0.230124 trlgG= -0.292331 logG= -0.060569 TDE= -0.338138 Density= 0.108466 ETOT(band)= -0.114658 trlgG= -0.145750 logG= -0.030273 TDE= -0.169152 logGD-logG0= -0.010259 tlogG= -0.049962 logG= -0.060221 Density= 0.214099 ETOT(band)= -0.230243 trlgG= -0.292013 logG= -0.060221 TDE= -0.337738 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010542 tlogG= -0.049201 logG= -0.059743 Density= 0.214710 ETOT(band)= -0.229776 trlgG= -0.290971 logG= -0.059743 TDE= -0.337477 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011018 tlogG= -0.049955 logG= -0.060973 Density= 0.215978 ETOT(band)= -0.229937 trlgG= -0.292145 logG= -0.060973 TDE= -0.338049 logGD-logG0= -0.009978 tlogG= -0.049693 logG= -0.059670 Density= 0.215231 ETOT(band)= -0.229615 trlgG= -0.291316 logG= -0.059670 TDE= -0.338153 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010980 tlogG= -0.050273 logG= -0.061253 logGD-logG0= -0.010405 tlogG= -0.047959 logG= -0.058364 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216264 ETOT(band)= -0.228424 trlgG= -0.288405 logG= -0.058364 TDE= -0.337059 Density= 0.216329 ETOT(band)= -0.229986 trlgG= -0.292615 logG= -0.061253 TDE= -0.338413 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010690 tlogG= -0.048701 logG= -0.059391 logGD-logG0= -0.010817 tlogG= -0.050195 logG= -0.061011 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216315 ETOT(band)= -0.229854 trlgG= -0.292231 logG= -0.061011 TDE= -0.338263 Density= 0.216425 ETOT(band)= -0.228912 trlgG= -0.289743 logG= -0.059391 TDE= -0.337450 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001824 tlogG= -0.007660 logG= -0.009484 logGD-logG0= -0.011044 tlogG= -0.050222 logG= -0.061266 logGD-logG0= -0.010570 tlogG= -0.050242 logG= -0.060812 Density= 0.216374 ETOT(band)= -0.229970 trlgG= -0.292629 logG= -0.061266 TDE= -0.338436 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215665 ETOT(band)= -0.229992 trlgG= -0.292350 logG= -0.060812 TDE= -0.338260 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036019 ETOT(band)= -0.037928 trlgG= -0.047650 logG= -0.009484 TDE= -0.055990 logGD-logG0= -0.010874 tlogG= -0.050006 logG= -0.060880 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215848 ETOT(band)= -0.229939 trlgG= -0.292093 logG= -0.060880 TDE= -0.338025 logGD-logG0= -0.010923 tlogG= -0.049525 logG= -0.060448 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215378 ETOT(band)= -0.229868 trlgG= -0.291532 logG= -0.060448 TDE= -0.337664 logGD-logG0= -0.011057 tlogG= -0.050444 logG= -0.061500 logGD-logG0= -0.010925 tlogG= -0.049951 logG= -0.060876 logGD-logG0= -0.011011 tlogG= -0.049723 logG= -0.060734 Density= 0.216724 ETOT(band)= -0.229989 trlgG= -0.293027 logG= -0.061500 TDE= -0.338772 Density= 0.217044 ETOT(band)= -0.229465 trlgG= -0.292024 logG= -0.060876 TDE= -0.338553 logGD-logG0= -0.010690 tlogG= -0.049876 logG= -0.060565 Density= 0.216771 ETOT(band)= -0.229506 trlgG= -0.291800 logG= -0.060734 TDE= -0.338335 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214980 ETOT(band)= -0.230090 trlgG= -0.292077 logG= -0.060565 TDE= -0.337895 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010913 tlogG= -0.050285 logG= -0.061198 Density= 0.217111 ETOT(band)= -0.229641 trlgG= -0.292545 logG= -0.061198 TDE= -0.338785 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010311 tlogG= -0.049475 logG= -0.059787 Density= 0.215525 ETOT(band)= -0.229513 trlgG= -0.291039 logG= -0.059787 TDE= -0.337905 logGD-logG0= -0.010989 tlogG= -0.049270 logG= -0.060259 Density= 0.216726 ETOT(band)= -0.229250 trlgG= -0.291059 logG= -0.060259 TDE= -0.338047 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010605 tlogG= -0.049407 logG= -0.060012 Density= 0.216362 ETOT(band)= -0.229286 trlgG= -0.290777 logG= -0.060012 TDE= -0.337832 logGD-logG0= -0.010863 tlogG= -0.050340 logG= -0.061203 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217256 ETOT(band)= -0.229578 trlgG= -0.292554 logG= -0.061203 TDE= -0.338860 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023183 logG= -0.028349 logGD-logG0= -0.005088 tlogG= -0.022886 logG= -0.027975 Density= 0.108948 ETOT(band)= -0.113310 trlgG= -0.142702 logG= -0.028349 TDE= -0.168266 Density= 0.109150 ETOT(band)= -0.112964 trlgG= -0.142056 logG= -0.027975 TDE= -0.168094 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005014 tlogG= -0.022342 logG= -0.027357 Density= 0.109359 ETOT(band)= -0.112412 trlgG= -0.140960 logG= -0.027357 TDE= -0.167719 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005164 tlogG= -0.023469 logG= -0.028632 Density= 0.108992 ETOT(band)= -0.113470 trlgG= -0.143160 logG= -0.028632 TDE= -0.168462 logGD-logG0= -0.002617 tlogG= -0.011434 logG= -0.014052 Density= 0.054358 ETOT(band)= -0.056628 trlgG= -0.071158 logG= -0.014052 TDE= -0.084005 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.024904 logG= -0.029877 Density= 0.214056 ETOT(band)= -0.229916 trlgG= -0.291118 logG= -0.029877 TDE= -0.168872 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004824 tlogG= -0.024753 logG= -0.029577 Density= 0.213703 ETOT(band)= -0.229741 trlgG= -0.290463 logG= -0.029577 TDE= -0.168844 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.023998 logG= -0.029287 Density= 0.215847 ETOT(band)= -0.228460 trlgG= -0.288085 logG= -0.029287 TDE= -0.168465 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010473 tlogG= -0.045911 logG= -0.056384 Density= 0.217478 ETOT(band)= -0.226611 trlgG= -0.284928 logG= -0.056384 TDE= -0.336164 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001748 tlogG= -0.007562 logG= -0.009310 Density= 0.072649 ETOT(band)= -0.075209 trlgG= -0.094353 logG= -0.009310 TDE= -0.055965 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001253 tlogG= -0.005642 logG= -0.006894 Density= 0.082046 ETOT(band)= -0.084281 trlgG= -0.105685 logG= -0.006894 TDE= -0.041972 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005235 tlogG= -0.023458 logG= -0.028692 Density= 0.215137 ETOT(band)= -0.228567 trlgG= -0.287980 logG= -0.028692 TDE= -0.168195 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005304 tlogG= -0.023542 logG= -0.028847 Density= 0.216062 ETOT(band)= -0.227768 trlgG= -0.286537 logG= -0.028847 TDE= -0.168210 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005125 tlogG= -0.022548 logG= -0.027673 Density= 0.217556 ETOT(band)= -0.226203 trlgG= -0.284034 logG= -0.027673 TDE= -0.167839 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001300 tlogG= -0.006063 logG= -0.007363 Density= 0.081020 ETOT(band)= -0.085921 trlgG= -0.108980 logG= -0.007363 TDE= -0.042237 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001321 tlogG= -0.006245 logG= -0.007566 Density= 0.081318 ETOT(band)= -0.086113 trlgG= -0.109587 logG= -0.007566 TDE= -0.042348 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005941 logG= -0.007220 Density= 0.081242 ETOT(band)= -0.085512 trlgG= -0.108012 logG= -0.007220 TDE= -0.042167 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001315 tlogG= -0.006166 logG= -0.007480 Density= 0.081076 ETOT(band)= -0.086100 trlgG= -0.109483 logG= -0.007480 TDE= -0.042297 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001321 tlogG= -0.006287 logG= -0.007608 Density= 0.081575 ETOT(band)= -0.086023 trlgG= -0.109638 logG= -0.007608 TDE= -0.042377 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001565 tlogG= -0.008303 logG= -0.009868 Density= 0.071012 ETOT(band)= -0.076690 trlgG= -0.097042 logG= -0.009868 TDE= -0.056313 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005393 tlogG= -0.025199 logG= -0.030592 Density= 0.217012 ETOT(band)= -0.229739 trlgG= -0.292696 logG= -0.030592 TDE= -0.169474 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.025009 logG= -0.030430 logGD-logG0= -0.005333 tlogG= -0.025059 logG= -0.030392 Density= 0.216590 ETOT(band)= -0.229670 trlgG= -0.292236 logG= -0.030430 TDE= -0.169329 Density= 0.215472 ETOT(band)= -0.229989 trlgG= -0.292008 logG= -0.030392 TDE= -0.169054 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.025202 logG= -0.030562 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217736 ETOT(band)= -0.229282 trlgG= -0.292287 logG= -0.030562 TDE= -0.169500 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004947 tlogG= -0.024987 logG= -0.029934 Density= 0.213445 ETOT(band)= -0.230355 trlgG= -0.292156 logG= -0.029934 TDE= -0.168919 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.024899 logG= -0.030166 Density= 0.214779 ETOT(band)= -0.229956 trlgG= -0.291354 logG= -0.030166 TDE= -0.168797 logGD-logG0= -0.004685 tlogG= -0.025143 logG= -0.029827 Density= 0.212522 ETOT(band)= -0.230590 trlgG= -0.292466 logG= -0.029827 TDE= -0.169034 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005446 tlogG= -0.024673 logG= -0.030119 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216407 ETOT(band)= -0.229290 trlgG= -0.291068 logG= -0.030119 TDE= -0.169086 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.024227 logG= -0.029561 Density= 0.217540 ETOT(band)= -0.228103 trlgG= -0.288750 logG= -0.029561 TDE= -0.168852 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005480 tlogG= -0.025304 logG= -0.030785 logGD-logG0= -0.005055 tlogG= -0.024385 logG= -0.029440 Density= 0.214227 ETOT(band)= -0.229725 trlgG= -0.290710 logG= -0.029440 TDE= -0.168745 Density= 0.217050 ETOT(band)= -0.229875 trlgG= -0.293068 logG= -0.030785 TDE= -0.169480 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024651 logG= -0.030017 Density= 0.217549 ETOT(band)= -0.228636 trlgG= -0.290264 logG= -0.030017 TDE= -0.169118 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010669 tlogG= -0.047982 logG= -0.058651 logGD-logG0= -0.005096 tlogG= -0.024953 logG= -0.030050 Density= 0.214433 ETOT(band)= -0.230152 trlgG= -0.292073 logG= -0.030050 TDE= -0.169032 Density= 0.325945 ETOT(band)= -0.342000 trlgG= -0.432283 logG= -0.058651 TDE= -0.337377 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.024503 logG= -0.029466 Density= 0.323026 ETOT(band)= -0.344151 trlgG= -0.436349 logG= -0.029466 TDE= -0.168909 logGD-logG0= -0.005329 tlogG= -0.024959 logG= -0.030289 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.025257 logG= -0.030558 Density= 0.324285 ETOT(band)= -0.345029 trlgG= -0.438983 logG= -0.030558 TDE= -0.169232 Density= 0.216783 ETOT(band)= -0.229655 trlgG= -0.292234 logG= -0.030289 TDE= -0.169056 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.025164 logG= -0.030516 logGD-logG0= -0.004934 tlogG= -0.024506 logG= -0.029440 logGD-logG0= -0.005039 tlogG= -0.025116 logG= -0.030155 logGD-logG0= -0.001236 tlogG= -0.005515 logG= -0.006750 Density= 0.062738 ETOT(band)= -0.066465 trlgG= -0.083851 logG= -0.006750 TDE= -0.041879 Density= 0.217771 ETOT(band)= -0.229188 trlgG= -0.292074 logG= -0.030516 TDE= -0.169477 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215030 ETOT(band)= -0.229468 trlgG= -0.290770 logG= -0.029440 TDE= -0.168911 Density= 0.323116 ETOT(band)= -0.345039 trlgG= -0.438714 logG= -0.030155 TDE= -0.169217 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.025116 logG= -0.030125 logGD-logG0= -0.005432 tlogG= -0.024323 logG= -0.029755 Density= 0.216017 ETOT(band)= -0.228936 trlgG= -0.289433 logG= -0.029755 TDE= -0.168601 logGD-logG0= -0.010742 tlogG= -0.050203 logG= -0.060945 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.024602 logG= -0.029484 Density= 0.213092 ETOT(band)= -0.230184 trlgG= -0.291486 logG= -0.029484 TDE= -0.168762 Density= 0.326414 ETOT(band)= -0.343823 trlgG= -0.437946 logG= -0.060945 TDE= -0.338846 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011027 tlogG= -0.050398 logG= -0.061425 Density= 0.215077 ETOT(band)= -0.230071 trlgG= -0.292415 logG= -0.030125 TDE= -0.169216 Density= 0.325211 ETOT(band)= -0.344781 trlgG= -0.439141 logG= -0.061425 TDE= -0.338770 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001647 tlogG= -0.007334 logG= -0.008981 Density= 0.041095 ETOT(band)= -0.041984 trlgG= -0.052556 logG= -0.008981 TDE= -0.055823 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010759 tlogG= -0.048905 logG= -0.059665 Density= 0.325974 ETOT(band)= -0.342863 trlgG= -0.434722 logG= -0.059665 TDE= -0.337953 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005521 tlogG= -0.025098 logG= -0.030620 Density= 0.216987 ETOT(band)= -0.229644 trlgG= -0.292443 logG= -0.030620 TDE= -0.169321 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010224 tlogG= -0.048879 logG= -0.059103 Density= 0.324362 ETOT(band)= -0.343069 trlgG= -0.433977 logG= -0.059103 TDE= -0.337659 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005492 tlogG= -0.025188 logG= -0.030681 Density= 0.325000 ETOT(band)= -0.344974 trlgG= -0.439424 logG= -0.030681 TDE= -0.169297 logGD-logG0= -0.005617 tlogG= -0.024545 logG= -0.030163 Density= 0.216361 ETOT(band)= -0.229273 trlgG= -0.290737 logG= -0.030163 TDE= -0.168870 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.024979 logG= -0.030346 Density= 0.217652 ETOT(band)= -0.228995 trlgG= -0.291403 logG= -0.030346 TDE= -0.169343 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.025251 logG= -0.030529 Density= 0.215931 ETOT(band)= -0.230050 trlgG= -0.292569 logG= -0.030529 TDE= -0.169230 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.024386 logG= -0.029678 Density= 0.323349 ETOT(band)= -0.344481 trlgG= -0.436923 logG= -0.029678 TDE= -0.168795 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010774 tlogG= -0.049684 logG= -0.060458 Density= 0.326169 ETOT(band)= -0.343472 trlgG= -0.436674 logG= -0.060458 TDE= -0.338475 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.022637 logG= -0.027726 Density= 0.163630 ETOT(band)= -0.170076 trlgG= -0.214669 logG= -0.027726 TDE= -0.167917 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010218 tlogG= -0.048754 logG= -0.058972 Density= 0.429579 ETOT(band)= -0.458324 trlgG= -0.578824 logG= -0.058972 TDE= -0.337240 logGD-logG0= -0.009703 tlogG= -0.050121 logG= -0.059824 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426728 ETOT(band)= -0.460566 trlgG= -0.583832 logG= -0.059824 TDE= -0.337933 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010167 tlogG= -0.050066 logG= -0.060232 Density= 0.429980 ETOT(band)= -0.460093 trlgG= -0.584410 logG= -0.060232 TDE= -0.338246 logGD-logG0= -0.010654 tlogG= -0.050346 logG= -0.060999 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431671 ETOT(band)= -0.460026 trlgG= -0.584718 logG= -0.060999 TDE= -0.338309 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010052 tlogG= -0.048883 logG= -0.058935 Density= 0.429847 ETOT(band)= -0.458984 trlgG= -0.581289 logG= -0.058935 TDE= -0.337650 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010974 tlogG= -0.050281 logG= -0.061255 logGD-logG0= -0.010777 tlogG= -0.050421 logG= -0.061198 Density= 0.432523 ETOT(band)= -0.460000 trlgG= -0.585225 logG= -0.061198 TDE= -0.338359 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.432641 ETOT(band)= -0.459838 trlgG= -0.584839 logG= -0.061255 TDE= -0.338403 logGD-logG0= -0.011101 tlogG= -0.049994 logG= -0.061095 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010361 tlogG= -0.049695 logG= -0.060056 Density= 0.428315 ETOT(band)= -0.460387 trlgG= -0.583833 logG= -0.060056 TDE= -0.337770 Density= 0.433346 ETOT(band)= -0.459292 trlgG= -0.584161 logG= -0.061095 TDE= -0.338438 logGD-logG0= -0.010812 tlogG= -0.049193 logG= -0.060005 logGD-logG0= -0.010336 tlogG= -0.050080 logG= -0.060416 Density= 0.431364 ETOT(band)= -0.459778 trlgG= -0.584294 logG= -0.060416 TDE= -0.338267 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.432253 ETOT(band)= -0.458376 trlgG= -0.580508 logG= -0.060005 TDE= -0.337562 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005508 tlogG= -0.025153 logG= -0.030661 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325684 ETOT(band)= -0.344487 trlgG= -0.438926 logG= -0.030661 TDE= -0.169366 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010761 tlogG= -0.049881 logG= -0.060642 Density= 0.430466 ETOT(band)= -0.459956 trlgG= -0.583630 logG= -0.060642 TDE= -0.337892 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010317 tlogG= -0.049802 logG= -0.060118 Density= 0.428975 ETOT(band)= -0.459901 trlgG= -0.582709 logG= -0.060118 TDE= -0.337649 logGD-logG0= -0.010808 tlogG= -0.050167 logG= -0.060975 Density= 0.431565 ETOT(band)= -0.459984 trlgG= -0.584451 logG= -0.060975 TDE= -0.338130 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011066 tlogG= -0.050096 logG= -0.061163 logGD-logG0= -0.010450 tlogG= -0.048685 logG= -0.059135 Density= 0.433750 ETOT(band)= -0.459235 trlgG= -0.584500 logG= -0.061163 TDE= -0.338550 Density= 0.431662 ETOT(band)= -0.457621 trlgG= -0.578327 logG= -0.059135 TDE= -0.337377 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023716 logG= -0.028996 logGD-logG0= -0.010503 tlogG= -0.049794 logG= -0.060297 Density= 0.217632 ETOT(band)= -0.227352 trlgG= -0.286938 logG= -0.028996 TDE= -0.168543 Density= 0.430690 ETOT(band)= -0.459413 trlgG= -0.582818 logG= -0.060297 TDE= -0.337956 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011001 tlogG= -0.050399 logG= -0.061400 Density= 0.433999 ETOT(band)= -0.459499 trlgG= -0.585415 logG= -0.061400 TDE= -0.338797 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005563 tlogG= -0.024896 logG= -0.030459 Density= 0.216725 ETOT(band)= -0.229502 trlgG= -0.291788 logG= -0.030459 TDE= -0.169150 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011171 tlogG= -0.049540 logG= -0.060711 Density= 0.433045 ETOT(band)= -0.458901 trlgG= -0.582804 logG= -0.060711 TDE= -0.338079 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023491 logG= -0.028625 Density= 0.324434 ETOT(band)= -0.342146 trlgG= -0.431719 logG= -0.028625 TDE= -0.168282 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010742 tlogG= -0.049803 logG= -0.060545 Density= 0.432423 ETOT(band)= -0.458969 trlgG= -0.582384 logG= -0.060545 TDE= -0.337980 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010521 tlogG= -0.046970 logG= -0.057491 Density= 0.326120 ETOT(band)= -0.340827 trlgG= -0.429478 logG= -0.057491 TDE= -0.336752 logGD-logG0= -0.005096 tlogG= -0.023489 logG= -0.028585 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216017 ETOT(band)= -0.228081 trlgG= -0.287589 logG= -0.028585 TDE= -0.168284 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001712 tlogG= -0.007932 logG= -0.009643 Density= 0.071810 ETOT(band)= -0.076053 trlgG= -0.095676 logG= -0.009643 TDE= -0.056094 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001270 tlogG= -0.005795 logG= -0.007065 Density= 0.081656 ETOT(band)= -0.084914 trlgG= -0.106791 logG= -0.007065 TDE= -0.042076 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005247 tlogG= -0.023186 logG= -0.028433 Density= 0.217873 ETOT(band)= -0.226430 trlgG= -0.284917 logG= -0.028433 TDE= -0.168230 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005163 tlogG= -0.022685 logG= -0.027848 Density= 0.218294 ETOT(band)= -0.225385 trlgG= -0.282825 logG= -0.027848 TDE= -0.167924 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010398 tlogG= -0.046955 logG= -0.057353 Density= 0.433888 ETOT(band)= -0.454332 trlgG= -0.571676 logG= -0.057353 TDE= -0.336485 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -319.232785379156 eV TrLogG= -405.558058159482 eV Ratio to renormalize= 0.994867531535 rho-rho_expected= 0.113496825103 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 46) Finished k-point number 94 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962424513254155 0.935939007225860 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002449 tlogG= -0.011892 logG= -0.014341 Density= 0.053913 ETOT(band)= -0.056893 trlgG= -0.071775 logG= -0.014341 TDE= -0.084113 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004813 tlogG= -0.024879 logG= -0.029692 Density= 0.106519 ETOT(band)= -0.114834 trlgG= -0.145574 logG= -0.029692 TDE= -0.168593 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023680 logG= -0.028879 Density= 0.108895 ETOT(band)= -0.113407 trlgG= -0.143275 logG= -0.028879 TDE= -0.168283 logGD-logG0= -0.004956 tlogG= -0.024501 logG= -0.029456 Density= 0.106750 ETOT(band)= -0.114648 trlgG= -0.145041 logG= -0.029456 TDE= -0.168410 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.024153 logG= -0.029420 Density= 0.108856 ETOT(band)= -0.113723 trlgG= -0.144114 logG= -0.029420 TDE= -0.168561 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023763 logG= -0.029090 Density= 0.108139 ETOT(band)= -0.113849 trlgG= -0.143649 logG= -0.029090 TDE= -0.168071 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.024573 logG= -0.029505 Density= 0.107245 ETOT(band)= -0.114492 trlgG= -0.145047 logG= -0.029505 TDE= -0.168612 logGD-logG0= -0.005493 tlogG= -0.024103 logG= -0.029596 Density= 0.108269 ETOT(band)= -0.114063 trlgG= -0.144403 logG= -0.029596 TDE= -0.168383 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002713 tlogG= -0.012465 logG= -0.015178 Density= 0.054048 ETOT(band)= -0.057286 trlgG= -0.072799 logG= -0.015178 TDE= -0.084366 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.024793 logG= -0.030100 Density= 0.108930 ETOT(band)= -0.114064 trlgG= -0.145170 logG= -0.030100 TDE= -0.168974 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001500 tlogG= -0.008323 logG= -0.009823 Density= 0.035250 ETOT(band)= -0.038358 trlgG= -0.048612 logG= -0.009823 TDE= -0.056233 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005449 tlogG= -0.024790 logG= -0.030238 Density= 0.108567 ETOT(band)= -0.114298 trlgG= -0.145399 logG= -0.030238 TDE= -0.168885 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000204 tlogG= -0.000893 logG= -0.001097 Density= 0.004571 ETOT(band)= -0.004633 trlgG= -0.005785 logG= -0.001097 TDE= -0.006949 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002438 tlogG= -0.012327 logG= -0.014764 Density= 0.053712 ETOT(band)= -0.057222 trlgG= -0.072540 logG= -0.014764 TDE= -0.084355 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002530 tlogG= -0.012520 logG= -0.015050 logGD-logG0= -0.010199 tlogG= -0.047366 logG= -0.057565 Density= 0.215000 ETOT(band)= -0.227940 trlgG= -0.287291 logG= -0.057565 TDE= -0.336119 Density= 0.053791 ETOT(band)= -0.057330 trlgG= -0.072866 logG= -0.015050 TDE= -0.084435 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.023297 logG= -0.028534 logGD-logG0= -0.010348 tlogG= -0.048812 logG= -0.059161 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214447 ETOT(band)= -0.228987 trlgG= -0.289670 logG= -0.059161 TDE= -0.336628 logGD-logG0= -0.010067 tlogG= -0.049594 logG= -0.059661 Density= 0.213800 ETOT(band)= -0.229489 trlgG= -0.290877 logG= -0.059661 TDE= -0.337015 Density= 0.108103 ETOT(band)= -0.113552 trlgG= -0.142859 logG= -0.028534 TDE= -0.167820 logGD-logG0= -0.005007 tlogG= -0.024328 logG= -0.029335 Density= 0.107030 ETOT(band)= -0.114452 trlgG= -0.144673 logG= -0.029335 TDE= -0.168302 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004628 tlogG= -0.024809 logG= -0.029436 Density= 0.106116 ETOT(band)= -0.114900 trlgG= -0.145533 logG= -0.029436 TDE= -0.168609 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002651 tlogG= -0.012444 logG= -0.015095 Density= 0.054479 ETOT(band)= -0.057052 trlgG= -0.072656 logG= -0.015095 TDE= -0.084520 logGD-logG0= -0.002499 tlogG= -0.010910 logG= -0.013409 Density= 0.054697 ETOT(band)= -0.055867 trlgG= -0.069879 logG= -0.013409 TDE= -0.083537 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023407 logG= -0.028610 logGD-logG0= -0.005271 tlogG= -0.023924 logG= -0.029195 Density= 0.108776 ETOT(band)= -0.113636 trlgG= -0.143773 logG= -0.029195 TDE= -0.168406 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108823 ETOT(band)= -0.113282 trlgG= -0.142859 logG= -0.028610 TDE= -0.168100 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.024362 logG= -0.029680 Density= 0.108792 ETOT(band)= -0.113893 trlgG= -0.144521 logG= -0.029680 TDE= -0.168676 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.024869 logG= -0.030190 logGD-logG0= -0.005329 tlogG= -0.024688 logG= -0.030017 Density= 0.108853 ETOT(band)= -0.114051 trlgG= -0.145041 logG= -0.030017 TDE= -0.168890 logGD-logG0= -0.005169 tlogG= -0.022829 logG= -0.027998 Density= 0.108918 ETOT(band)= -0.112813 trlgG= -0.141847 logG= -0.027998 TDE= -0.167747 logGD-logG0= -0.004907 tlogG= -0.024031 logG= -0.028938 Density= 0.106898 ETOT(band)= -0.114319 trlgG= -0.144228 logG= -0.028938 TDE= -0.168189 Density= 0.108909 ETOT(band)= -0.114126 trlgG= -0.145314 logG= -0.030190 TDE= -0.169018 logGD-logG0= -0.004997 tlogG= -0.023815 logG= -0.028813 Density= 0.107068 ETOT(band)= -0.114180 trlgG= -0.143889 logG= -0.028813 TDE= -0.168059 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005497 tlogG= -0.024940 logG= -0.030437 Density= 0.108245 ETOT(band)= -0.114561 trlgG= -0.145720 logG= -0.030437 TDE= -0.168848 logGD-logG0= -0.002716 tlogG= -0.012446 logG= -0.015162 Density= 0.054312 ETOT(band)= -0.057165 trlgG= -0.072770 logG= -0.015162 TDE= -0.084484 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023737 logG= -0.028826 Density= 0.108246 ETOT(band)= -0.113671 trlgG= -0.143408 logG= -0.028826 TDE= -0.168147 logGD-logG0= -0.005493 tlogG= -0.025048 logG= -0.030542 Density= 0.108446 ETOT(band)= -0.114548 trlgG= -0.145894 logG= -0.030542 TDE= -0.169017 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005502 tlogG= -0.024557 logG= -0.030058 logGD-logG0= -0.005449 tlogG= -0.024835 logG= -0.030284 Density= 0.107738 ETOT(band)= -0.114523 trlgG= -0.145168 logG= -0.030058 TDE= -0.168423 Density= 0.108001 ETOT(band)= -0.114561 trlgG= -0.145487 logG= -0.030284 TDE= -0.168647 logGD-logG0= -0.005264 tlogG= -0.024470 logG= -0.029734 Density= 0.107381 ETOT(band)= -0.114495 trlgG= -0.144883 logG= -0.029734 TDE= -0.168287 logGD-logG0= -0.005462 tlogG= -0.025002 logG= -0.030465 Density= 0.108534 ETOT(band)= -0.114464 trlgG= -0.145772 logG= -0.030465 TDE= -0.169015 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.024969 logG= -0.030178 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107891 ETOT(band)= -0.114561 trlgG= -0.145581 logG= -0.030178 TDE= -0.168792 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.024573 logG= -0.029622 Density= 0.107828 ETOT(band)= -0.114295 trlgG= -0.144881 logG= -0.029622 TDE= -0.168618 logGD-logG0= -0.005513 tlogG= -0.024791 logG= -0.030304 Density= 0.108373 ETOT(band)= -0.114428 trlgG= -0.145506 logG= -0.030304 TDE= -0.168830 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.024724 logG= -0.029892 Density= 0.107061 ETOT(band)= -0.114718 trlgG= -0.145427 logG= -0.029892 TDE= -0.168515 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.024533 logG= -0.029837 Density= 0.108878 ETOT(band)= -0.113939 trlgG= -0.144758 logG= -0.029837 TDE= -0.168799 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.024947 logG= -0.030045 Density= 0.107448 ETOT(band)= -0.114671 trlgG= -0.145648 logG= -0.030045 TDE= -0.168773 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001791 tlogG= -0.007579 logG= -0.009370 Density= 0.035975 ETOT(band)= -0.037784 trlgG= -0.047380 logG= -0.009370 TDE= -0.055812 logGD-logG0= -0.005439 tlogG= -0.024974 logG= -0.030413 logGD-logG0= -0.004599 tlogG= -0.024886 logG= -0.029486 Density= 0.106050 ETOT(band)= -0.114947 trlgG= -0.145651 logG= -0.029486 TDE= -0.168644 Density= 0.108601 ETOT(band)= -0.114400 trlgG= -0.145686 logG= -0.030413 TDE= -0.169014 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.023741 logG= -0.028712 logGD-logG0= -0.005480 tlogG= -0.024506 logG= -0.029986 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108430 ETOT(band)= -0.114207 trlgG= -0.144999 logG= -0.029986 TDE= -0.168669 Density= 0.107616 ETOT(band)= -0.113888 trlgG= -0.143612 logG= -0.028712 TDE= -0.168155 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009930 tlogG= -0.047539 logG= -0.057469 logGD-logG0= -0.009656 tlogG= -0.049295 logG= -0.058951 Density= 0.215801 ETOT(band)= -0.227556 trlgG= -0.287068 logG= -0.057469 TDE= -0.336388 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213163 ETOT(band)= -0.229436 trlgG= -0.290463 logG= -0.058951 TDE= -0.336996 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010219 tlogG= -0.049997 logG= -0.060216 Density= 0.215281 ETOT(band)= -0.229263 trlgG= -0.291335 logG= -0.060216 TDE= -0.337651 logGD-logG0= -0.010086 tlogG= -0.048935 logG= -0.059021 Density= 0.214317 ETOT(band)= -0.229017 trlgG= -0.289931 logG= -0.059021 TDE= -0.336965 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.045198 logG= -0.055674 Density= 0.217356 ETOT(band)= -0.225650 trlgG= -0.283224 logG= -0.055674 TDE= -0.335109 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010357 tlogG= -0.049661 logG= -0.060017 Density= 0.214748 ETOT(band)= -0.229328 trlgG= -0.291057 logG= -0.060017 TDE= -0.337307 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010937 tlogG= -0.049491 logG= -0.060428 Density= 0.215851 ETOT(band)= -0.229088 trlgG= -0.290752 logG= -0.060428 TDE= -0.337138 logGD-logG0= -0.010900 tlogG= -0.049817 logG= -0.060716 Density= 0.216226 ETOT(band)= -0.229128 trlgG= -0.291184 logG= -0.060716 TDE= -0.337467 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.047425 logG= -0.057724 Density= 0.216088 ETOT(band)= -0.227547 trlgG= -0.286984 logG= -0.057724 TDE= -0.336190 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010740 tlogG= -0.049728 logG= -0.060468 logGD-logG0= -0.010796 tlogG= -0.049538 logG= -0.060334 logGD-logG0= -0.010974 tlogG= -0.049757 logG= -0.060731 Density= 0.216282 ETOT(band)= -0.229108 trlgG= -0.291197 logG= -0.060731 TDE= -0.337493 Density= 0.215715 ETOT(band)= -0.229093 trlgG= -0.290771 logG= -0.060334 TDE= -0.337183 Density= 0.216217 ETOT(band)= -0.228990 trlgG= -0.290850 logG= -0.060468 TDE= -0.337377 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010482 tlogG= -0.049784 logG= -0.060266 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215512 ETOT(band)= -0.229159 trlgG= -0.291047 logG= -0.060266 TDE= -0.337428 logGD-logG0= -0.010602 tlogG= -0.048181 logG= -0.058783 Density= 0.216297 ETOT(band)= -0.228025 trlgG= -0.288271 logG= -0.058783 TDE= -0.336522 logGD-logG0= -0.011059 tlogG= -0.049916 logG= -0.060975 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.049219 logG= -0.059087 Density= 0.216662 ETOT(band)= -0.229117 trlgG= -0.291605 logG= -0.060975 TDE= -0.337845 Density= 0.214989 ETOT(band)= -0.228816 trlgG= -0.290018 logG= -0.059087 TDE= -0.337319 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010941 tlogG= -0.049373 logG= -0.060315 Density= 0.216983 ETOT(band)= -0.228565 trlgG= -0.290539 logG= -0.060315 TDE= -0.337598 logGD-logG0= -0.010603 tlogG= -0.049410 logG= -0.060013 logGD-logG0= -0.010926 tlogG= -0.049726 logG= -0.060652 Density= 0.217061 ETOT(band)= -0.228746 trlgG= -0.291084 logG= -0.060652 TDE= -0.337844 logGD-logG0= -0.010876 tlogG= -0.049776 logG= -0.060652 Density= 0.214772 ETOT(band)= -0.229286 trlgG= -0.290788 logG= -0.060013 TDE= -0.337055 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.022523 logG= -0.027610 Density= 0.109131 ETOT(band)= -0.112450 trlgG= -0.141173 logG= -0.027610 TDE= -0.167567 logGD-logG0= -0.010841 tlogG= -0.049046 logG= -0.059887 Density= 0.215198 ETOT(band)= -0.229040 trlgG= -0.290212 logG= -0.059887 TDE= -0.336816 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.022708 logG= -0.028016 Density= 0.108256 ETOT(band)= -0.113137 trlgG= -0.141952 logG= -0.028016 TDE= -0.167507 Density= 0.217209 ETOT(band)= -0.228677 trlgG= -0.291083 logG= -0.060652 TDE= -0.337916 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010994 tlogG= -0.049179 logG= -0.060173 Density= 0.216695 ETOT(band)= -0.228616 trlgG= -0.290319 logG= -0.060173 TDE= -0.337378 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010212 tlogG= -0.048991 logG= -0.059203 Density= 0.215328 ETOT(band)= -0.228684 trlgG= -0.289708 logG= -0.059203 TDE= -0.337061 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010515 tlogG= -0.048913 logG= -0.059428 Density= 0.216243 ETOT(band)= -0.228409 trlgG= -0.289399 logG= -0.059428 TDE= -0.336979 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001687 tlogG= -0.007314 logG= -0.009001 Density= 0.036402 ETOT(band)= -0.037322 trlgG= -0.046704 logG= -0.009001 TDE= -0.055717 logGD-logG0= -0.011003 tlogG= -0.048676 logG= -0.059678 logGD-logG0= -0.002587 tlogG= -0.011286 logG= -0.013873 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216638 ETOT(band)= -0.228354 trlgG= -0.289550 logG= -0.059678 TDE= -0.337075 Density= 0.054324 ETOT(band)= -0.056389 trlgG= -0.070731 logG= -0.013873 TDE= -0.083740 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001581 tlogG= -0.008087 logG= -0.009668 Density= 0.035504 ETOT(band)= -0.038176 trlgG= -0.048213 logG= -0.009668 TDE= -0.056114 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023125 logG= -0.028289 Density= 0.108974 ETOT(band)= -0.112971 trlgG= -0.142314 logG= -0.028289 TDE= -0.167951 logGD-logG0= -0.005253 tlogG= -0.022585 logG= -0.027838 Density= 0.108422 ETOT(band)= -0.112944 trlgG= -0.141642 logG= -0.027838 TDE= -0.167456 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001279 tlogG= -0.005857 logG= -0.007136 Density= 0.081178 ETOT(band)= -0.085178 trlgG= -0.107459 logG= -0.007136 TDE= -0.042040 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.024806 logG= -0.029650 Density= 0.213062 ETOT(band)= -0.229647 trlgG= -0.291062 logG= -0.029650 TDE= -0.168562 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.023909 logG= -0.029249 Density= 0.217491 ETOT(band)= -0.227148 trlgG= -0.287140 logG= -0.029249 TDE= -0.168355 logGD-logG0= -0.005372 tlogG= -0.024347 logG= -0.029719 Density= 0.217509 ETOT(band)= -0.227692 trlgG= -0.288696 logG= -0.029719 TDE= -0.168631 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005627 tlogG= -0.024249 logG= -0.029876 Density= 0.216245 ETOT(band)= -0.228391 trlgG= -0.289228 logG= -0.029876 TDE= -0.168381 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.024259 logG= -0.029134 Density= 0.214748 ETOT(band)= -0.228684 trlgG= -0.289473 logG= -0.029134 TDE= -0.168490 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.024061 logG= -0.029456 Density= 0.215852 ETOT(band)= -0.228068 trlgG= -0.287965 logG= -0.029456 TDE= -0.168162 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024134 logG= -0.029135 Density= 0.213873 ETOT(band)= -0.228984 trlgG= -0.289485 logG= -0.029135 TDE= -0.168319 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.021955 logG= -0.026968 Density= 0.109344 ETOT(band)= -0.111876 trlgG= -0.140033 logG= -0.026968 TDE= -0.167173 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001315 tlogG= -0.006089 logG= -0.007404 Density= 0.081025 ETOT(band)= -0.085779 trlgG= -0.108969 logG= -0.007404 TDE= -0.042175 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001321 tlogG= -0.006214 logG= -0.007535 Density= 0.081561 ETOT(band)= -0.085679 trlgG= -0.109077 logG= -0.007535 TDE= -0.042257 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.025028 logG= -0.030259 Density= 0.215793 ETOT(band)= -0.229211 trlgG= -0.291225 logG= -0.030259 TDE= -0.168820 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001322 tlogG= -0.006170 logG= -0.007492 Density= 0.081288 ETOT(band)= -0.085780 trlgG= -0.109038 logG= -0.007492 TDE= -0.042228 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.024685 logG= -0.030058 Density= 0.217621 ETOT(band)= -0.228059 trlgG= -0.289867 logG= -0.030058 TDE= -0.168863 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005575 tlogG= -0.024607 logG= -0.030182 Density= 0.216641 ETOT(band)= -0.228613 trlgG= -0.290304 logG= -0.030182 TDE= -0.168671 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009490 tlogG= -0.049764 logG= -0.059254 Density= 0.425918 ETOT(band)= -0.459168 trlgG= -0.581656 logG= -0.059254 TDE= -0.337221 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.022263 logG= -0.027353 Density= 0.163597 ETOT(band)= -0.169327 trlgG= -0.213393 logG= -0.027353 TDE= -0.167381 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010353 tlogG= -0.048173 logG= -0.058526 Density= 0.431258 ETOT(band)= -0.455918 trlgG= -0.575548 logG= -0.058526 TDE= -0.336515 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.024875 logG= -0.030232 Density= 0.217746 ETOT(band)= -0.228255 trlgG= -0.290556 logG= -0.030232 TDE= -0.169001 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005531 tlogG= -0.024816 logG= -0.030348 Density= 0.216921 ETOT(band)= -0.228753 trlgG= -0.290976 logG= -0.030348 TDE= -0.168848 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009996 tlogG= -0.048369 logG= -0.058366 Density= 0.428939 ETOT(band)= -0.456769 trlgG= -0.576283 logG= -0.058366 TDE= -0.336494 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.024721 logG= -0.029588 Density= 0.213718 ETOT(band)= -0.229169 trlgG= -0.289982 logG= -0.029588 TDE= -0.168514 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.049314 logG= -0.059489 Density= 0.427714 ETOT(band)= -0.458878 trlgG= -0.581444 logG= -0.059489 TDE= -0.336932 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010122 tlogG= -0.049430 logG= -0.059552 Density= 0.428425 ETOT(band)= -0.458347 trlgG= -0.580260 logG= -0.059552 TDE= -0.336925 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001235 tlogG= -0.005414 logG= -0.006649 Density= 0.062641 ETOT(band)= -0.066226 trlgG= -0.083445 logG= -0.006649 TDE= -0.041739 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010416 tlogG= -0.046402 logG= -0.056818 Density= 0.325975 ETOT(band)= -0.339394 trlgG= -0.426978 logG= -0.056818 TDE= -0.335724 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.023740 logG= -0.028973 Density= 0.215625 ETOT(band)= -0.227607 trlgG= -0.286652 logG= -0.028973 TDE= -0.168026 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005548 logG= -0.006799 Density= 0.082037 ETOT(band)= -0.083877 trlgG= -0.104987 logG= -0.006799 TDE= -0.041838 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004766 tlogG= -0.024417 logG= -0.029183 Density= 0.212617 ETOT(band)= -0.229519 trlgG= -0.290424 logG= -0.029183 TDE= -0.168409 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.024571 logG= -0.029279 Density= 0.213273 ETOT(band)= -0.229037 trlgG= -0.289359 logG= -0.029279 TDE= -0.168491 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001646 tlogG= -0.007198 logG= -0.008844 Density= 0.041095 ETOT(band)= -0.041772 trlgG= -0.052191 logG= -0.008844 TDE= -0.055635 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001299 tlogG= -0.005983 logG= -0.007283 Density= 0.080953 ETOT(band)= -0.085602 trlgG= -0.108456 logG= -0.007283 TDE= -0.042113 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004573 tlogG= -0.024968 logG= -0.029541 Density= 0.212011 ETOT(band)= -0.229956 trlgG= -0.291439 logG= -0.029541 TDE= -0.168681 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.024918 logG= -0.030316 Density= 0.216955 ETOT(band)= -0.228851 trlgG= -0.291244 logG= -0.030316 TDE= -0.169003 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010277 tlogG= -0.046403 logG= -0.056681 Density= 0.433559 ETOT(band)= -0.452488 trlgG= -0.568527 logG= -0.056681 TDE= -0.335609 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005427 tlogG= -0.024721 logG= -0.030148 Density= 0.216499 ETOT(band)= -0.228794 trlgG= -0.290837 logG= -0.030148 TDE= -0.168852 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.024917 logG= -0.030281 Density= 0.217710 ETOT(band)= -0.228355 trlgG= -0.290781 logG= -0.030281 TDE= -0.169026 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001526 tlogG= -0.008243 logG= -0.009769 Density= 0.070843 ETOT(band)= -0.076473 trlgG= -0.096691 logG= -0.009769 TDE= -0.056196 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005450 tlogG= -0.024378 logG= -0.029828 Density= 0.216284 ETOT(band)= -0.228415 trlgG= -0.289640 logG= -0.029828 TDE= -0.168601 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.024887 logG= -0.029874 Density= 0.322829 ETOT(band)= -0.343823 trlgG= -0.436794 logG= -0.029874 TDE= -0.168804 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024721 logG= -0.030008 Density= 0.216708 ETOT(band)= -0.228773 trlgG= -0.290831 logG= -0.030008 TDE= -0.168633 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001751 tlogG= -0.007437 logG= -0.009189 Density= 0.072613 ETOT(band)= -0.074874 trlgG= -0.093759 logG= -0.009189 TDE= -0.055786 logGD-logG0= -0.001669 tlogG= -0.007866 logG= -0.009536 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.071703 ETOT(band)= -0.075783 trlgG= -0.095211 logG= -0.009536 TDE= -0.055976 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010608 tlogG= -0.047406 logG= -0.058014 Density= 0.325829 ETOT(band)= -0.340586 trlgG= -0.429860 logG= -0.058014 TDE= -0.336373 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.025033 logG= -0.030290 Density= 0.324114 ETOT(band)= -0.343754 trlgG= -0.436906 logG= -0.030290 TDE= -0.168820 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024832 logG= -0.030119 Density= 0.215300 ETOT(band)= -0.229163 trlgG= -0.290699 logG= -0.030119 TDE= -0.168640 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.023183 logG= -0.028359 Density= 0.214808 ETOT(band)= -0.227774 trlgG= -0.286689 logG= -0.028359 TDE= -0.167756 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005485 tlogG= -0.025037 logG= -0.030522 Density= 0.217005 ETOT(band)= -0.228991 trlgG= -0.291636 logG= -0.030522 TDE= -0.169019 logGD-logG0= -0.005460 tlogG= -0.024956 logG= -0.030416 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324901 ETOT(band)= -0.343668 trlgG= -0.437288 logG= -0.030416 TDE= -0.168829 logGD-logG0= -0.010753 tlogG= -0.049626 logG= -0.060379 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010773 tlogG= -0.048286 logG= -0.059059 Density= 0.326365 ETOT(band)= -0.342434 trlgG= -0.435677 logG= -0.060379 TDE= -0.337894 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325887 ETOT(band)= -0.341461 trlgG= -0.432365 logG= -0.059059 TDE= -0.336971 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.024711 logG= -0.029886 Density= 0.214541 ETOT(band)= -0.229160 trlgG= -0.290169 logG= -0.029886 TDE= -0.168428 logGD-logG0= -0.010787 tlogG= -0.049089 logG= -0.059876 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326104 ETOT(band)= -0.342078 trlgG= -0.434370 logG= -0.059876 TDE= -0.337510 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010115 tlogG= -0.048375 logG= -0.058491 logGD-logG0= -0.011039 tlogG= -0.049856 logG= -0.060896 Density= 0.325120 ETOT(band)= -0.343462 trlgG= -0.436984 logG= -0.060896 TDE= -0.337840 Density= 0.324111 ETOT(band)= -0.341764 trlgG= -0.431884 logG= -0.058491 TDE= -0.336807 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.024721 logG= -0.029768 logGD-logG0= -0.005245 tlogG= -0.024128 logG= -0.029373 Density= 0.214153 ETOT(band)= -0.229387 trlgG= -0.290815 logG= -0.029768 TDE= -0.168615 Density= 0.323087 ETOT(band)= -0.343226 trlgG= -0.434883 logG= -0.029373 TDE= -0.168322 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023305 logG= -0.028519 Density= 0.215813 ETOT(band)= -0.226908 trlgG= -0.285016 logG= -0.028519 TDE= -0.167770 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004905 tlogG= -0.024256 logG= -0.029161 Density= 0.322665 ETOT(band)= -0.342942 trlgG= -0.434383 logG= -0.029161 TDE= -0.168488 logGD-logG0= -0.005517 tlogG= -0.024875 logG= -0.030391 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325602 ETOT(band)= -0.343146 trlgG= -0.436732 logG= -0.030391 TDE= -0.168896 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.024889 logG= -0.029844 Density= 0.214849 ETOT(band)= -0.229279 trlgG= -0.291148 logG= -0.029844 TDE= -0.168804 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010564 tlogG= -0.049895 logG= -0.060459 Density= 0.431391 ETOT(band)= -0.458347 trlgG= -0.582033 logG= -0.060459 TDE= -0.337482 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009940 tlogG= -0.048384 logG= -0.058324 Density= 0.429288 ETOT(band)= -0.457411 trlgG= -0.578678 logG= -0.058324 TDE= -0.336802 logGD-logG0= -0.010065 tlogG= -0.049605 logG= -0.059670 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429528 ETOT(band)= -0.458503 trlgG= -0.581859 logG= -0.059670 TDE= -0.337416 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010727 tlogG= -0.049707 logG= -0.060434 logGD-logG0= -0.010698 tlogG= -0.049966 logG= -0.060663 Density= 0.432322 ETOT(band)= -0.458287 trlgG= -0.582479 logG= -0.060663 TDE= -0.337525 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431291 ETOT(band)= -0.458301 trlgG= -0.581822 logG= -0.060434 TDE= -0.337295 logGD-logG0= -0.010905 tlogG= -0.049816 logG= -0.060721 Density= 0.432451 ETOT(band)= -0.458114 trlgG= -0.582030 logG= -0.060721 TDE= -0.337462 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011074 tlogG= -0.049477 logG= -0.060551 Density= 0.433189 ETOT(band)= -0.457527 trlgG= -0.581230 logG= -0.060551 TDE= -0.337491 logGD-logG0= -0.005253 tlogG= -0.022833 logG= -0.028086 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217802 ETOT(band)= -0.225436 trlgG= -0.283193 logG= -0.028086 TDE= -0.167709 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010239 tlogG= -0.049615 logG= -0.059854 Density= 0.431046 ETOT(band)= -0.458111 trlgG= -0.581678 logG= -0.059854 TDE= -0.337434 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.049418 logG= -0.060091 Density= 0.430086 ETOT(band)= -0.458320 trlgG= -0.581022 logG= -0.060091 TDE= -0.337056 logGD-logG0= -0.011086 tlogG= -0.049532 logG= -0.060618 Density= 0.433611 ETOT(band)= -0.457457 trlgG= -0.581561 logG= -0.060618 TDE= -0.337603 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010731 tlogG= -0.048693 logG= -0.059424 Density= 0.431967 ETOT(band)= -0.456635 trlgG= -0.577673 logG= -0.059424 TDE= -0.336703 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011015 tlogG= -0.049851 logG= -0.060866 logGD-logG0= -0.010411 tlogG= -0.049322 logG= -0.059734 Density= 0.430287 ETOT(band)= -0.457772 trlgG= -0.580184 logG= -0.059734 TDE= -0.337115 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.433889 ETOT(band)= -0.457723 trlgG= -0.582516 logG= -0.060866 TDE= -0.337863 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023217 logG= -0.028287 logGD-logG0= -0.010659 tlogG= -0.049325 logG= -0.059984 Density= 0.324125 ETOT(band)= -0.340843 trlgG= -0.429598 logG= -0.028287 TDE= -0.167847 Density= 0.432176 ETOT(band)= -0.457234 trlgG= -0.579661 logG= -0.059984 TDE= -0.337133 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011134 tlogG= -0.049019 logG= -0.060152 Density= 0.432850 ETOT(band)= -0.457135 trlgG= -0.579824 logG= -0.060152 TDE= -0.337115 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022169 logG= -0.027299 Density= 0.217423 ETOT(band)= -0.225232 trlgG= -0.282300 logG= -0.027299 TDE= -0.167299 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005285 tlogG= -0.023382 logG= -0.028666 Density= 0.217571 ETOT(band)= -0.226382 trlgG= -0.285276 logG= -0.028666 TDE= -0.168035 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005707 logG= -0.006976 Density= 0.081620 ETOT(band)= -0.084546 trlgG= -0.106146 logG= -0.006976 TDE= -0.041947 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005030 tlogG= -0.023217 logG= -0.028247 Density= 0.215772 ETOT(band)= -0.227232 trlgG= -0.286188 logG= -0.028247 TDE= -0.167850 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005169 tlogG= -0.022312 logG= -0.027480 Density= 0.218229 ETOT(band)= -0.224352 trlgG= -0.281020 logG= -0.027480 TDE= -0.167389 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -318.043236278205 eV TrLogG= -403.497694457833 eV Ratio to renormalize= 0.995625347920 rho-rho_expected= 0.096665222485 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 51) Finished k-point number 104 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962411401442425 0.935919623395321 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002438 tlogG= -0.012384 logG= -0.014822 Density= 0.053731 ETOT(band)= -0.057304 trlgG= -0.072679 logG= -0.014822 TDE= -0.084446 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024977 logG= -0.029806 Density= 0.106564 ETOT(band)= -0.114989 trlgG= -0.145829 logG= -0.029806 TDE= -0.168757 logGD-logG0= -0.005502 tlogG= -0.024672 logG= -0.030174 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107772 ETOT(band)= -0.114688 trlgG= -0.145447 logG= -0.030174 TDE= -0.168604 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023813 logG= -0.028997 Density= 0.108923 ETOT(band)= -0.113579 trlgG= -0.143577 logG= -0.028997 TDE= -0.168481 logGD-logG0= -0.000204 tlogG= -0.000899 logG= -0.001102 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004572 ETOT(band)= -0.004640 trlgG= -0.005798 logG= -0.001102 TDE= -0.006958 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.025062 logG= -0.030159 Density= 0.107484 ETOT(band)= -0.114833 trlgG= -0.145925 logG= -0.030159 TDE= -0.168954 logGD-logG0= -0.001587 tlogG= -0.008120 logG= -0.009706 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001504 tlogG= -0.008356 logG= -0.009860 Density= 0.035267 ETOT(band)= -0.038407 trlgG= -0.048696 logG= -0.009860 TDE= -0.056287 Density= 0.035521 ETOT(band)= -0.038227 trlgG= -0.048297 logG= -0.009706 TDE= -0.056168 logGD-logG0= -0.005479 tlogG= -0.024234 logG= -0.029712 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108301 ETOT(band)= -0.114231 trlgG= -0.144701 logG= -0.029712 TDE= -0.168581 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.024985 logG= -0.029599 Density= 0.106100 ETOT(band)= -0.115099 trlgG= -0.145904 logG= -0.029599 TDE= -0.168808 logGD-logG0= -0.002588 tlogG= -0.011344 logG= -0.013932 Density= 0.054340 ETOT(band)= -0.056474 trlgG= -0.070881 logG= -0.013932 TDE= -0.083839 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004642 tlogG= -0.024907 logG= -0.029549 Density= 0.106165 ETOT(band)= -0.115052 trlgG= -0.145786 logG= -0.029549 TDE= -0.168773 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.024130 logG= -0.029053 Density= 0.106943 ETOT(band)= -0.114476 trlgG= -0.144485 logG= -0.029053 TDE= -0.168353 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002713 tlogG= -0.012522 logG= -0.015236 Density= 0.054064 ETOT(band)= -0.057370 trlgG= -0.072945 logG= -0.015236 TDE= -0.084463 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.023914 logG= -0.028928 Density= 0.107112 ETOT(band)= -0.114338 trlgG= -0.144146 logG= -0.028928 TDE= -0.168223 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.024426 logG= -0.029450 Density= 0.107072 ETOT(band)= -0.114611 trlgG= -0.144931 logG= -0.029450 TDE= -0.168466 logGD-logG0= -0.002530 tlogG= -0.012578 logG= -0.015107 logGD-logG0= -0.002449 tlogG= -0.011950 logG= -0.014399 Density= 0.053809 ETOT(band)= -0.057412 trlgG= -0.073005 logG= -0.015107 TDE= -0.084525 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053932 ETOT(band)= -0.056975 trlgG= -0.071915 logG= -0.014399 TDE= -0.084203 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.023413 logG= -0.028651 Density= 0.108139 ETOT(band)= -0.113718 trlgG= -0.143140 logG= -0.028651 TDE= -0.168002 logGD-logG0= -0.005149 tlogG= -0.023258 logG= -0.028407 Density= 0.109003 ETOT(band)= -0.113144 trlgG= -0.142617 logG= -0.028407 TDE= -0.168149 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005187 tlogG= -0.023540 logG= -0.028728 Density= 0.108853 ETOT(band)= -0.113454 trlgG= -0.143161 logG= -0.028728 TDE= -0.168299 logGD-logG0= -0.002644 tlogG= -0.012509 logG= -0.015153 Density= 0.054492 ETOT(band)= -0.057138 trlgG= -0.072807 logG= -0.015153 TDE= -0.084619 logGD-logG0= -0.001797 tlogG= -0.007612 logG= -0.009409 logGD-logG0= -0.005306 tlogG= -0.025001 logG= -0.030307 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108936 ETOT(band)= -0.114298 trlgG= -0.145615 logG= -0.030307 TDE= -0.169215 Density= 0.035988 ETOT(band)= -0.037839 trlgG= -0.047478 logG= -0.009409 TDE= -0.055878 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005498 tlogG= -0.025055 logG= -0.030553 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.024056 logG= -0.029312 logGD-logG0= -0.001682 tlogG= -0.007358 logG= -0.009040 Density= 0.036411 ETOT(band)= -0.037380 trlgG= -0.046806 logG= -0.009040 TDE= -0.055783 Density= 0.108275 ETOT(band)= -0.114729 trlgG= -0.146018 logG= -0.030553 TDE= -0.169045 Density= 0.108805 ETOT(band)= -0.113807 trlgG= -0.144074 logG= -0.029312 TDE= -0.168604 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005314 tlogG= -0.024820 logG= -0.030134 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108880 ETOT(band)= -0.114223 trlgG= -0.145342 logG= -0.030134 TDE= -0.169088 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.024495 logG= -0.029797 Density= 0.108820 ETOT(band)= -0.114065 trlgG= -0.144822 logG= -0.029797 TDE= -0.168874 logGD-logG0= -0.002492 tlogG= -0.010977 logG= -0.013469 Density= 0.054711 ETOT(band)= -0.055954 trlgG= -0.070032 logG= -0.013469 TDE= -0.083636 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005280 tlogG= -0.024568 logG= -0.029848 Density= 0.107418 ETOT(band)= -0.114657 trlgG= -0.145143 logG= -0.029848 TDE= -0.168451 logGD-logG0= -0.005210 tlogG= -0.025083 logG= -0.030294 Density= 0.107923 ETOT(band)= -0.114727 trlgG= -0.145860 logG= -0.030294 TDE= -0.168973 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005501 tlogG= -0.024919 logG= -0.030420 Density= 0.108403 ETOT(band)= -0.114597 trlgG= -0.145805 logG= -0.030420 TDE= -0.169028 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002708 tlogG= -0.012512 logG= -0.015220 Density= 0.054326 ETOT(band)= -0.057250 trlgG= -0.072920 logG= -0.015220 TDE= -0.084582 logGD-logG0= -0.005292 tlogG= -0.024925 logG= -0.030217 Density= 0.108957 ETOT(band)= -0.114236 trlgG= -0.145471 logG= -0.030217 TDE= -0.169171 logGD-logG0= -0.005478 tlogG= -0.025180 logG= -0.030657 Density= 0.108475 ETOT(band)= -0.114718 trlgG= -0.146193 logG= -0.030657 TDE= -0.169214 logGD-logG0= -0.005447 tlogG= -0.025134 logG= -0.030581 logGD-logG0= -0.005449 tlogG= -0.024950 logG= -0.030399 Density= 0.108563 ETOT(band)= -0.114634 trlgG= -0.146071 logG= -0.030581 TDE= -0.169212 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108034 ETOT(band)= -0.114728 trlgG= -0.145774 logG= -0.030399 TDE= -0.168835 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.024688 logG= -0.029738 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107862 ETOT(band)= -0.114460 trlgG= -0.145161 logG= -0.029738 TDE= -0.168798 logGD-logG0= -0.004971 tlogG= -0.024599 logG= -0.029570 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106794 ETOT(band)= -0.114805 trlgG= -0.145298 logG= -0.029570 TDE= -0.168575 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.024285 logG= -0.029537 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108884 ETOT(band)= -0.113895 trlgG= -0.144415 logG= -0.029537 TDE= -0.168759 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005329 tlogG= -0.023878 logG= -0.029207 Density= 0.108173 ETOT(band)= -0.114016 trlgG= -0.143943 logG= -0.029207 TDE= -0.168265 logGD-logG0= -0.005073 tlogG= -0.022656 logG= -0.027729 Density= 0.109161 ETOT(band)= -0.112624 trlgG= -0.141477 logG= -0.027729 TDE= -0.167766 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.024922 logG= -0.030355 Density= 0.108596 ETOT(band)= -0.114468 trlgG= -0.145699 logG= -0.030355 TDE= -0.169083 logGD-logG0= -0.005181 tlogG= -0.024825 logG= -0.030006 logGD-logG0= -0.005090 tlogG= -0.023852 logG= -0.028943 Density= 0.107100 ETOT(band)= -0.114878 trlgG= -0.145703 logG= -0.030006 TDE= -0.168696 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108279 ETOT(band)= -0.113838 trlgG= -0.143689 logG= -0.028943 TDE= -0.168328 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.024665 logG= -0.029954 Density= 0.108905 ETOT(band)= -0.114111 trlgG= -0.145059 logG= -0.029954 TDE= -0.168997 logGD-logG0= -0.005000 tlogG= -0.022089 logG= -0.027088 Density= 0.109372 ETOT(band)= -0.112051 trlgG= -0.140338 logG= -0.027088 TDE= -0.167372 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005464 tlogG= -0.024638 logG= -0.030103 Density= 0.108460 ETOT(band)= -0.114376 trlgG= -0.145298 logG= -0.030103 TDE= -0.168867 logGD-logG0= -0.005424 tlogG= -0.025105 logG= -0.030529 logGD-logG0= -0.004931 tlogG= -0.024689 logG= -0.029619 Density= 0.108630 ETOT(band)= -0.114571 trlgG= -0.145986 logG= -0.030529 TDE= -0.169212 Density= 0.107284 ETOT(band)= -0.114652 trlgG= -0.145323 logG= -0.029619 TDE= -0.168793 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009932 tlogG= -0.047771 logG= -0.057702 logGD-logG0= -0.004971 tlogG= -0.023857 logG= -0.028828 Density= 0.215875 ETOT(band)= -0.227885 trlgG= -0.287627 logG= -0.057702 TDE= -0.336750 Density= 0.107656 ETOT(band)= -0.114050 trlgG= -0.143890 logG= -0.028828 TDE= -0.168336 logGD-logG0= -0.010085 tlogG= -0.049165 logG= -0.059250 Density= 0.214397 ETOT(band)= -0.229338 trlgG= -0.290483 logG= -0.059250 TDE= -0.337327 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009687 tlogG= -0.049491 logG= -0.059178 logGD-logG0= -0.010219 tlogG= -0.050227 logG= -0.060446 Density= 0.213252 ETOT(band)= -0.229747 trlgG= -0.290974 logG= -0.059178 TDE= -0.337324 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.047597 logG= -0.057797 Density= 0.215080 ETOT(band)= -0.228263 trlgG= -0.287846 logG= -0.057797 TDE= -0.336481 Density= 0.215351 ETOT(band)= -0.229591 trlgG= -0.291892 logG= -0.060446 TDE= -0.338012 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010381 tlogG= -0.049009 logG= -0.059390 logGD-logG0= -0.010356 tlogG= -0.049890 logG= -0.060247 Density= 0.214525 ETOT(band)= -0.229308 trlgG= -0.290217 logG= -0.059390 TDE= -0.336984 Density= 0.214822 ETOT(band)= -0.229652 trlgG= -0.291611 logG= -0.060247 TDE= -0.337669 logGD-logG0= -0.010938 tlogG= -0.049720 logG= -0.060658 Density= 0.215916 ETOT(band)= -0.229421 trlgG= -0.291321 logG= -0.060658 TDE= -0.337509 logGD-logG0= -0.009868 tlogG= -0.049449 logG= -0.059317 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010742 tlogG= -0.049957 logG= -0.060699 Density= 0.215064 ETOT(band)= -0.229141 trlgG= -0.290573 logG= -0.059317 TDE= -0.337680 Density= 0.216280 ETOT(band)= -0.229325 trlgG= -0.291416 logG= -0.060699 TDE= -0.337743 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010902 tlogG= -0.050046 logG= -0.060947 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216289 ETOT(band)= -0.229463 trlgG= -0.291778 logG= -0.060947 TDE= -0.337861 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.047656 logG= -0.057958 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216158 ETOT(band)= -0.227879 trlgG= -0.287544 logG= -0.057958 TDE= -0.336553 logGD-logG0= -0.010797 tlogG= -0.049768 logG= -0.060564 Density= 0.215781 ETOT(band)= -0.229424 trlgG= -0.291330 logG= -0.060564 TDE= -0.337544 logGD-logG0= -0.010482 tlogG= -0.050014 logG= -0.060496 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215579 ETOT(band)= -0.229489 trlgG= -0.291605 logG= -0.060496 TDE= -0.337789 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010976 tlogG= -0.049986 logG= -0.060962 Density= 0.216344 ETOT(band)= -0.229443 trlgG= -0.291793 logG= -0.060962 TDE= -0.337888 logGD-logG0= -0.005308 tlogG= -0.022825 logG= -0.028133 logGD-logG0= -0.010604 tlogG= -0.048412 logG= -0.059016 logGD-logG0= -0.010099 tlogG= -0.049790 logG= -0.059889 Density= 0.216362 ETOT(band)= -0.228359 trlgG= -0.288838 logG= -0.059016 TDE= -0.336889 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108292 ETOT(band)= -0.113304 trlgG= -0.142250 logG= -0.028133 TDE= -0.167706 Density= 0.213881 ETOT(band)= -0.229806 trlgG= -0.291393 logG= -0.059889 TDE= -0.337343 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.022702 logG= -0.027956 logGD-logG0= -0.011035 tlogG= -0.050171 logG= -0.061207 Density= 0.108457 ETOT(band)= -0.113112 trlgG= -0.141941 logG= -0.027956 TDE= -0.167655 Density= 0.216721 ETOT(band)= -0.229454 trlgG= -0.292201 logG= -0.061207 TDE= -0.338239 logGD-logG0= -0.010984 tlogG= -0.049422 logG= -0.060405 logGD-logG0= -0.010212 tlogG= -0.049221 logG= -0.059433 Density= 0.215400 ETOT(band)= -0.229012 trlgG= -0.290265 logG= -0.059433 TDE= -0.337422 logGD-logG0= -0.010895 tlogG= -0.049990 logG= -0.060885 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.217119 ETOT(band)= -0.229086 trlgG= -0.291683 logG= -0.060885 TDE= -0.338239 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216755 ETOT(band)= -0.228954 trlgG= -0.290917 logG= -0.060405 TDE= -0.337773 logGD-logG0= -0.010602 tlogG= -0.049640 logG= -0.060242 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010845 tlogG= -0.050040 logG= -0.060885 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010910 tlogG= -0.049637 logG= -0.060547 Density= 0.217042 ETOT(band)= -0.228905 trlgG= -0.291138 logG= -0.060547 TDE= -0.337993 Density= 0.214844 ETOT(band)= -0.229611 trlgG= -0.291343 logG= -0.060242 TDE= -0.337417 logGD-logG0= -0.010842 tlogG= -0.049275 logG= -0.060117 Density= 0.215268 ETOT(band)= -0.229367 trlgG= -0.290769 logG= -0.060117 TDE= -0.337177 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217266 ETOT(band)= -0.229018 trlgG= -0.291682 logG= -0.060885 TDE= -0.338311 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010517 tlogG= -0.049143 logG= -0.059660 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216307 ETOT(band)= -0.228744 trlgG= -0.289961 logG= -0.059660 TDE= -0.337340 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010976 tlogG= -0.048935 logG= -0.059911 Density= 0.216700 ETOT(band)= -0.228691 trlgG= -0.290147 logG= -0.059911 TDE= -0.337470 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.022962 logG= -0.028117 Density= 0.108948 ETOT(band)= -0.112985 trlgG= -0.142149 logG= -0.028117 TDE= -0.167946 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010454 tlogG= -0.045457 logG= -0.055911 Density= 0.217421 ETOT(band)= -0.225989 trlgG= -0.283826 logG= -0.055911 TDE= -0.335506 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001296 tlogG= -0.006016 logG= -0.007312 Density= 0.080979 ETOT(band)= -0.085726 trlgG= -0.108670 logG= -0.007312 TDE= -0.042163 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024947 logG= -0.030233 Density= 0.215369 ETOT(band)= -0.229492 trlgG= -0.291256 logG= -0.030233 TDE= -0.168820 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004859 tlogG= -0.024904 logG= -0.029763 Density= 0.213151 ETOT(band)= -0.229958 trlgG= -0.291574 logG= -0.029763 TDE= -0.168726 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005614 tlogG= -0.024378 logG= -0.029992 Density= 0.216309 ETOT(band)= -0.228725 trlgG= -0.289824 logG= -0.029992 TDE= -0.168579 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.025004 logG= -0.029959 Density= 0.214922 ETOT(band)= -0.229604 trlgG= -0.291703 logG= -0.029959 TDE= -0.168985 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001531 tlogG= -0.008276 logG= -0.009807 Density= 0.070876 ETOT(band)= -0.076574 trlgG= -0.096859 logG= -0.009807 TDE= -0.056251 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024042 logG= -0.029366 Density= 0.217550 ETOT(band)= -0.227491 trlgG= -0.287742 logG= -0.029366 TDE= -0.168553 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001232 tlogG= -0.005447 logG= -0.006679 Density= 0.062665 ETOT(band)= -0.066320 trlgG= -0.083605 logG= -0.006679 TDE= -0.041788 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001266 tlogG= -0.005740 logG= -0.007006 logGD-logG0= -0.005269 tlogG= -0.023514 logG= -0.028784 Density= 0.081644 ETOT(band)= -0.084674 trlgG= -0.106372 logG= -0.007006 TDE= -0.041996 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.217631 ETOT(band)= -0.226724 trlgG= -0.285879 logG= -0.028784 TDE= -0.168234 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.024669 logG= -0.029393 Density= 0.213366 ETOT(band)= -0.229348 trlgG= -0.289870 logG= -0.029393 TDE= -0.168655 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024515 logG= -0.029297 Density= 0.212713 ETOT(band)= -0.229826 trlgG= -0.290931 logG= -0.029297 TDE= -0.168573 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004883 tlogG= -0.024820 logG= -0.029702 Density= 0.213803 ETOT(band)= -0.229484 trlgG= -0.290496 logG= -0.029702 TDE= -0.168678 logGD-logG0= -0.001642 tlogG= -0.007243 logG= -0.008885 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.041105 ETOT(band)= -0.041839 trlgG= -0.052306 logG= -0.008885 TDE= -0.055702 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004588 tlogG= -0.025066 logG= -0.029654 Density= 0.212110 ETOT(band)= -0.230258 trlgG= -0.291943 logG= -0.029654 TDE= -0.168845 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001318 tlogG= -0.006203 logG= -0.007521 Density= 0.081311 ETOT(band)= -0.085907 trlgG= -0.109260 logG= -0.007521 TDE= -0.042277 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001312 tlogG= -0.006122 logG= -0.007433 Density= 0.081049 ETOT(band)= -0.085904 trlgG= -0.109183 logG= -0.007433 TDE= -0.042225 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005890 logG= -0.007165 Density= 0.081204 ETOT(band)= -0.085303 trlgG= -0.107674 logG= -0.007165 TDE= -0.042090 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005383 tlogG= -0.025050 logG= -0.030432 Density= 0.217013 ETOT(band)= -0.229191 trlgG= -0.291842 logG= -0.030432 TDE= -0.169200 logGD-logG0= -0.001248 tlogG= -0.005581 logG= -0.006829 Density= 0.082058 ETOT(band)= -0.084009 trlgG= -0.105216 logG= -0.006829 TDE= -0.041888 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001675 tlogG= -0.007899 logG= -0.009574 Density= 0.071731 ETOT(band)= -0.075890 trlgG= -0.095396 logG= -0.009574 TDE= -0.056030 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001746 tlogG= -0.007482 logG= -0.009228 logGD-logG0= -0.005412 tlogG= -0.024853 logG= -0.030265 Density= 0.072634 ETOT(band)= -0.074988 trlgG= -0.093961 logG= -0.009228 TDE= -0.055852 Density= 0.216560 ETOT(band)= -0.229131 trlgG= -0.291416 logG= -0.030265 TDE= -0.169050 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.025049 logG= -0.030398 Density= 0.217764 ETOT(band)= -0.228699 trlgG= -0.291382 logG= -0.030398 TDE= -0.169223 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023849 logG= -0.029089 Density= 0.215700 ETOT(band)= -0.227935 trlgG= -0.287210 logG= -0.029089 TDE= -0.168208 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023299 logG= -0.028475 Density= 0.214892 ETOT(band)= -0.228095 trlgG= -0.287224 logG= -0.028475 TDE= -0.167938 logGD-logG0= -0.001318 tlogG= -0.006247 logG= -0.007564 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081582 ETOT(band)= -0.085807 trlgG= -0.109302 logG= -0.007564 TDE= -0.042306 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005437 tlogG= -0.024507 logG= -0.029944 Density= 0.216348 ETOT(band)= -0.228750 trlgG= -0.290219 logG= -0.029944 TDE= -0.168798 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.024836 logG= -0.030124 Density= 0.216768 ETOT(band)= -0.229111 trlgG= -0.291411 logG= -0.030124 TDE= -0.168814 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010608 tlogG= -0.047640 logG= -0.058248 Density= 0.325922 ETOT(band)= -0.341096 trlgG= -0.430762 logG= -0.058248 TDE= -0.336769 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.024809 logG= -0.030001 Density= 0.214617 ETOT(band)= -0.229482 trlgG= -0.290688 logG= -0.030001 TDE= -0.168592 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.025002 logG= -0.029989 Density= 0.322934 ETOT(band)= -0.344314 trlgG= -0.437629 logG= -0.029989 TDE= -0.168985 logGD-logG0= -0.005257 tlogG= -0.025148 logG= -0.030405 Density= 0.324209 ETOT(band)= -0.344254 trlgG= -0.437779 logG= -0.030405 TDE= -0.169001 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005469 tlogG= -0.025169 logG= -0.030638 Density= 0.217063 ETOT(band)= -0.229330 trlgG= -0.292234 logG= -0.030638 TDE= -0.169216 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.049889 logG= -0.060612 Density= 0.326448 ETOT(band)= -0.342948 trlgG= -0.436579 logG= -0.060612 TDE= -0.338289 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.025007 logG= -0.030349 Density= 0.217800 ETOT(band)= -0.228600 trlgG= -0.291158 logG= -0.030349 TDE= -0.169199 logGD-logG0= -0.005515 tlogG= -0.024948 logG= -0.030463 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216980 ETOT(band)= -0.229092 trlgG= -0.291574 logG= -0.030463 TDE= -0.169045 logGD-logG0= -0.005231 tlogG= -0.025143 logG= -0.030374 Density= 0.215859 ETOT(band)= -0.229542 trlgG= -0.291791 logG= -0.030374 TDE= -0.169000 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004905 tlogG= -0.024371 logG= -0.029276 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011008 tlogG= -0.050119 logG= -0.061127 Density= 0.325209 ETOT(band)= -0.343969 trlgG= -0.437880 logG= -0.061127 TDE= -0.338234 logGD-logG0= -0.010742 tlogG= -0.048550 logG= -0.059293 Density= 0.322777 ETOT(band)= -0.343431 trlgG= -0.435217 logG= -0.029276 TDE= -0.168669 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325975 ETOT(band)= -0.341972 trlgG= -0.433267 logG= -0.059293 TDE= -0.337366 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005461 tlogG= -0.025071 logG= -0.030531 Density= 0.324990 ETOT(band)= -0.344173 trlgG= -0.438182 logG= -0.030531 TDE= -0.169027 logGD-logG0= -0.005357 tlogG= -0.024479 logG= -0.029836 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217566 ETOT(band)= -0.228035 trlgG= -0.289298 logG= -0.029836 TDE= -0.168828 logGD-logG0= -0.005238 tlogG= -0.022966 logG= -0.028204 logGD-logG0= -0.010756 tlogG= -0.049353 logG= -0.060109 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326189 ETOT(band)= -0.342591 trlgG= -0.435272 logG= -0.060109 TDE= -0.337905 Density= 0.217863 ETOT(band)= -0.225779 trlgG= -0.283797 logG= -0.028204 TDE= -0.167908 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.024249 logG= -0.029250 logGD-logG0= -0.005246 tlogG= -0.024243 logG= -0.029489 Density= 0.213959 ETOT(band)= -0.229300 trlgG= -0.290018 logG= -0.029250 TDE= -0.168500 Density= 0.323191 ETOT(band)= -0.343719 trlgG= -0.435725 logG= -0.029489 TDE= -0.168508 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010117 tlogG= -0.048606 logG= -0.058723 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324214 ETOT(band)= -0.342262 trlgG= -0.432725 logG= -0.058723 TDE= -0.337169 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.024836 logG= -0.029882 Density= 0.214231 ETOT(band)= -0.229707 trlgG= -0.291367 logG= -0.029882 TDE= -0.168796 logGD-logG0= -0.005154 tlogG= -0.022445 logG= -0.027599 Density= 0.218289 ETOT(band)= -0.224698 trlgG= -0.281627 logG= -0.027599 TDE= -0.167588 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005559 tlogG= -0.024739 logG= -0.030298 logGD-logG0= -0.005357 tlogG= -0.024817 logG= -0.030174 Density= 0.217676 ETOT(band)= -0.228402 trlgG= -0.290469 logG= -0.030174 TDE= -0.169060 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.024176 logG= -0.029571 Density= 0.216702 ETOT(band)= -0.228951 trlgG= -0.290901 logG= -0.030298 TDE= -0.168869 logGD-logG0= -0.005501 tlogG= -0.025006 logG= -0.030507 Density= 0.325688 ETOT(band)= -0.343656 trlgG= -0.437629 logG= -0.030507 TDE= -0.169093 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215922 ETOT(band)= -0.228399 trlgG= -0.288538 logG= -0.029571 TDE= -0.168343 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010565 tlogG= -0.050124 logG= -0.060689 Density= 0.431524 ETOT(band)= -0.459010 trlgG= -0.583159 logG= -0.060689 TDE= -0.337843 logGD-logG0= -0.010029 tlogG= -0.048566 logG= -0.058595 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429105 ETOT(band)= -0.457407 trlgG= -0.577353 logG= -0.058595 TDE= -0.336822 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010064 tlogG= -0.049835 logG= -0.059899 Density= 0.429675 ETOT(band)= -0.459152 trlgG= -0.582967 logG= -0.059899 TDE= -0.337777 logGD-logG0= -0.004875 tlogG= -0.024375 logG= -0.029250 Density= 0.214826 ETOT(band)= -0.229007 trlgG= -0.290027 logG= -0.029250 TDE= -0.168671 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.022396 logG= -0.027472 logGD-logG0= -0.009520 tlogG= -0.049961 logG= -0.059481 Density= 0.426098 ETOT(band)= -0.459788 trlgG= -0.582677 logG= -0.059481 TDE= -0.337549 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.163640 ETOT(band)= -0.169587 trlgG= -0.213847 logG= -0.027472 TDE= -0.167580 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010907 tlogG= -0.050045 logG= -0.060952 Density= 0.432576 ETOT(band)= -0.458783 trlgG= -0.583190 logG= -0.060952 TDE= -0.337856 logGD-logG0= -0.009940 tlogG= -0.048615 logG= -0.058555 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429445 ETOT(band)= -0.458055 trlgG= -0.579785 logG= -0.058555 TDE= -0.337164 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010727 tlogG= -0.049937 logG= -0.060664 Density= 0.431423 ETOT(band)= -0.458963 trlgG= -0.582939 logG= -0.060664 TDE= -0.337656 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011068 tlogG= -0.049715 logG= -0.060783 Density= 0.433310 ETOT(band)= -0.458201 trlgG= -0.582424 logG= -0.060783 TDE= -0.337886 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.050195 logG= -0.060894 logGD-logG0= -0.010240 tlogG= -0.049845 logG= -0.060085 Density= 0.431182 ETOT(band)= -0.458771 trlgG= -0.582794 logG= -0.060085 TDE= -0.337795 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.432447 ETOT(band)= -0.458955 trlgG= -0.583634 logG= -0.060894 TDE= -0.337886 logGD-logG0= -0.010155 tlogG= -0.049626 logG= -0.059781 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428584 ETOT(band)= -0.458987 trlgG= -0.581323 logG= -0.059781 TDE= -0.337253 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010411 tlogG= -0.049552 logG= -0.059963 logGD-logG0= -0.005230 tlogG= -0.023405 logG= -0.028635 Density= 0.430431 ETOT(band)= -0.458426 trlgG= -0.581297 logG= -0.059963 TDE= -0.337476 logGD-logG0= -0.010673 tlogG= -0.049648 logG= -0.060321 Density= 0.430228 ETOT(band)= -0.458973 trlgG= -0.582134 logG= -0.060321 TDE= -0.337418 Density= 0.215890 ETOT(band)= -0.227236 trlgG= -0.285592 logG= -0.028635 TDE= -0.167951 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010732 tlogG= -0.048924 logG= -0.059655 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.432101 ETOT(band)= -0.457300 trlgG= -0.578799 logG= -0.059655 TDE= -0.337064 logGD-logG0= -0.005116 tlogG= -0.022303 logG= -0.027418 Density= 0.217489 ETOT(band)= -0.225572 trlgG= -0.282903 logG= -0.027418 TDE= -0.167498 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010354 tlogG= -0.048404 logG= -0.058757 Density= 0.431404 ETOT(band)= -0.456576 trlgG= -0.576665 logG= -0.058757 TDE= -0.336877 logGD-logG0= -0.011054 tlogG= -0.049795 logG= -0.060849 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.433730 ETOT(band)= -0.458134 trlgG= -0.582757 logG= -0.060849 TDE= -0.337998 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010983 tlogG= -0.050115 logG= -0.061098 Density= 0.434005 ETOT(band)= -0.458401 trlgG= -0.583712 logG= -0.061098 TDE= -0.338258 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.049511 logG= -0.059717 Density= 0.427876 ETOT(band)= -0.459513 trlgG= -0.582505 logG= -0.059717 TDE= -0.337290 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010660 tlogG= -0.049555 logG= -0.060215 Density= 0.432306 ETOT(band)= -0.457901 trlgG= -0.580783 logG= -0.060215 TDE= -0.337494 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.023333 logG= -0.028405 Density= 0.324234 ETOT(band)= -0.341340 trlgG= -0.430438 logG= -0.028405 TDE= -0.168028 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011131 tlogG= -0.049253 logG= -0.060384 Density= 0.432975 ETOT(band)= -0.457807 trlgG= -0.581017 logG= -0.060384 TDE= -0.337510 logGD-logG0= -0.010419 tlogG= -0.046634 logG= -0.057053 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326071 ETOT(band)= -0.339904 trlgG= -0.427880 logG= -0.057053 TDE= -0.336121 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.023333 logG= -0.028364 Density= 0.215848 ETOT(band)= -0.227560 trlgG= -0.286746 logG= -0.028364 TDE= -0.168031 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010280 tlogG= -0.046635 logG= -0.056915 Density= 0.433698 ETOT(band)= -0.453159 trlgG= -0.569689 logG= -0.056915 TDE= -0.335972 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -318.504509497415 eV TrLogG= -404.338933134550 eV Ratio to renormalize= 0.995309681165 rho-rho_expected= 0.103673275090 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 55) Finished k-point number 112 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962378726686797 0.935826833831261 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005336 tlogG= -0.024886 logG= -0.030221 Density= 0.107535 ETOT(band)= -0.115174 trlgG= -0.145978 logG= -0.030221 TDE= -0.168970 logGD-logG0= -0.004880 tlogG= -0.025294 logG= -0.030174 Density= 0.106702 ETOT(band)= -0.115485 trlgG= -0.146648 logG= -0.030174 TDE= -0.169275 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005505 tlogG= -0.025043 logG= -0.030548 Density= 0.107877 ETOT(band)= -0.115214 trlgG= -0.146354 logG= -0.030548 TDE= -0.169189 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.024241 logG= -0.029380 Density= 0.109012 ETOT(band)= -0.114130 trlgG= -0.144546 logG= -0.029380 TDE= -0.169111 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.024712 logG= -0.029919 Density= 0.108969 ETOT(band)= -0.114445 trlgG= -0.145384 logG= -0.029919 TDE= -0.169388 logGD-logG0= -0.005199 tlogG= -0.025177 logG= -0.030377 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107223 ETOT(band)= -0.115388 trlgG= -0.146586 logG= -0.030377 TDE= -0.169269 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.025433 logG= -0.030532 Density= 0.107596 ETOT(band)= -0.115353 trlgG= -0.146815 logG= -0.030532 TDE= -0.169527 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.024230 logG= -0.029204 Density= 0.107779 ETOT(band)= -0.114568 trlgG= -0.144781 logG= -0.029204 TDE= -0.168911 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000202 tlogG= -0.000917 logG= -0.001119 Density= 0.004575 ETOT(band)= -0.004664 trlgG= -0.005839 logG= -0.001119 TDE= -0.006984 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002716 tlogG= -0.012708 logG= -0.015424 Density= 0.054112 ETOT(band)= -0.057637 trlgG= -0.073421 logG= -0.015424 TDE= -0.084775 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002439 tlogG= -0.012570 logG= -0.015009 Density= 0.053790 ETOT(band)= -0.057562 trlgG= -0.073123 logG= -0.015009 TDE= -0.084733 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001520 tlogG= -0.008462 logG= -0.009982 Density= 0.035322 ETOT(band)= -0.038565 trlgG= -0.048963 logG= -0.009982 TDE= -0.056460 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002622 tlogG= -0.012722 logG= -0.015344 Density= 0.054533 ETOT(band)= -0.057415 trlgG= -0.073291 logG= -0.015344 TDE= -0.084933 logGD-logG0= -0.005257 tlogG= -0.024921 logG= -0.030178 logGD-logG0= -0.001604 tlogG= -0.008226 logG= -0.009830 Density= 0.035571 ETOT(band)= -0.038391 trlgG= -0.048569 logG= -0.009830 TDE= -0.056341 Density= 0.108906 ETOT(band)= -0.114614 trlgG= -0.145789 logG= -0.030178 TDE= -0.169503 logGD-logG0= -0.002451 tlogG= -0.012137 logG= -0.014588 Density= 0.053991 ETOT(band)= -0.057237 trlgG= -0.072362 logG= -0.014588 TDE= -0.084491 logGD-logG0= -0.005142 tlogG= -0.023969 logG= -0.029111 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108944 ETOT(band)= -0.114002 trlgG= -0.144130 logG= -0.029111 TDE= -0.168929 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.025302 logG= -0.029965 Density= 0.106255 ETOT(band)= -0.115581 trlgG= -0.146712 logG= -0.029965 TDE= -0.169327 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.025426 logG= -0.030687 Density= 0.109017 ETOT(band)= -0.114850 trlgG= -0.146582 logG= -0.030687 TDE= -0.169842 logGD-logG0= -0.002531 tlogG= -0.012763 logG= -0.015294 Density= 0.053864 ETOT(band)= -0.057673 trlgG= -0.073451 logG= -0.015294 TDE= -0.084811 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.024484 logG= -0.029694 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108894 ETOT(band)= -0.114356 trlgG= -0.145042 logG= -0.029694 TDE= -0.169233 logGD-logG0= -0.005494 tlogG= -0.025435 logG= -0.030929 Density= 0.108368 ETOT(band)= -0.115267 trlgG= -0.146975 logG= -0.030929 TDE= -0.169672 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.025454 logG= -0.030668 logGD-logG0= -0.005454 tlogG= -0.025343 logG= -0.030797 Density= 0.108493 ETOT(band)= -0.115138 trlgG= -0.146764 logG= -0.030797 TDE= -0.169655 logGD-logG0= -0.005269 tlogG= -0.025245 logG= -0.030514 Density= 0.108963 ETOT(band)= -0.114773 trlgG= -0.146309 logG= -0.030514 TDE= -0.169715 Density= 0.108025 ETOT(band)= -0.115257 trlgG= -0.146758 logG= -0.030668 TDE= -0.169545 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.024448 logG= -0.029425 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107085 ETOT(band)= -0.114976 trlgG= -0.145307 logG= -0.029425 TDE= -0.168873 logGD-logG0= -0.002685 tlogG= -0.012725 logG= -0.015410 Density= 0.054369 ETOT(band)= -0.057523 trlgG= -0.073401 logG= -0.015410 TDE= -0.084896 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005400 tlogG= -0.025558 logG= -0.030958 Density= 0.108650 ETOT(band)= -0.115178 trlgG= -0.147032 logG= -0.030958 TDE= -0.169839 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.025350 logG= -0.030598 logGD-logG0= -0.005454 tlogG= -0.025320 logG= -0.030774 Density= 0.108132 ETOT(band)= -0.115260 trlgG= -0.146720 logG= -0.030774 TDE= -0.169455 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.109039 ETOT(band)= -0.114789 trlgG= -0.146439 logG= -0.030598 TDE= -0.169799 logGD-logG0= -0.005430 tlogG= -0.025604 logG= -0.031034 Density= 0.108564 ETOT(band)= -0.115260 trlgG= -0.147152 logG= -0.031034 TDE= -0.169841 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.024917 logG= -0.029940 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.024232 logG= -0.029301 Density= 0.107251 ETOT(band)= -0.114842 trlgG= -0.144978 logG= -0.029301 TDE= -0.168750 Density= 0.106930 ETOT(band)= -0.115305 trlgG= -0.146141 logG= -0.029940 TDE= -0.169115 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.023788 logG= -0.029031 Density= 0.108251 ETOT(band)= -0.114248 trlgG= -0.144056 logG= -0.029031 TDE= -0.168593 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.024744 logG= -0.029822 Density= 0.107203 ETOT(band)= -0.115117 trlgG= -0.145758 logG= -0.029822 TDE= -0.168985 logGD-logG0= -0.005386 tlogG= -0.025347 logG= -0.030733 logGD-logG0= -0.005097 tlogG= -0.024226 logG= -0.029323 logGD-logG0= -0.005334 tlogG= -0.024252 logG= -0.029586 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108684 ETOT(band)= -0.115013 trlgG= -0.146661 logG= -0.030733 TDE= -0.169710 Density= 0.108385 ETOT(band)= -0.114373 trlgG= -0.144592 logG= -0.029323 TDE= -0.168903 Density= 0.108278 ETOT(band)= -0.114548 trlgG= -0.144898 logG= -0.029586 TDE= -0.168893 logGD-logG0= -0.005054 tlogG= -0.025060 logG= -0.030114 Density= 0.107969 ETOT(band)= -0.114987 trlgG= -0.146057 logG= -0.030114 TDE= -0.169372 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005431 tlogG= -0.024660 logG= -0.030091 Density= 0.108398 ETOT(band)= -0.114769 trlgG= -0.145660 logG= -0.030091 TDE= -0.169210 logGD-logG0= -0.004931 tlogG= -0.025061 logG= -0.029992 logGD-logG0= -0.005417 tlogG= -0.025064 logG= -0.030481 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108551 ETOT(band)= -0.114918 trlgG= -0.146259 logG= -0.030481 TDE= -0.169495 Density= 0.107407 ETOT(band)= -0.115165 trlgG= -0.146209 logG= -0.029992 TDE= -0.169367 logGD-logG0= -0.005377 tlogG= -0.025530 logG= -0.030907 Density= 0.108716 ETOT(band)= -0.115116 trlgG= -0.146947 logG= -0.030907 TDE= -0.169838 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009941 tlogG= -0.048518 logG= -0.058458 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216105 ETOT(band)= -0.228936 trlgG= -0.289419 logG= -0.058458 TDE= -0.337901 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.050126 logG= -0.059917 logGD-logG0= -0.005244 tlogG= -0.025091 logG= -0.030335 Density= 0.213534 ETOT(band)= -0.230739 trlgG= -0.292611 logG= -0.059917 TDE= -0.338362 logGD-logG0= -0.010224 tlogG= -0.050968 logG= -0.061193 Density= 0.108988 ETOT(band)= -0.114662 trlgG= -0.146027 logG= -0.030335 TDE= -0.169625 Density= 0.215566 ETOT(band)= -0.230639 trlgG= -0.293678 logG= -0.061193 TDE= -0.339158 logGD-logG0= -0.010085 tlogG= -0.049909 logG= -0.059995 Density= 0.214647 ETOT(band)= -0.230359 trlgG= -0.292251 logG= -0.059995 TDE= -0.338474 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010204 tlogG= -0.048345 logG= -0.058548 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215332 ETOT(band)= -0.229293 trlgG= -0.289623 logG= -0.058548 TDE= -0.337632 logGD-logG0= -0.010946 tlogG= -0.050462 logG= -0.061408 Density= 0.216117 ETOT(band)= -0.230482 trlgG= -0.293201 logG= -0.061408 TDE= -0.338738 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010911 tlogG= -0.050787 logG= -0.061698 logGD-logG0= -0.010359 tlogG= -0.050633 logG= -0.060991 Density= 0.215050 ETOT(band)= -0.230688 trlgG= -0.293389 logG= -0.060991 TDE= -0.338815 logGD-logG0= -0.010482 tlogG= -0.049653 logG= -0.060135 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216481 ETOT(band)= -0.230532 trlgG= -0.293687 logG= -0.061698 TDE= -0.339114 Density= 0.214769 ETOT(band)= -0.230333 trlgG= -0.291986 logG= -0.060135 TDE= -0.338129 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010311 tlogG= -0.048403 logG= -0.058715 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216378 ETOT(band)= -0.228938 trlgG= -0.289343 logG= -0.058715 TDE= -0.337703 logGD-logG0= -0.009872 tlogG= -0.050193 logG= -0.060065 logGD-logG0= -0.010205 tlogG= -0.050424 logG= -0.060629 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002589 tlogG= -0.011535 logG= -0.014124 Density= 0.054392 ETOT(band)= -0.056745 trlgG= -0.071364 logG= -0.014124 TDE= -0.084155 Density= 0.214135 ETOT(band)= -0.230818 trlgG= -0.293046 logG= -0.060629 TDE= -0.338381 Density= 0.215296 ETOT(band)= -0.230179 trlgG= -0.292354 logG= -0.060065 TDE= -0.338828 logGD-logG0= -0.010752 tlogG= -0.050699 logG= -0.061451 Density= 0.216472 ETOT(band)= -0.230395 trlgG= -0.293288 logG= -0.061451 TDE= -0.338959 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010804 tlogG= -0.050510 logG= -0.061313 Density= 0.215985 ETOT(band)= -0.230483 trlgG= -0.293125 logG= -0.061313 TDE= -0.338692 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001668 tlogG= -0.007502 logG= -0.009170 Density= 0.036441 ETOT(band)= -0.037565 trlgG= -0.047131 logG= -0.009170 TDE= -0.055994 logGD-logG0= -0.001808 tlogG= -0.007728 logG= -0.009535 Density= 0.036029 ETOT(band)= -0.038013 trlgG= -0.047796 logG= -0.009535 TDE= -0.056089 logGD-logG0= -0.010985 tlogG= -0.050728 logG= -0.061713 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216535 ETOT(band)= -0.230514 trlgG= -0.293703 logG= -0.061713 TDE= -0.339142 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010615 tlogG= -0.049157 logG= -0.059772 Density= 0.216566 ETOT(band)= -0.229427 trlgG= -0.290712 logG= -0.059772 TDE= -0.338108 logGD-logG0= -0.010489 tlogG= -0.050755 logG= -0.061244 Density= 0.215788 ETOT(band)= -0.230542 trlgG= -0.293396 logG= -0.061244 TDE= -0.338935 logGD-logG0= -0.010605 tlogG= -0.050382 logG= -0.060987 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215071 ETOT(band)= -0.230647 trlgG= -0.293122 logG= -0.060987 TDE= -0.338563 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010944 tlogG= -0.051016 logG= -0.061959 logGD-logG0= -0.010905 tlogG= -0.050255 logG= -0.061160 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216904 ETOT(band)= -0.230533 trlgG= -0.294117 logG= -0.061959 TDE= -0.339492 logGD-logG0= -0.010752 tlogG= -0.050889 logG= -0.061642 Density= 0.216940 ETOT(band)= -0.230034 trlgG= -0.292836 logG= -0.061160 TDE= -0.339028 Density= 0.217439 ETOT(band)= -0.230109 trlgG= -0.293607 logG= -0.061642 TDE= -0.339565 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010801 tlogG= -0.050839 logG= -0.061640 Density= 0.217295 ETOT(band)= -0.230174 trlgG= -0.293605 logG= -0.061640 TDE= -0.339493 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010527 tlogG= -0.049887 logG= -0.060414 logGD-logG0= -0.010816 tlogG= -0.050488 logG= -0.061303 logGD-logG0= -0.002471 tlogG= -0.011193 logG= -0.013664 Density= 0.054753 ETOT(band)= -0.056235 trlgG= -0.070523 logG= -0.013664 TDE= -0.083953 Density= 0.217220 ETOT(band)= -0.229991 trlgG= -0.293060 logG= -0.061303 TDE= -0.339248 Density= 0.216506 ETOT(band)= -0.229812 trlgG= -0.291766 logG= -0.060414 TDE= -0.338490 logGD-logG0= -0.010218 tlogG= -0.049965 logG= -0.060183 logGD-logG0= -0.010846 tlogG= -0.050018 logG= -0.060864 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215622 ETOT(band)= -0.230058 trlgG= -0.292053 logG= -0.060183 TDE= -0.338570 Density= 0.215486 ETOT(band)= -0.230413 trlgG= -0.292555 logG= -0.060864 TDE= -0.338324 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010882 tlogG= -0.049785 logG= -0.060667 Density= 0.216888 ETOT(band)= -0.229769 trlgG= -0.292066 logG= -0.060667 TDE= -0.338726 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004692 tlogG= -0.025224 logG= -0.029916 Density= 0.106320 ETOT(band)= -0.115535 trlgG= -0.146595 logG= -0.029916 TDE= -0.169292 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.023087 logG= -0.028116 logGD-logG0= -0.005109 tlogG= -0.023393 logG= -0.028502 Density= 0.109250 ETOT(band)= -0.113178 trlgG= -0.142452 logG= -0.028116 TDE= -0.168398 Density= 0.109042 ETOT(band)= -0.113535 trlgG= -0.143120 logG= -0.028502 TDE= -0.168577 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004957 tlogG= -0.022521 logG= -0.027478 Density= 0.109458 ETOT(band)= -0.112611 trlgG= -0.141319 logG= -0.027478 TDE= -0.168006 logGD-logG0= -0.005105 tlogG= -0.023688 logG= -0.028793 Density= 0.109093 ETOT(band)= -0.113695 trlgG= -0.143588 logG= -0.028793 TDE= -0.168780 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005309 tlogG= -0.023206 logG= -0.028515 Density= 0.108405 ETOT(band)= -0.113836 trlgG= -0.143208 logG= -0.028515 TDE= -0.168338 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005289 tlogG= -0.025318 logG= -0.030606 Density= 0.215583 ETOT(band)= -0.230540 trlgG= -0.293055 logG= -0.030606 TDE= -0.169393 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.023084 logG= -0.028339 logGD-logG0= -0.004910 tlogG= -0.025221 logG= -0.030132 Density= 0.213428 ETOT(band)= -0.230950 trlgG= -0.293211 logG= -0.030132 TDE= -0.169245 logGD-logG0= -0.005246 tlogG= -0.025126 logG= -0.030372 Density= 0.214854 ETOT(band)= -0.230512 trlgG= -0.292365 logG= -0.030372 TDE= -0.169122 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108566 ETOT(band)= -0.113648 trlgG= -0.142903 logG= -0.028339 TDE= -0.168287 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005311 tlogG= -0.024905 logG= -0.030216 Density= 0.217740 ETOT(band)= -0.229132 trlgG= -0.291231 logG= -0.030216 TDE= -0.169457 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010366 tlogG= -0.046313 logG= -0.056679 Density= 0.217624 ETOT(band)= -0.227076 trlgG= -0.285759 logG= -0.056679 TDE= -0.336771 logGD-logG0= -0.005277 tlogG= -0.024469 logG= -0.029747 Density= 0.217731 ETOT(band)= -0.228585 trlgG= -0.289676 logG= -0.029747 TDE= -0.169183 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005045 tlogG= -0.025208 logG= -0.030253 Density= 0.214477 ETOT(band)= -0.230727 trlgG= -0.293133 logG= -0.030253 TDE= -0.169369 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.025375 logG= -0.030332 Density= 0.215150 ETOT(band)= -0.230641 trlgG= -0.293482 logG= -0.030332 TDE= -0.169558 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023707 logG= -0.028744 Density= 0.216085 ETOT(band)= -0.228609 trlgG= -0.288537 logG= -0.028744 TDE= -0.168607 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004636 tlogG= -0.025383 logG= -0.030020 Density= 0.212424 ETOT(band)= -0.231220 trlgG= -0.293558 logG= -0.030020 TDE= -0.169364 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001628 tlogG= -0.007387 logG= -0.009015 Density= 0.041134 ETOT(band)= -0.042051 trlgG= -0.052676 logG= -0.009015 TDE= -0.055913 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004774 tlogG= -0.024987 logG= -0.029761 Density= 0.213658 ETOT(band)= -0.230337 trlgG= -0.291505 logG= -0.029761 TDE= -0.169175 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.006123 logG= -0.007408 Density= 0.081059 ETOT(band)= -0.086123 trlgG= -0.109357 logG= -0.007408 TDE= -0.042320 logGD-logG0= -0.004935 tlogG= -0.025137 logG= -0.030072 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214069 ETOT(band)= -0.230490 trlgG= -0.292144 logG= -0.030072 TDE= -0.169197 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.006310 logG= -0.007616 Density= 0.081379 ETOT(band)= -0.086312 trlgG= -0.109979 logG= -0.007616 TDE= -0.042434 logGD-logG0= -0.001221 tlogG= -0.005556 logG= -0.006777 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062741 ETOT(band)= -0.066619 trlgG= -0.084119 logG= -0.006777 TDE= -0.041947 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001264 tlogG= -0.005998 logG= -0.007262 Density= 0.081284 ETOT(band)= -0.085704 trlgG= -0.108365 logG= -0.007262 TDE= -0.042248 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.006353 logG= -0.007660 Density= 0.081645 ETOT(band)= -0.086218 trlgG= -0.110026 logG= -0.007660 TDE= -0.042463 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005337 tlogG= -0.025474 logG= -0.030811 Density= 0.217191 ETOT(band)= -0.230276 trlgG= -0.293762 logG= -0.030811 TDE= -0.169827 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.025278 logG= -0.030643 Density= 0.216748 ETOT(band)= -0.230206 trlgG= -0.293276 logG= -0.030643 TDE= -0.169677 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001300 tlogG= -0.006228 logG= -0.007529 Density= 0.081124 ETOT(band)= -0.086303 trlgG= -0.109872 logG= -0.007529 TDE= -0.042382 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.025474 logG= -0.030777 Density= 0.217929 ETOT(band)= -0.229800 trlgG= -0.293315 logG= -0.030777 TDE= -0.169850 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001547 tlogG= -0.008382 logG= -0.009929 Density= 0.070980 ETOT(band)= -0.076898 trlgG= -0.097399 logG= -0.009929 TDE= -0.056424 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.025208 logG= -0.030500 Density= 0.216952 ETOT(band)= -0.230190 trlgG= -0.293276 logG= -0.030500 TDE= -0.169388 logGD-logG0= -0.005422 tlogG= -0.025593 logG= -0.031015 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217239 ETOT(band)= -0.230417 trlgG= -0.294154 logG= -0.031015 TDE= -0.169843 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005391 tlogG= -0.024931 logG= -0.030323 logGD-logG0= -0.004989 tlogG= -0.025374 logG= -0.030363 Density= 0.216547 ETOT(band)= -0.229819 trlgG= -0.292077 logG= -0.030323 TDE= -0.169427 Density= 0.323260 ETOT(band)= -0.345884 trlgG= -0.440306 logG= -0.030363 TDE= -0.169558 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.048444 logG= -0.059010 logGD-logG0= -0.005246 tlogG= -0.024219 logG= -0.029465 Density= 0.215934 ETOT(band)= -0.228982 trlgG= -0.289016 logG= -0.029465 TDE= -0.168783 Density= 0.326207 ETOT(band)= -0.342727 trlgG= -0.433656 logG= -0.059010 TDE= -0.338029 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004909 tlogG= -0.024744 logG= -0.029652 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323126 ETOT(band)= -0.344991 trlgG= -0.437890 logG= -0.029652 TDE= -0.169243 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.025518 logG= -0.030779 Density= 0.324503 ETOT(band)= -0.345854 trlgG= -0.440585 logG= -0.030779 TDE= -0.169573 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.025373 logG= -0.030840 Density= 0.217159 ETOT(band)= -0.230177 trlgG= -0.293495 logG= -0.030840 TDE= -0.169672 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010913 tlogG= -0.050967 logG= -0.061881 Density= 0.325480 ETOT(band)= -0.345590 trlgG= -0.440756 logG= -0.061881 TDE= -0.339488 logGD-logG0= -0.010664 tlogG= -0.050205 logG= -0.060869 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326449 ETOT(band)= -0.344233 trlgG= -0.438167 logG= -0.060869 TDE= -0.339161 logGD-logG0= -0.001731 tlogG= -0.007625 logG= -0.009356 Density= 0.072699 ETOT(band)= -0.075354 trlgG= -0.094609 logG= -0.009356 TDE= -0.056063 logGD-logG0= -0.005235 tlogG= -0.025514 logG= -0.030748 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216061 ETOT(band)= -0.230602 trlgG= -0.293632 logG= -0.030748 TDE= -0.169573 logGD-logG0= -0.005297 tlogG= -0.025432 logG= -0.030729 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217965 ETOT(band)= -0.229702 trlgG= -0.293091 logG= -0.030729 TDE= -0.169826 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005465 tlogG= -0.025442 logG= -0.030907 Density= 0.325266 ETOT(band)= -0.345790 trlgG= -0.441054 logG= -0.030907 TDE= -0.169653 logGD-logG0= -0.005252 tlogG= -0.024616 logG= -0.029868 Density= 0.323516 ETOT(band)= -0.345293 trlgG= -0.438451 logG= -0.029868 TDE= -0.169125 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.050740 logG= -0.061371 logGD-logG0= -0.010648 tlogG= -0.049404 logG= -0.060052 Density= 0.326247 ETOT(band)= -0.343608 trlgG= -0.436161 logG= -0.060052 TDE= -0.338624 logGD-logG0= -0.005001 tlogG= -0.024622 logG= -0.029623 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326700 ETOT(band)= -0.344596 trlgG= -0.439476 logG= -0.061371 TDE= -0.339543 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214227 ETOT(band)= -0.230308 trlgG= -0.291743 logG= -0.029623 TDE= -0.169075 logGD-logG0= -0.010126 tlogG= -0.049351 logG= -0.059477 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324537 ETOT(band)= -0.343853 trlgG= -0.435424 logG= -0.059477 TDE= -0.338318 logGD-logG0= -0.005453 tlogG= -0.025431 logG= -0.030884 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325953 ETOT(band)= -0.345287 trlgG= -0.440513 logG= -0.030884 TDE= -0.169720 logGD-logG0= -0.005566 tlogG= -0.024802 logG= -0.030368 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005510 tlogG= -0.025165 logG= -0.030674 Density= 0.216508 ETOT(band)= -0.229794 trlgG= -0.291737 logG= -0.030368 TDE= -0.169207 Density= 0.216888 ETOT(band)= -0.230029 trlgG= -0.292819 logG= -0.030674 TDE= -0.169496 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.024549 logG= -0.029947 Density= 0.216138 ETOT(band)= -0.229455 trlgG= -0.290388 logG= -0.029947 TDE= -0.168918 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.050865 logG= -0.061437 Density= 0.431932 ETOT(band)= -0.461125 trlgG= -0.586829 logG= -0.061437 TDE= -0.338989 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005032 tlogG= -0.022828 logG= -0.027860 Density= 0.163771 ETOT(band)= -0.170417 trlgG= -0.215307 logG= -0.027860 TDE= -0.168213 logGD-logG0= -0.010136 tlogG= -0.049202 logG= -0.059339 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010067 tlogG= -0.050578 logG= -0.060645 Density= 0.430134 ETOT(band)= -0.461223 trlgG= -0.586523 logG= -0.060645 TDE= -0.338924 Density= 0.429627 ETOT(band)= -0.459446 trlgG= -0.580808 logG= -0.059339 TDE= -0.337890 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.024747 logG= -0.029625 Density= 0.215071 ETOT(band)= -0.230037 trlgG= -0.291802 logG= -0.029625 TDE= -0.169246 logGD-logG0= -0.009621 tlogG= -0.050595 logG= -0.060216 Density= 0.426667 ETOT(band)= -0.461763 trlgG= -0.585945 logG= -0.060216 TDE= -0.338587 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010997 tlogG= -0.050539 logG= -0.061536 Density= 0.433681 ETOT(band)= -0.460357 trlgG= -0.586258 logG= -0.061536 TDE= -0.339141 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.049360 logG= -0.059304 Density= 0.429938 ETOT(band)= -0.460111 trlgG= -0.583332 logG= -0.059304 TDE= -0.338313 logGD-logG0= -0.010917 tlogG= -0.050787 logG= -0.061703 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.432960 ETOT(band)= -0.460923 trlgG= -0.586972 logG= -0.061703 TDE= -0.339110 logGD-logG0= -0.010734 tlogG= -0.050678 logG= -0.061412 Density= 0.431833 ETOT(band)= -0.461076 trlgG= -0.586527 logG= -0.061412 TDE= -0.338802 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.050261 logG= -0.060522 Density= 0.429078 ETOT(band)= -0.461028 trlgG= -0.584748 logG= -0.060522 TDE= -0.338291 logGD-logG0= -0.001238 tlogG= -0.005689 logG= -0.006927 Density= 0.082122 ETOT(band)= -0.084429 trlgG= -0.105952 logG= -0.006927 TDE= -0.042046 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010739 tlogG= -0.049668 logG= -0.060406 logGD-logG0= -0.010358 tlogG= -0.049149 logG= -0.059508 logGD-logG0= -0.010708 tlogG= -0.050936 logG= -0.061644 Density= 0.432516 ETOT(band)= -0.459424 trlgG= -0.582468 logG= -0.060406 TDE= -0.338213 Density= 0.431858 ETOT(band)= -0.458675 trlgG= -0.580247 logG= -0.059508 TDE= -0.338026 Density= 0.432834 ETOT(band)= -0.461092 trlgG= -0.587348 logG= -0.061644 TDE= -0.339036 logGD-logG0= -0.010247 tlogG= -0.050587 logG= -0.060834 Density= 0.431602 ETOT(band)= -0.460878 trlgG= -0.586376 logG= -0.060834 TDE= -0.338941 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.050164 logG= -0.060459 Density= 0.428383 ETOT(band)= -0.461539 trlgG= -0.585918 logG= -0.060459 TDE= -0.338434 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010888 tlogG= -0.050964 logG= -0.061852 Density= 0.434361 ETOT(band)= -0.460572 trlgG= -0.587553 logG= -0.061852 TDE= -0.339511 logGD-logG0= -0.010958 tlogG= -0.050645 logG= -0.061603 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010415 tlogG= -0.050295 logG= -0.060710 Density= 0.430878 ETOT(band)= -0.460512 trlgG= -0.584865 logG= -0.060710 TDE= -0.338623 logGD-logG0= -0.001694 tlogG= -0.008005 logG= -0.009699 Density= 0.071818 ETOT(band)= -0.076233 trlgG= -0.095988 logG= -0.009699 TDE= -0.056204 Density= 0.434093 ETOT(band)= -0.460298 trlgG= -0.586595 logG= -0.061603 TDE= -0.339252 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010676 tlogG= -0.050390 logG= -0.061066 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430670 ETOT(band)= -0.461058 trlgG= -0.585700 logG= -0.061066 TDE= -0.338564 logGD-logG0= -0.005078 tlogG= -0.023708 logG= -0.028786 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010668 tlogG= -0.050297 logG= -0.060966 Density= 0.324573 ETOT(band)= -0.342925 trlgG= -0.433134 logG= -0.028786 TDE= -0.168604 Density= 0.432706 ETOT(band)= -0.460033 trlgG= -0.584387 logG= -0.060966 TDE= -0.338642 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.025243 logG= -0.030554 Density= 0.217845 ETOT(band)= -0.229502 trlgG= -0.292402 logG= -0.030554 TDE= -0.169688 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005180 tlogG= -0.023673 logG= -0.028854 Density= 0.215156 ETOT(band)= -0.229118 trlgG= -0.288949 logG= -0.028854 TDE= -0.168514 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001255 tlogG= -0.005848 logG= -0.007103 Density= 0.081717 ETOT(band)= -0.085085 trlgG= -0.107099 logG= -0.007103 TDE= -0.042154 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011074 tlogG= -0.050062 logG= -0.061136 Density= 0.433358 ETOT(band)= -0.459954 trlgG= -0.584847 logG= -0.061136 TDE= -0.338765 logGD-logG0= -0.010425 tlogG= -0.047392 logG= -0.057817 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326367 ETOT(band)= -0.341534 trlgG= -0.430778 logG= -0.057817 TDE= -0.337383 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023756 logG= -0.029012 Density= 0.216131 ETOT(band)= -0.228283 trlgG= -0.287439 logG= -0.029012 TDE= -0.168527 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005223 tlogG= -0.023943 logG= -0.029166 Density= 0.217819 ETOT(band)= -0.227818 trlgG= -0.287816 logG= -0.029166 TDE= -0.168864 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022734 logG= -0.027805 Density= 0.217693 ETOT(band)= -0.226660 trlgG= -0.284837 logG= -0.027805 TDE= -0.168131 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004833 tlogG= -0.024833 logG= -0.029666 Density= 0.213017 ETOT(band)= -0.230800 trlgG= -0.292555 logG= -0.029666 TDE= -0.169093 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023396 logG= -0.028588 Density= 0.218053 ETOT(band)= -0.226877 trlgG= -0.285739 logG= -0.028588 TDE= -0.168540 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005109 tlogG= -0.022877 logG= -0.027985 Density= 0.218472 ETOT(band)= -0.225806 trlgG= -0.283578 logG= -0.027985 TDE= -0.168220 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010291 tlogG= -0.047384 logG= -0.057675 Density= 0.434129 ETOT(band)= -0.455303 trlgG= -0.573421 logG= -0.057675 TDE= -0.337124 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -319.978148891776 eV TrLogG= -407.038325289102 eV Ratio to renormalize= 0.994332044857 rho-rho_expected= 0.125405807638 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 66) Finished k-point number 134 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962342044915607 0.935752427610319 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001521 tlogG= -0.008469 logG= -0.009990 Density= 0.035326 ETOT(band)= -0.038574 trlgG= -0.048979 logG= -0.009990 TDE= -0.056469 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004667 tlogG= -0.025323 logG= -0.029990 Density= 0.106265 ETOT(band)= -0.115607 trlgG= -0.146760 logG= -0.029990 TDE= -0.169355 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024469 logG= -0.029451 Density= 0.107093 ETOT(band)= -0.115005 trlgG= -0.145357 logG= -0.029451 TDE= -0.168901 logGD-logG0= -0.005245 tlogG= -0.023812 logG= -0.029057 Density= 0.108256 ETOT(band)= -0.114279 trlgG= -0.144115 logG= -0.029057 TDE= -0.168628 logGD-logG0= -0.005073 tlogG= -0.024254 logG= -0.029327 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107259 ETOT(band)= -0.114871 trlgG= -0.145030 logG= -0.029327 TDE= -0.168780 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002470 tlogG= -0.011208 logG= -0.013678 Density= 0.054754 ETOT(band)= -0.056252 trlgG= -0.070554 logG= -0.013678 TDE= -0.083971 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001667 tlogG= -0.007512 logG= -0.009179 Density= 0.036442 ETOT(band)= -0.037577 trlgG= -0.047152 logG= -0.009179 TDE= -0.056006 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005255 tlogG= -0.023111 logG= -0.028366 Density= 0.108571 ETOT(band)= -0.113680 trlgG= -0.142963 logG= -0.028366 TDE= -0.168323 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000202 tlogG= -0.000918 logG= -0.001120 Density= 0.004575 ETOT(band)= -0.004666 trlgG= -0.005841 logG= -0.001120 TDE= -0.006986 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002717 tlogG= -0.012720 logG= -0.015437 Density= 0.054114 ETOT(band)= -0.057653 trlgG= -0.073452 logG= -0.015437 TDE= -0.084793 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002532 tlogG= -0.012775 logG= -0.015307 Density= 0.053866 ETOT(band)= -0.057689 trlgG= -0.073479 logG= -0.015307 TDE= -0.084827 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002452 tlogG= -0.012149 logG= -0.014602 Density= 0.053994 ETOT(band)= -0.057252 trlgG= -0.072390 logG= -0.014602 TDE= -0.084507 logGD-logG0= -0.001605 tlogG= -0.008233 logG= -0.009838 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035574 ETOT(band)= -0.038400 trlgG= -0.048585 logG= -0.009838 TDE= -0.056351 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002439 tlogG= -0.012582 logG= -0.015022 Density= 0.053793 ETOT(band)= -0.057577 trlgG= -0.073151 logG= -0.015022 TDE= -0.084749 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002621 tlogG= -0.012736 logG= -0.015358 Density= 0.054534 ETOT(band)= -0.057432 trlgG= -0.073322 logG= -0.015358 TDE= -0.084950 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.025455 logG= -0.030715 Density= 0.109019 ETOT(band)= -0.114884 trlgG= -0.146645 logG= -0.030715 TDE= -0.169878 logGD-logG0= -0.005140 tlogG= -0.023998 logG= -0.029138 logGD-logG0= -0.005256 tlogG= -0.024950 logG= -0.030206 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108948 ETOT(band)= -0.114035 trlgG= -0.144191 logG= -0.029138 TDE= -0.168966 logGD-logG0= -0.005268 tlogG= -0.025274 logG= -0.030542 Density= 0.108965 ETOT(band)= -0.114807 trlgG= -0.146372 logG= -0.030542 TDE= -0.169751 Density= 0.108908 ETOT(band)= -0.114648 trlgG= -0.145851 logG= -0.030206 TDE= -0.169538 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005494 tlogG= -0.025462 logG= -0.030956 Density= 0.108371 ETOT(band)= -0.115300 trlgG= -0.147035 logG= -0.030956 TDE= -0.169707 logGD-logG0= -0.002685 tlogG= -0.012739 logG= -0.015423 logGD-logG0= -0.005209 tlogG= -0.024513 logG= -0.029722 Density= 0.054370 ETOT(band)= -0.057539 trlgG= -0.073432 logG= -0.015423 TDE= -0.084914 Density= 0.108897 ETOT(band)= -0.114389 trlgG= -0.145103 logG= -0.029722 TDE= -0.169269 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.025246 logG= -0.029942 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024908 logG= -0.030248 Density= 0.107540 ETOT(band)= -0.115205 trlgG= -0.146031 logG= -0.030248 TDE= -0.168999 Density= 0.106330 ETOT(band)= -0.115562 trlgG= -0.146644 logG= -0.029942 TDE= -0.169320 logGD-logG0= -0.005399 tlogG= -0.025587 logG= -0.030986 Density= 0.108653 ETOT(band)= -0.115211 trlgG= -0.147093 logG= -0.030986 TDE= -0.169874 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.025379 logG= -0.030626 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.109040 ETOT(band)= -0.114823 trlgG= -0.146501 logG= -0.030626 TDE= -0.169835 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.025479 logG= -0.030695 Density= 0.108029 ETOT(band)= -0.115289 trlgG= -0.146815 logG= -0.030695 TDE= -0.169578 logGD-logG0= -0.005453 tlogG= -0.025371 logG= -0.030824 Density= 0.108496 ETOT(band)= -0.115171 trlgG= -0.146825 logG= -0.030824 TDE= -0.169690 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005506 tlogG= -0.025068 logG= -0.030574 Density= 0.107882 ETOT(band)= -0.115246 trlgG= -0.146412 logG= -0.030574 TDE= -0.169223 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.024251 logG= -0.029349 Density= 0.108389 ETOT(band)= -0.114405 trlgG= -0.144649 logG= -0.029349 TDE= -0.168936 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005056 tlogG= -0.025085 logG= -0.030140 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005429 tlogG= -0.025632 logG= -0.031061 Density= 0.108567 ETOT(band)= -0.115293 trlgG= -0.147213 logG= -0.031061 TDE= -0.169876 Density= 0.107974 ETOT(band)= -0.115018 trlgG= -0.146114 logG= -0.030140 TDE= -0.169404 logGD-logG0= -0.005455 tlogG= -0.025346 logG= -0.030801 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108136 ETOT(band)= -0.115292 trlgG= -0.146780 logG= -0.030801 TDE= -0.169490 logGD-logG0= -0.005028 tlogG= -0.024938 logG= -0.029966 Density= 0.106938 ETOT(band)= -0.115333 trlgG= -0.146194 logG= -0.029966 TDE= -0.169146 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.024270 logG= -0.029407 Density= 0.109014 ETOT(band)= -0.114163 trlgG= -0.144608 logG= -0.029407 TDE= -0.169147 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.024741 logG= -0.029946 Density= 0.108972 ETOT(band)= -0.114479 trlgG= -0.145446 logG= -0.029946 TDE= -0.169424 logGD-logG0= -0.005335 tlogG= -0.024277 logG= -0.029612 Density= 0.108282 ETOT(band)= -0.114580 trlgG= -0.144958 logG= -0.029612 TDE= -0.168929 logGD-logG0= -0.004884 tlogG= -0.025316 logG= -0.030200 logGD-logG0= -0.005243 tlogG= -0.025120 logG= -0.030363 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108990 ETOT(band)= -0.114696 trlgG= -0.146089 logG= -0.030363 TDE= -0.169661 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.024766 logG= -0.029848 Density= 0.106710 ETOT(band)= -0.115513 trlgG= -0.146698 logG= -0.030200 TDE= -0.169304 Density= 0.107210 ETOT(band)= -0.115146 trlgG= -0.145809 logG= -0.029848 TDE= -0.169014 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.025375 logG= -0.030760 logGD-logG0= -0.005201 tlogG= -0.025202 logG= -0.030403 Density= 0.108686 ETOT(band)= -0.115046 trlgG= -0.146723 logG= -0.030760 TDE= -0.169746 Density= 0.107229 ETOT(band)= -0.115417 trlgG= -0.146641 logG= -0.030403 TDE= -0.169300 logGD-logG0= -0.005101 tlogG= -0.025458 logG= -0.030558 logGD-logG0= -0.005376 tlogG= -0.025558 logG= -0.030935 Density= 0.107601 ETOT(band)= -0.115383 trlgG= -0.146871 logG= -0.030558 TDE= -0.169559 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108719 ETOT(band)= -0.115149 trlgG= -0.147009 logG= -0.030935 TDE= -0.169874 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.025085 logG= -0.030018 Density= 0.107413 ETOT(band)= -0.115195 trlgG= -0.146263 logG= -0.030018 TDE= -0.169399 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005416 tlogG= -0.025092 logG= -0.030508 logGD-logG0= -0.004976 tlogG= -0.024255 logG= -0.029231 Density= 0.108554 ETOT(band)= -0.114951 trlgG= -0.146320 logG= -0.030508 TDE= -0.169530 logGD-logG0= -0.005430 tlogG= -0.024688 logG= -0.030118 Density= 0.107785 ETOT(band)= -0.114599 trlgG= -0.144836 logG= -0.029231 TDE= -0.168943 Density= 0.108401 ETOT(band)= -0.114801 trlgG= -0.145721 logG= -0.030118 TDE= -0.169246 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010088 tlogG= -0.049959 logG= -0.060047 logGD-logG0= -0.010228 tlogG= -0.051018 logG= -0.061246 Density= 0.214660 ETOT(band)= -0.230418 trlgG= -0.292361 logG= -0.060047 TDE= -0.338538 logGD-logG0= -0.009799 tlogG= -0.050169 logG= -0.059968 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215575 ETOT(band)= -0.230701 trlgG= -0.293790 logG= -0.061246 TDE= -0.339222 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213551 ETOT(band)= -0.230795 trlgG= -0.292711 logG= -0.059968 TDE= -0.338418 logGD-logG0= -0.009944 tlogG= -0.048567 logG= -0.058512 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216117 ETOT(band)= -0.228998 trlgG= -0.289531 logG= -0.058512 TDE= -0.337965 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010949 tlogG= -0.050512 logG= -0.061461 Density= 0.216124 ETOT(band)= -0.230546 trlgG= -0.293321 logG= -0.061461 TDE= -0.338808 logGD-logG0= -0.010489 tlogG= -0.049699 logG= -0.060187 logGD-logG0= -0.010362 tlogG= -0.050682 logG= -0.061044 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214781 ETOT(band)= -0.230393 trlgG= -0.292095 logG= -0.060187 TDE= -0.338193 Density= 0.215060 ETOT(band)= -0.230749 trlgG= -0.293500 logG= -0.061044 TDE= -0.338879 logGD-logG0= -0.009875 tlogG= -0.050243 logG= -0.060118 logGD-logG0= -0.004640 tlogG= -0.025405 logG= -0.030045 Density= 0.212444 ETOT(band)= -0.231273 trlgG= -0.293655 logG= -0.030045 TDE= -0.169392 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215308 ETOT(band)= -0.230240 trlgG= -0.292465 logG= -0.060118 TDE= -0.338892 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010213 tlogG= -0.050468 logG= -0.060681 Density= 0.214148 ETOT(band)= -0.230876 trlgG= -0.293148 logG= -0.060681 TDE= -0.338438 logGD-logG0= -0.010755 tlogG= -0.050750 logG= -0.061505 logGD-logG0= -0.010315 tlogG= -0.048453 logG= -0.058768 Density= 0.216388 ETOT(band)= -0.229001 trlgG= -0.289456 logG= -0.058768 TDE= -0.337767 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216479 ETOT(band)= -0.230459 trlgG= -0.293409 logG= -0.061505 TDE= -0.339029 logGD-logG0= -0.001808 tlogG= -0.007736 logG= -0.009544 Density= 0.036031 ETOT(band)= -0.038024 trlgG= -0.047815 logG= -0.009544 TDE= -0.056101 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010807 tlogG= -0.050560 logG= -0.061367 Density= 0.215993 ETOT(band)= -0.230546 trlgG= -0.293240 logG= -0.061367 TDE= -0.338757 logGD-logG0= -0.010915 tlogG= -0.050838 logG= -0.061752 Density= 0.216488 ETOT(band)= -0.230597 trlgG= -0.293808 logG= -0.061752 TDE= -0.339185 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010988 tlogG= -0.050780 logG= -0.061767 Density= 0.216541 ETOT(band)= -0.230579 trlgG= -0.293825 logG= -0.061767 TDE= -0.339213 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.048394 logG= -0.058601 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215346 ETOT(band)= -0.229353 trlgG= -0.289733 logG= -0.058601 TDE= -0.337696 logGD-logG0= -0.010492 tlogG= -0.050806 logG= -0.061297 logGD-logG0= -0.010799 tlogG= -0.050896 logG= -0.061695 Density= 0.217299 ETOT(band)= -0.230240 trlgG= -0.293728 logG= -0.061695 TDE= -0.339564 Density= 0.215797 ETOT(band)= -0.230605 trlgG= -0.293509 logG= -0.061297 TDE= -0.338999 logGD-logG0= -0.001221 tlogG= -0.005563 logG= -0.006784 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010903 tlogG= -0.050312 logG= -0.061214 Density= 0.062745 ETOT(band)= -0.066636 trlgG= -0.084150 logG= -0.006784 TDE= -0.041956 Density= 0.216946 ETOT(band)= -0.230099 trlgG= -0.292958 logG= -0.061214 TDE= -0.339099 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.025008 logG= -0.029787 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213676 ETOT(band)= -0.230392 trlgG= -0.291604 logG= -0.029787 TDE= -0.169203 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002590 tlogG= -0.011548 logG= -0.014138 Density= 0.054394 ETOT(band)= -0.056761 trlgG= -0.071394 logG= -0.014138 TDE= -0.084173 logGD-logG0= -0.010941 tlogG= -0.051072 logG= -0.062013 logGD-logG0= -0.010618 tlogG= -0.049208 logG= -0.059825 Density= 0.216909 ETOT(band)= -0.230599 trlgG= -0.294239 logG= -0.062013 TDE= -0.339563 logGD-logG0= -0.010750 tlogG= -0.050946 logG= -0.061696 Density= 0.217444 ETOT(band)= -0.230176 trlgG= -0.293730 logG= -0.061696 TDE= -0.339636 Density= 0.216574 ETOT(band)= -0.229491 trlgG= -0.290832 logG= -0.059825 TDE= -0.338178 logGD-logG0= -0.010814 tlogG= -0.050544 logG= -0.061358 Density= 0.217226 ETOT(band)= -0.230057 trlgG= -0.293183 logG= -0.061358 TDE= -0.339319 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010607 tlogG= -0.050432 logG= -0.061039 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215082 ETOT(band)= -0.230708 trlgG= -0.293233 logG= -0.061039 TDE= -0.338627 logGD-logG0= -0.010221 tlogG= -0.050015 logG= -0.060236 Density= 0.215632 ETOT(band)= -0.230120 trlgG= -0.292165 logG= -0.060236 TDE= -0.338634 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.049938 logG= -0.060468 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.024244 logG= -0.029491 Density= 0.215946 ETOT(band)= -0.229043 trlgG= -0.289130 logG= -0.029491 TDE= -0.168815 Density= 0.216513 ETOT(band)= -0.229877 trlgG= -0.291881 logG= -0.060468 TDE= -0.338555 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010849 tlogG= -0.050068 logG= -0.060917 logGD-logG0= -0.010879 tlogG= -0.049841 logG= -0.060721 Density= 0.216895 ETOT(band)= -0.229834 trlgG= -0.292188 logG= -0.060721 TDE= -0.338798 Density= 0.215496 ETOT(band)= -0.230475 trlgG= -0.292667 logG= -0.060917 TDE= -0.338388 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023116 logG= -0.028144 Density= 0.109253 ETOT(band)= -0.113212 trlgG= -0.142514 logG= -0.028144 TDE= -0.168435 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005108 tlogG= -0.023421 logG= -0.028529 Density= 0.109045 ETOT(band)= -0.113568 trlgG= -0.143182 logG= -0.028529 TDE= -0.168614 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005103 tlogG= -0.023717 logG= -0.028820 Density= 0.109096 ETOT(band)= -0.113729 trlgG= -0.143650 logG= -0.028820 TDE= -0.168817 logGD-logG0= -0.001237 tlogG= -0.005696 logG= -0.006934 Density= 0.082124 ETOT(band)= -0.084455 trlgG= -0.105999 logG= -0.006934 TDE= -0.042055 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004956 tlogG= -0.022549 logG= -0.027505 Density= 0.109460 ETOT(band)= -0.112645 trlgG= -0.141381 logG= -0.027505 TDE= -0.168042 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005182 tlogG= -0.023698 logG= -0.028880 Density= 0.215170 ETOT(band)= -0.229177 trlgG= -0.289056 logG= -0.028880 TDE= -0.168546 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001730 tlogG= -0.007635 logG= -0.009365 Density= 0.072701 ETOT(band)= -0.075376 trlgG= -0.094650 logG= -0.009365 TDE= -0.056075 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005310 tlogG= -0.023232 logG= -0.028542 Density= 0.108410 ETOT(band)= -0.113868 trlgG= -0.143269 logG= -0.028542 TDE= -0.168374 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010363 tlogG= -0.046370 logG= -0.056734 Density= 0.217633 ETOT(band)= -0.227141 trlgG= -0.285881 logG= -0.056734 TDE= -0.336843 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.022763 logG= -0.027833 Density= 0.217701 ETOT(band)= -0.226725 trlgG= -0.284959 logG= -0.027833 TDE= -0.168167 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001264 tlogG= -0.006005 logG= -0.007268 Density= 0.081288 ETOT(band)= -0.085727 trlgG= -0.108408 logG= -0.007268 TDE= -0.042257 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.006317 logG= -0.007623 Density= 0.081381 ETOT(band)= -0.086337 trlgG= -0.110025 logG= -0.007623 TDE= -0.042443 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001300 tlogG= -0.006236 logG= -0.007536 Density= 0.081127 ETOT(band)= -0.086327 trlgG= -0.109915 logG= -0.007536 TDE= -0.042391 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.006131 logG= -0.007415 Density= 0.081063 ETOT(band)= -0.086147 trlgG= -0.109400 logG= -0.007415 TDE= -0.042329 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.006360 logG= -0.007666 Density= 0.081647 ETOT(band)= -0.086244 trlgG= -0.110072 logG= -0.007666 TDE= -0.042472 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001549 tlogG= -0.008389 logG= -0.009938 Density= 0.070987 ETOT(band)= -0.076916 trlgG= -0.097432 logG= -0.009938 TDE= -0.056433 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.025307 logG= -0.030671 Density= 0.216755 ETOT(band)= -0.230271 trlgG= -0.293395 logG= -0.030671 TDE= -0.169713 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.025503 logG= -0.030839 Density= 0.217196 ETOT(band)= -0.230342 trlgG= -0.293885 logG= -0.030839 TDE= -0.169863 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.025502 logG= -0.030805 Density= 0.217933 ETOT(band)= -0.229868 trlgG= -0.293440 logG= -0.030805 TDE= -0.169886 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.024960 logG= -0.030350 Density= 0.216554 ETOT(band)= -0.229884 trlgG= -0.292195 logG= -0.030350 TDE= -0.169462 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.025343 logG= -0.030633 Density= 0.215592 ETOT(band)= -0.230603 trlgG= -0.293169 logG= -0.030633 TDE= -0.169425 logGD-logG0= -0.005421 tlogG= -0.025621 logG= -0.031042 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217244 ETOT(band)= -0.230483 trlgG= -0.294277 logG= -0.031042 TDE= -0.169878 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.025233 logG= -0.030527 Density= 0.216958 ETOT(band)= -0.230256 trlgG= -0.293395 logG= -0.030527 TDE= -0.169421 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.025148 logG= -0.030398 Density= 0.214865 ETOT(band)= -0.230572 trlgG= -0.292471 logG= -0.030398 TDE= -0.169152 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024934 logG= -0.030243 Density= 0.217745 ETOT(band)= -0.229199 trlgG= -0.291355 logG= -0.030243 TDE= -0.169493 logGD-logG0= -0.010564 tlogG= -0.048500 logG= -0.059064 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326218 ETOT(band)= -0.342826 trlgG= -0.433840 logG= -0.059064 TDE= -0.338101 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.025398 logG= -0.030389 Density= 0.323275 ETOT(band)= -0.345976 trlgG= -0.440475 logG= -0.030389 TDE= -0.169590 logGD-logG0= -0.005296 tlogG= -0.025460 logG= -0.030756 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217969 ETOT(band)= -0.229770 trlgG= -0.293216 logG= -0.030756 TDE= -0.169862 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.024647 logG= -0.029649 logGD-logG0= -0.005276 tlogG= -0.024498 logG= -0.029774 logGD-logG0= -0.004838 tlogG= -0.024854 logG= -0.029692 Density= 0.214242 ETOT(band)= -0.230365 trlgG= -0.291850 logG= -0.029649 TDE= -0.169106 Density= 0.213036 ETOT(band)= -0.230854 trlgG= -0.292653 logG= -0.029692 TDE= -0.169121 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217737 ETOT(band)= -0.228652 trlgG= -0.289799 logG= -0.029774 TDE= -0.169218 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005262 tlogG= -0.025544 logG= -0.030806 logGD-logG0= -0.010629 tlogG= -0.050797 logG= -0.061426 Density= 0.326706 ETOT(band)= -0.344698 trlgG= -0.439663 logG= -0.061426 TDE= -0.339614 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324513 ETOT(band)= -0.345950 trlgG= -0.440763 logG= -0.030806 TDE= -0.169605 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.025233 logG= -0.030279 Density= 0.214490 ETOT(band)= -0.230786 trlgG= -0.293243 logG= -0.030279 TDE= -0.169401 logGD-logG0= -0.005466 tlogG= -0.025401 logG= -0.030867 logGD-logG0= -0.005400 tlogG= -0.024574 logG= -0.029973 Density= 0.216148 ETOT(band)= -0.229518 trlgG= -0.290504 logG= -0.029973 TDE= -0.168950 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217164 ETOT(band)= -0.230243 trlgG= -0.293618 logG= -0.030867 TDE= -0.169708 logGD-logG0= -0.010911 tlogG= -0.051024 logG= -0.061935 Density= 0.325489 ETOT(band)= -0.345689 trlgG= -0.440940 logG= -0.061935 TDE= -0.339559 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.025158 logG= -0.030098 logGD-logG0= -0.005236 tlogG= -0.025539 logG= -0.030775 Density= 0.216069 ETOT(band)= -0.230666 trlgG= -0.293749 logG= -0.030775 TDE= -0.169605 logGD-logG0= -0.010661 tlogG= -0.050262 logG= -0.060923 logGD-logG0= -0.005466 tlogG= -0.025468 logG= -0.030934 logGD-logG0= -0.004910 tlogG= -0.024768 logG= -0.029679 Density= 0.323143 ETOT(band)= -0.345082 trlgG= -0.438056 logG= -0.029679 TDE= -0.169275 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325275 ETOT(band)= -0.345888 trlgG= -0.441237 logG= -0.030934 TDE= -0.169689 Density= 0.326456 ETOT(band)= -0.344334 trlgG= -0.438353 logG= -0.060923 TDE= -0.339232 Density= 0.214084 ETOT(band)= -0.230547 trlgG= -0.292245 logG= -0.030098 TDE= -0.169226 logGD-logG0= -0.005564 tlogG= -0.024830 logG= -0.030395 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.024772 logG= -0.029651 Density= 0.215083 ETOT(band)= -0.230097 trlgG= -0.291912 logG= -0.029651 TDE= -0.169278 logGD-logG0= -0.004958 tlogG= -0.025400 logG= -0.030358 logGD-logG0= -0.005310 tlogG= -0.025271 logG= -0.030582 Density= 0.216515 ETOT(band)= -0.229859 trlgG= -0.291858 logG= -0.030395 TDE= -0.169242 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217849 ETOT(band)= -0.229570 trlgG= -0.292526 logG= -0.030582 TDE= -0.169724 Density= 0.215161 ETOT(band)= -0.230702 trlgG= -0.293593 logG= -0.030358 TDE= -0.169590 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010646 tlogG= -0.049461 logG= -0.060107 Density= 0.326256 ETOT(band)= -0.343708 trlgG= -0.436346 logG= -0.060107 TDE= -0.338696 logGD-logG0= -0.010129 tlogG= -0.049401 logG= -0.059530 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324551 ETOT(band)= -0.343948 trlgG= -0.435593 logG= -0.059530 TDE= -0.338382 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.025243 logG= -0.030157 Density= 0.213444 ETOT(band)= -0.231006 trlgG= -0.293311 logG= -0.030157 TDE= -0.169273 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005509 tlogG= -0.025193 logG= -0.030701 Density= 0.216894 ETOT(band)= -0.230095 trlgG= -0.292941 logG= -0.030701 TDE= -0.169531 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010574 tlogG= -0.050916 logG= -0.061490 Density= 0.431948 ETOT(band)= -0.461252 trlgG= -0.587063 logG= -0.061490 TDE= -0.339053 logGD-logG0= -0.005452 tlogG= -0.025459 logG= -0.030911 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325960 ETOT(band)= -0.345387 trlgG= -0.440698 logG= -0.030911 TDE= -0.169755 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.024641 logG= -0.029895 Density= 0.323530 ETOT(band)= -0.345387 trlgG= -0.438623 logG= -0.029895 TDE= -0.169161 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009630 tlogG= -0.050638 logG= -0.060267 Density= 0.426701 ETOT(band)= -0.461874 trlgG= -0.586144 logG= -0.060267 TDE= -0.338643 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009947 tlogG= -0.049410 logG= -0.059357 logGD-logG0= -0.005031 tlogG= -0.022856 logG= -0.027887 Density= 0.429964 ETOT(band)= -0.460230 trlgG= -0.583551 logG= -0.059357 TDE= -0.338377 Density= 0.163776 ETOT(band)= -0.170468 trlgG= -0.215400 logG= -0.027887 TDE= -0.168249 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010070 tlogG= -0.050627 logG= -0.060698 Density= 0.430156 ETOT(band)= -0.461344 trlgG= -0.586745 logG= -0.060698 TDE= -0.338987 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010920 tlogG= -0.050838 logG= -0.061757 Density= 0.432973 ETOT(band)= -0.461052 trlgG= -0.587214 logG= -0.061757 TDE= -0.339180 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010995 tlogG= -0.050595 logG= -0.061590 logGD-logG0= -0.010737 tlogG= -0.050729 logG= -0.061466 Density= 0.433693 ETOT(band)= -0.460488 trlgG= -0.586502 logG= -0.061590 TDE= -0.339211 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431849 ETOT(band)= -0.461203 trlgG= -0.586755 logG= -0.061466 TDE= -0.338866 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010270 tlogG= -0.050304 logG= -0.060574 Density= 0.429104 ETOT(band)= -0.461146 trlgG= -0.584960 logG= -0.060574 TDE= -0.338348 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010886 tlogG= -0.051020 logG= -0.061906 logGD-logG0= -0.010711 tlogG= -0.050987 logG= -0.061698 Density= 0.432847 ETOT(band)= -0.461221 trlgG= -0.587585 logG= -0.061698 TDE= -0.339102 Density= 0.434371 ETOT(band)= -0.460704 trlgG= -0.587798 logG= -0.061906 TDE= -0.339582 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010300 tlogG= -0.050211 logG= -0.060511 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428410 ETOT(band)= -0.461655 trlgG= -0.586129 logG= -0.060511 TDE= -0.338498 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.050638 logG= -0.060887 logGD-logG0= -0.010361 tlogG= -0.049199 logG= -0.059561 Density= 0.431880 ETOT(band)= -0.458799 trlgG= -0.580471 logG= -0.059561 TDE= -0.338090 logGD-logG0= -0.010418 tlogG= -0.050345 logG= -0.060763 Density= 0.430899 ETOT(band)= -0.460635 trlgG= -0.585089 logG= -0.060763 TDE= -0.338687 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431619 ETOT(band)= -0.461003 trlgG= -0.586602 logG= -0.060887 TDE= -0.339006 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010956 tlogG= -0.050701 logG= -0.061657 logGD-logG0= -0.001255 tlogG= -0.005855 logG= -0.007110 Density= 0.434104 ETOT(band)= -0.460430 trlgG= -0.586841 logG= -0.061657 TDE= -0.339323 Density= 0.081720 ETOT(band)= -0.085109 trlgG= -0.107145 logG= -0.007110 TDE= -0.042163 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023972 logG= -0.029193 Density= 0.217826 ETOT(band)= -0.227885 trlgG= -0.287939 logG= -0.029193 TDE= -0.168900 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010742 tlogG= -0.049718 logG= -0.060460 Density= 0.432533 ETOT(band)= -0.459551 trlgG= -0.582702 logG= -0.060460 TDE= -0.338277 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010671 tlogG= -0.050348 logG= -0.061019 Density= 0.432721 ETOT(band)= -0.460161 trlgG= -0.584617 logG= -0.061019 TDE= -0.338707 logGD-logG0= -0.010679 tlogG= -0.050440 logG= -0.061118 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430690 ETOT(band)= -0.461181 trlgG= -0.585924 logG= -0.061118 TDE= -0.338627 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011072 tlogG= -0.050118 logG= -0.061190 Density= 0.433372 ETOT(band)= -0.460084 trlgG= -0.585090 logG= -0.061190 TDE= -0.338836 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010146 tlogG= -0.049245 logG= -0.059391 Density= 0.429656 ETOT(band)= -0.459563 trlgG= -0.581023 logG= -0.059391 TDE= -0.337951 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001628 tlogG= -0.007397 logG= -0.009024 Density= 0.041135 ETOT(band)= -0.042064 trlgG= -0.052699 logG= -0.009024 TDE= -0.055925 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010427 tlogG= -0.047444 logG= -0.057871 Density= 0.326379 ETOT(band)= -0.341632 trlgG= -0.430961 logG= -0.057871 TDE= -0.337455 logGD-logG0= -0.005080 tlogG= -0.023733 logG= -0.028813 Density= 0.324589 ETOT(band)= -0.343019 trlgG= -0.433303 logG= -0.028813 TDE= -0.168636 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005039 tlogG= -0.023732 logG= -0.028771 Density= 0.216097 ETOT(band)= -0.228670 trlgG= -0.288649 logG= -0.028771 TDE= -0.168639 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001695 tlogG= -0.008013 logG= -0.009708 Density= 0.071823 ETOT(band)= -0.076253 trlgG= -0.096025 logG= -0.009708 TDE= -0.056213 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005190 tlogG= -0.023425 logG= -0.028615 Density= 0.218060 ETOT(band)= -0.226944 trlgG= -0.285862 logG= -0.028615 TDE= -0.168576 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.022905 logG= -0.028012 Density= 0.218478 ETOT(band)= -0.225873 trlgG= -0.283702 logG= -0.028012 TDE= -0.168256 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005258 tlogG= -0.023781 logG= -0.029038 Density= 0.216143 ETOT(band)= -0.228345 trlgG= -0.287554 logG= -0.029038 TDE= -0.168558 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010295 tlogG= -0.047434 logG= -0.057729 Density= 0.434148 ETOT(band)= -0.455431 trlgG= -0.573656 logG= -0.057729 TDE= -0.337189 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -320.066020141874 eV TrLogG= -407.205657535331 eV Ratio to renormalize= 0.994290540109 rho-rho_expected= 0.126329390187 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962392863923359 0.935530286448704 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002441 tlogG= -0.012647 logG= -0.015088 Density= 0.053810 ETOT(band)= -0.057662 trlgG= -0.073300 logG= -0.015088 TDE= -0.084840 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.025428 logG= -0.030330 Density= 0.106752 ETOT(band)= -0.115673 trlgG= -0.146971 logG= -0.030330 TDE= -0.169468 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.025021 logG= -0.030380 Density= 0.107573 ETOT(band)= -0.115374 trlgG= -0.146314 logG= -0.030380 TDE= -0.169166 logGD-logG0= -0.005510 tlogG= -0.025198 logG= -0.030708 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107910 ETOT(band)= -0.115420 trlgG= -0.146728 logG= -0.030708 TDE= -0.169419 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.024407 logG= -0.029746 Density= 0.108311 ETOT(band)= -0.114756 trlgG= -0.145278 logG= -0.029746 TDE= -0.169130 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.025214 logG= -0.030150 Density= 0.107449 ETOT(band)= -0.115362 trlgG= -0.146560 logG= -0.030150 TDE= -0.169581 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005417 tlogG= -0.024835 logG= -0.030252 logGD-logG0= -0.004979 tlogG= -0.024383 logG= -0.029363 Density= 0.107821 ETOT(band)= -0.114767 trlgG= -0.145133 logG= -0.029363 TDE= -0.169125 Density= 0.108427 ETOT(band)= -0.114979 trlgG= -0.146044 logG= -0.030252 TDE= -0.169447 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002533 tlogG= -0.012840 logG= -0.015374 Density= 0.053881 ETOT(band)= -0.057775 trlgG= -0.073630 logG= -0.015374 TDE= -0.084919 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.012810 logG= -0.015426 Density= 0.054543 ETOT(band)= -0.057525 trlgG= -0.073487 logG= -0.015426 TDE= -0.085051 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002679 tlogG= -0.012813 logG= -0.015492 Density= 0.054380 ETOT(band)= -0.057631 trlgG= -0.073596 logG= -0.015492 TDE= -0.085014 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.025268 logG= -0.030500 Density= 0.109010 ETOT(band)= -0.114881 trlgG= -0.146418 logG= -0.030500 TDE= -0.169862 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010214 tlogG= -0.048651 logG= -0.058864 Density= 0.215418 ETOT(band)= -0.229689 trlgG= -0.290325 logG= -0.058864 TDE= -0.338060 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.050694 logG= -0.060943 Density= 0.214222 ETOT(band)= -0.231206 trlgG= -0.293706 logG= -0.060943 TDE= -0.338770 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000201 tlogG= -0.000924 logG= -0.001125 Density= 0.004576 ETOT(band)= -0.004673 trlgG= -0.005855 logG= -0.001125 TDE= -0.006994 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002719 tlogG= -0.012786 logG= -0.015505 Density= 0.054126 ETOT(band)= -0.057742 trlgG= -0.073613 logG= -0.015505 TDE= -0.084893 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001612 tlogG= -0.008270 logG= -0.009881 Density= 0.035590 ETOT(band)= -0.038452 trlgG= -0.048675 logG= -0.009881 TDE= -0.056405 logGD-logG0= -0.005096 tlogG= -0.023568 logG= -0.028664 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.109070 ETOT(band)= -0.113748 trlgG= -0.143506 logG= -0.028664 TDE= -0.168815 logGD-logG0= -0.001527 tlogG= -0.008506 logG= -0.010033 Density= 0.035343 ETOT(band)= -0.038624 trlgG= -0.049067 logG= -0.010033 TDE= -0.056524 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002454 tlogG= -0.012214 logG= -0.014668 Density= 0.054010 ETOT(band)= -0.057337 trlgG= -0.072539 logG= -0.014668 TDE= -0.084598 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.025603 logG= -0.030853 Density= 0.109038 ETOT(band)= -0.115069 trlgG= -0.146975 logG= -0.030853 TDE= -0.170080 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.024660 logG= -0.029857 Density= 0.108919 ETOT(band)= -0.114571 trlgG= -0.145429 logG= -0.029857 TDE= -0.169471 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005487 tlogG= -0.025604 logG= -0.031091 Density= 0.108395 ETOT(band)= -0.115479 trlgG= -0.147360 logG= -0.031091 TDE= -0.169908 logGD-logG0= -0.005388 tlogG= -0.025734 logG= -0.031122 Density= 0.108674 ETOT(band)= -0.115393 trlgG= -0.147421 logG= -0.031122 TDE= -0.170076 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005257 tlogG= -0.025421 logG= -0.030679 logGD-logG0= -0.005128 tlogG= -0.024145 logG= -0.029273 Density= 0.108972 ETOT(band)= -0.114216 trlgG= -0.144516 logG= -0.029273 TDE= -0.169167 logGD-logG0= -0.004714 tlogG= -0.025357 logG= -0.030070 Density= 0.108984 ETOT(band)= -0.114992 trlgG= -0.146701 logG= -0.030679 TDE= -0.169953 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.025097 logG= -0.030342 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108929 ETOT(band)= -0.114831 trlgG= -0.146179 logG= -0.030342 TDE= -0.169740 Density= 0.106378 ETOT(band)= -0.115717 trlgG= -0.146912 logG= -0.030070 TDE= -0.169483 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.025610 logG= -0.030829 Density= 0.108055 ETOT(band)= -0.115464 trlgG= -0.147120 logG= -0.030829 TDE= -0.169761 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024580 logG= -0.029581 Density= 0.107135 ETOT(band)= -0.115167 trlgG= -0.145630 logG= -0.029581 TDE= -0.169065 logGD-logG0= -0.010339 tlogG= -0.046662 logG= -0.057002 logGD-logG0= -0.005236 tlogG= -0.025527 logG= -0.030763 Density= 0.109059 ETOT(band)= -0.115008 trlgG= -0.146832 logG= -0.030763 TDE= -0.170036 Density= 0.217688 ETOT(band)= -0.227496 trlgG= -0.286524 logG= -0.057002 TDE= -0.337245 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005459 tlogG= -0.025477 logG= -0.030936 Density= 0.108161 ETOT(band)= -0.115469 trlgG= -0.147103 logG= -0.030936 TDE= -0.169691 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005103 tlogG= -0.024380 logG= -0.029483 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108418 ETOT(band)= -0.114580 trlgG= -0.144951 logG= -0.029483 TDE= -0.169119 logGD-logG0= -0.005418 tlogG= -0.025780 logG= -0.031198 logGD-logG0= -0.005442 tlogG= -0.025518 logG= -0.030960 Density= 0.108519 ETOT(band)= -0.115351 trlgG= -0.147151 logG= -0.030960 TDE= -0.169891 Density= 0.108588 ETOT(band)= -0.115474 trlgG= -0.147540 logG= -0.031198 TDE= -0.170077 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.025051 logG= -0.030097 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.025215 logG= -0.030274 Density= 0.106979 ETOT(band)= -0.115495 trlgG= -0.146484 logG= -0.030097 TDE= -0.169326 logGD-logG0= -0.005093 tlogG= -0.024365 logG= -0.029458 Density= 0.108003 ETOT(band)= -0.115192 trlgG= -0.146416 logG= -0.030274 TDE= -0.169587 Density= 0.107300 ETOT(band)= -0.115034 trlgG= -0.145315 logG= -0.029458 TDE= -0.168954 logGD-logG0= -0.005125 tlogG= -0.024417 logG= -0.029543 logGD-logG0= -0.005194 tlogG= -0.024888 logG= -0.030082 Density= 0.108993 ETOT(band)= -0.114662 trlgG= -0.145773 logG= -0.030082 TDE= -0.169626 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.109037 ETOT(band)= -0.114345 trlgG= -0.144934 logG= -0.029543 TDE= -0.169349 logGD-logG0= -0.005101 tlogG= -0.024878 logG= -0.029979 logGD-logG0= -0.005249 tlogG= -0.023941 logG= -0.029190 Density= 0.108287 ETOT(band)= -0.114453 trlgG= -0.144430 logG= -0.029190 TDE= -0.168825 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107248 ETOT(band)= -0.115311 trlgG= -0.146085 logG= -0.029979 TDE= -0.169178 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.025331 logG= -0.030535 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107264 ETOT(band)= -0.115584 trlgG= -0.146937 logG= -0.030535 TDE= -0.169482 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.025588 logG= -0.030691 Density= 0.107632 ETOT(band)= -0.115554 trlgG= -0.147171 logG= -0.030691 TDE= -0.169742 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.025523 logG= -0.030897 Density= 0.108707 ETOT(band)= -0.115228 trlgG= -0.147050 logG= -0.030897 TDE= -0.169947 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.025706 logG= -0.031071 logGD-logG0= -0.005404 tlogG= -0.025240 logG= -0.030644 Density= 0.108739 ETOT(band)= -0.115332 trlgG= -0.147337 logG= -0.031071 TDE= -0.170075 Density= 0.108577 ETOT(band)= -0.115131 trlgG= -0.146646 logG= -0.030644 TDE= -0.169732 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.050392 logG= -0.060228 Density= 0.213635 ETOT(band)= -0.231116 trlgG= -0.293257 logG= -0.060228 TDE= -0.338747 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.050217 logG= -0.060310 Density= 0.214732 ETOT(band)= -0.230751 trlgG= -0.292952 logG= -0.060310 TDE= -0.338902 logGD-logG0= -0.010234 tlogG= -0.051279 logG= -0.061513 Density= 0.215633 ETOT(band)= -0.231047 trlgG= -0.294395 logG= -0.061513 TDE= -0.339588 logGD-logG0= -0.009952 tlogG= -0.048825 logG= -0.058777 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216182 ETOT(band)= -0.229341 trlgG= -0.290130 logG= -0.058777 TDE= -0.338330 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010957 tlogG= -0.050774 logG= -0.061731 logGD-logG0= -0.010511 tlogG= -0.049939 logG= -0.060451 logGD-logG0= -0.010367 tlogG= -0.050942 logG= -0.061309 Density= 0.215124 ETOT(band)= -0.231089 trlgG= -0.294099 logG= -0.061309 TDE= -0.339244 Density= 0.216176 ETOT(band)= -0.230898 trlgG= -0.293964 logG= -0.061731 TDE= -0.339208 Density= 0.214851 ETOT(band)= -0.230728 trlgG= -0.292689 logG= -0.060451 TDE= -0.338557 logGD-logG0= -0.009882 tlogG= -0.050502 logG= -0.060383 Density= 0.215373 ETOT(band)= -0.230580 trlgG= -0.293063 logG= -0.060383 TDE= -0.339257 logGD-logG0= -0.010762 tlogG= -0.051012 logG= -0.061775 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216528 ETOT(band)= -0.230815 trlgG= -0.294055 logG= -0.061775 TDE= -0.339429 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010922 tlogG= -0.051100 logG= -0.062023 logGD-logG0= -0.010323 tlogG= -0.048712 logG= -0.059034 Density= 0.216537 ETOT(band)= -0.230953 trlgG= -0.294456 logG= -0.062023 TDE= -0.339586 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001664 tlogG= -0.007560 logG= -0.009224 Density= 0.216449 ETOT(band)= -0.229348 trlgG= -0.290058 logG= -0.059034 TDE= -0.338134 Density= 0.036450 ETOT(band)= -0.037637 trlgG= -0.047260 logG= -0.009224 TDE= -0.056073 logGD-logG0= -0.010498 tlogG= -0.051067 logG= -0.061565 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215853 ETOT(band)= -0.230953 trlgG= -0.294116 logG= -0.061565 TDE= -0.339366 logGD-logG0= -0.010625 tlogG= -0.049468 logG= -0.060094 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216629 ETOT(band)= -0.229843 trlgG= -0.291474 logG= -0.060094 TDE= -0.338579 logGD-logG0= -0.010814 tlogG= -0.050822 logG= -0.061635 logGD-logG0= -0.010993 tlogG= -0.051045 logG= -0.062038 Density= 0.216590 ETOT(band)= -0.230935 trlgG= -0.294473 logG= -0.062038 TDE= -0.339614 logGD-logG0= -0.001806 tlogG= -0.007782 logG= -0.009588 logGD-logG0= -0.002588 tlogG= -0.011617 logG= -0.014205 Density= 0.036043 ETOT(band)= -0.038080 trlgG= -0.047920 logG= -0.009588 TDE= -0.056168 Density= 0.216046 ETOT(band)= -0.230897 trlgG= -0.293853 logG= -0.061635 TDE= -0.339129 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054408 ETOT(band)= -0.056850 trlgG= -0.071555 logG= -0.014205 TDE= -0.084274 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010613 tlogG= -0.050691 logG= -0.061305 logGD-logG0= -0.010855 tlogG= -0.050328 logG= -0.061184 logGD-logG0= -0.010918 tlogG= -0.051367 logG= -0.062285 Density= 0.215145 ETOT(band)= -0.231049 trlgG= -0.293833 logG= -0.061305 TDE= -0.338992 Density= 0.215555 ETOT(band)= -0.230820 trlgG= -0.293271 logG= -0.061184 TDE= -0.338754 Density= 0.216954 ETOT(band)= -0.230959 trlgG= -0.294891 logG= -0.062285 TDE= -0.339965 logGD-logG0= -0.010791 tlogG= -0.050839 logG= -0.061630 Density= 0.217269 ETOT(band)= -0.230420 trlgG= -0.293836 logG= -0.061630 TDE= -0.339722 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010777 tlogG= -0.051191 logG= -0.061968 Density= 0.217342 ETOT(band)= -0.230604 trlgG= -0.294383 logG= -0.061968 TDE= -0.339967 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010880 tlogG= -0.050606 logG= -0.061485 Density= 0.216991 ETOT(band)= -0.230459 trlgG= -0.293608 logG= -0.061485 TDE= -0.339501 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010729 tlogG= -0.051241 logG= -0.061970 Density= 0.217485 ETOT(band)= -0.230541 trlgG= -0.294386 logG= -0.061970 TDE= -0.340039 logGD-logG0= -0.010227 tlogG= -0.050275 logG= -0.060502 Density= 0.215693 ETOT(band)= -0.230464 trlgG= -0.292766 logG= -0.060502 TDE= -0.339000 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010538 tlogG= -0.050199 logG= -0.060737 Density= 0.216566 ETOT(band)= -0.230230 trlgG= -0.292497 logG= -0.060737 TDE= -0.338928 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.025434 logG= -0.030119 Density= 0.106313 ETOT(band)= -0.115762 trlgG= -0.147028 logG= -0.030119 TDE= -0.169518 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010856 tlogG= -0.050135 logG= -0.060991 Density= 0.216943 ETOT(band)= -0.230192 trlgG= -0.292837 logG= -0.060991 TDE= -0.339199 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002465 tlogG= -0.011280 logG= -0.013745 Density= 0.054765 ETOT(band)= -0.056344 trlgG= -0.070717 logG= -0.013745 TDE= -0.084072 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005017 tlogG= -0.023262 logG= -0.028279 Density= 0.109277 ETOT(band)= -0.113394 trlgG= -0.142839 logG= -0.028279 TDE= -0.168636 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004945 tlogG= -0.022695 logG= -0.027640 Density= 0.109482 ETOT(band)= -0.112828 trlgG= -0.141706 logG= -0.027640 TDE= -0.168243 logGD-logG0= -0.005091 tlogG= -0.023864 logG= -0.028955 Density= 0.109120 ETOT(band)= -0.113910 trlgG= -0.143976 logG= -0.028955 TDE= -0.169019 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005305 tlogG= -0.023369 logG= -0.028675 Density= 0.108441 ETOT(band)= -0.114041 trlgG= -0.143587 logG= -0.028675 TDE= -0.168574 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001281 tlogG= -0.006167 logG= -0.007449 Density= 0.081085 ETOT(band)= -0.086277 trlgG= -0.109631 logG= -0.007449 TDE= -0.042380 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.025473 logG= -0.030766 Density= 0.215650 ETOT(band)= -0.230949 trlgG= -0.293786 logG= -0.030766 TDE= -0.169608 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.025355 logG= -0.030287 Density= 0.213527 ETOT(band)= -0.231327 trlgG= -0.293858 logG= -0.030287 TDE= -0.169437 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.025262 logG= -0.030530 Density= 0.214932 ETOT(band)= -0.230909 trlgG= -0.293047 logG= -0.030530 TDE= -0.169330 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023250 logG= -0.028500 Density= 0.108601 ETOT(band)= -0.113855 trlgG= -0.143282 logG= -0.028500 TDE= -0.168524 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005552 tlogG= -0.024977 logG= -0.030529 logGD-logG0= -0.004882 tlogG= -0.024901 logG= -0.029783 Density= 0.215154 ETOT(band)= -0.230433 trlgG= -0.292506 logG= -0.029783 TDE= -0.169460 Density= 0.216567 ETOT(band)= -0.230212 trlgG= -0.292502 logG= -0.030529 TDE= -0.169443 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.024704 logG= -0.030106 Density= 0.216207 ETOT(band)= -0.229866 trlgG= -0.291127 logG= -0.030106 TDE= -0.169135 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005044 tlogG= -0.023860 logG= -0.028904 Density= 0.216164 ETOT(band)= -0.229012 trlgG= -0.289245 logG= -0.028904 TDE= -0.168822 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001297 tlogG= -0.006272 logG= -0.007570 Density= 0.081147 ETOT(band)= -0.086460 trlgG= -0.110148 logG= -0.007570 TDE= -0.042441 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001304 tlogG= -0.006397 logG= -0.007701 Density= 0.081662 ETOT(band)= -0.086382 trlgG= -0.110319 logG= -0.007701 TDE= -0.042523 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.025419 logG= -0.030719 Density= 0.217888 ETOT(band)= -0.229937 trlgG= -0.293184 logG= -0.030719 TDE= -0.169925 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010183 tlogG= -0.049469 logG= -0.059652 Density= 0.429808 ETOT(band)= -0.460226 trlgG= -0.582193 logG= -0.059652 TDE= -0.338308 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.023003 logG= -0.028022 Density= 0.163808 ETOT(band)= -0.170742 trlgG= -0.215890 logG= -0.028022 TDE= -0.168451 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010315 tlogG= -0.050458 logG= -0.060773 Density= 0.428557 ETOT(band)= -0.462315 trlgG= -0.587276 logG= -0.060773 TDE= -0.338861 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001555 tlogG= -0.008426 logG= -0.009980 Density= 0.071019 ETOT(band)= -0.077019 trlgG= -0.097611 logG= -0.009980 TDE= -0.056487 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001304 tlogG= -0.006354 logG= -0.007658 Density= 0.081398 ETOT(band)= -0.086472 trlgG= -0.110269 logG= -0.007658 TDE= -0.042493 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.006042 logG= -0.007302 Density= 0.081310 ETOT(band)= -0.085859 trlgG= -0.108639 logG= -0.007302 TDE= -0.042307 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.025119 logG= -0.029916 Density= 0.213764 ETOT(band)= -0.230712 trlgG= -0.292147 logG= -0.029916 TDE= -0.169366 logGD-logG0= -0.001624 tlogG= -0.007445 logG= -0.009069 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.041142 ETOT(band)= -0.042133 trlgG= -0.052821 logG= -0.009069 TDE= -0.055992 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001219 tlogG= -0.005599 logG= -0.006818 Density= 0.062767 ETOT(band)= -0.066733 trlgG= -0.084320 logG= -0.006818 TDE= -0.042006 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005325 tlogG= -0.025650 logG= -0.030976 Density= 0.217239 ETOT(band)= -0.230705 trlgG= -0.294539 logG= -0.030976 TDE= -0.170065 logGD-logG0= -0.004957 tlogG= -0.025270 logG= -0.030228 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214163 ETOT(band)= -0.230874 trlgG= -0.292796 logG= -0.030228 TDE= -0.169390 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.025454 logG= -0.030807 Density= 0.216802 ETOT(band)= -0.230629 trlgG= -0.294027 logG= -0.030807 TDE= -0.169914 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047723 logG= -0.058207 logGD-logG0= -0.005292 tlogG= -0.025650 logG= -0.030942 Density= 0.217970 ETOT(band)= -0.230237 trlgG= -0.294099 logG= -0.030942 TDE= -0.170088 Density= 0.326429 ETOT(band)= -0.342152 trlgG= -0.432011 logG= -0.058207 TDE= -0.337858 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004856 tlogG= -0.024965 logG= -0.029821 Density= 0.213128 ETOT(band)= -0.231168 trlgG= -0.293192 logG= -0.029821 TDE= -0.169284 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.047691 logG= -0.057995 Density= 0.434267 ETOT(band)= -0.456132 trlgG= -0.574898 logG= -0.057995 TDE= -0.337554 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005410 tlogG= -0.025769 logG= -0.031179 Density= 0.217286 ETOT(band)= -0.230846 trlgG= -0.294932 logG= -0.031179 TDE= -0.170079 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.025107 logG= -0.030485 Density= 0.216606 ETOT(band)= -0.230237 trlgG= -0.292823 logG= -0.030485 TDE= -0.169663 logGD-logG0= -0.005298 tlogG= -0.025364 logG= -0.030662 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217003 ETOT(band)= -0.230616 trlgG= -0.294033 logG= -0.030662 TDE= -0.169608 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024372 logG= -0.029623 Density= 0.216013 ETOT(band)= -0.229386 trlgG= -0.289742 logG= -0.029623 TDE= -0.168997 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.024898 logG= -0.029811 Density= 0.323241 ETOT(band)= -0.345593 trlgG= -0.438953 logG= -0.029811 TDE= -0.169458 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.025528 logG= -0.030522 Density= 0.323364 ETOT(band)= -0.346493 trlgG= -0.441380 logG= -0.030522 TDE= -0.169773 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.025608 logG= -0.030894 logGD-logG0= -0.010541 tlogG= -0.048792 logG= -0.059333 Density= 0.218006 ETOT(band)= -0.230139 trlgG= -0.293876 logG= -0.030894 TDE= -0.170063 Density= 0.326293 ETOT(band)= -0.343364 trlgG= -0.434811 logG= -0.059333 TDE= -0.338504 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.025669 logG= -0.030909 Density= 0.216122 ETOT(band)= -0.231017 trlgG= -0.294376 logG= -0.030909 TDE= -0.169788 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.025674 logG= -0.030940 Density= 0.324588 ETOT(band)= -0.346482 trlgG= -0.441715 logG= -0.030940 TDE= -0.169789 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.025081 logG= -0.030379 logGD-logG0= -0.010608 tlogG= -0.051092 logG= -0.061700 Density= 0.326764 ETOT(band)= -0.345250 trlgG= -0.440650 logG= -0.061700 TDE= -0.340018 logGD-logG0= -0.010622 tlogG= -0.049755 logG= -0.060377 logGD-logG0= -0.005455 tlogG= -0.025548 logG= -0.031003 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326324 ETOT(band)= -0.344250 trlgG= -0.437322 logG= -0.060377 TDE= -0.339098 Density= 0.217208 ETOT(band)= -0.230605 trlgG= -0.294271 logG= -0.031003 TDE= -0.169909 Density= 0.217788 ETOT(band)= -0.229564 trlgG= -0.292009 logG= -0.030379 TDE= -0.169694 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005468 tlogG= -0.025602 logG= -0.031070 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325343 ETOT(band)= -0.346428 trlgG= -0.442214 logG= -0.031070 TDE= -0.169890 logGD-logG0= -0.010888 tlogG= -0.051319 logG= -0.062207 Density= 0.325555 ETOT(band)= -0.346230 trlgG= -0.441918 logG= -0.062207 TDE= -0.339961 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010136 tlogG= -0.049661 logG= -0.059797 Density= 0.324640 ETOT(band)= -0.344470 trlgG= -0.436500 logG= -0.059797 TDE= -0.338749 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024772 logG= -0.030030 Density= 0.323619 ETOT(band)= -0.345905 trlgG= -0.439545 logG= -0.030030 TDE= -0.169362 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.024645 logG= -0.029909 logGD-logG0= -0.005005 tlogG= -0.024775 logG= -0.029780 Density= 0.214321 ETOT(band)= -0.230693 trlgG= -0.292434 logG= -0.029780 TDE= -0.169288 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217783 ETOT(band)= -0.229014 trlgG= -0.290450 logG= -0.029909 TDE= -0.169420 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005497 tlogG= -0.025340 logG= -0.030837 Density= 0.216941 ETOT(band)= -0.230454 trlgG= -0.293591 logG= -0.030837 TDE= -0.169732 logGD-logG0= -0.010639 tlogG= -0.050557 logG= -0.061196 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326519 ETOT(band)= -0.344881 trlgG= -0.439336 logG= -0.061196 TDE= -0.339635 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.025362 logG= -0.030411 Density= 0.214560 ETOT(band)= -0.231119 trlgG= -0.293835 logG= -0.030411 TDE= -0.169583 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.025530 logG= -0.030491 Density= 0.215224 ETOT(band)= -0.231043 trlgG= -0.294192 logG= -0.030491 TDE= -0.169772 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.025606 logG= -0.031048 logGD-logG0= -0.010582 tlogG= -0.051177 logG= -0.061758 Density= 0.432056 ETOT(band)= -0.461953 trlgG= -0.588314 logG= -0.061758 TDE= -0.339420 logGD-logG0= -0.001702 tlogG= -0.008049 logG= -0.009751 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326023 ETOT(band)= -0.345933 trlgG= -0.441680 logG= -0.031048 TDE= -0.169956 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071848 ETOT(band)= -0.076364 trlgG= -0.096221 logG= -0.009751 TDE= -0.056268 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009665 tlogG= -0.050861 logG= -0.060526 Density= 0.426872 ETOT(band)= -0.462512 trlgG= -0.587234 logG= -0.060526 TDE= -0.338971 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010076 tlogG= -0.050887 logG= -0.060963 Density= 0.430284 ETOT(band)= -0.462024 trlgG= -0.587942 logG= -0.060963 TDE= -0.339353 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.023826 logG= -0.029012 Density= 0.215247 ETOT(band)= -0.229510 trlgG= -0.289637 logG= -0.029012 TDE= -0.168728 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010927 tlogG= -0.051101 logG= -0.062028 Density= 0.433071 ETOT(band)= -0.461764 trlgG= -0.588508 logG= -0.062028 TDE= -0.339581 logGD-logG0= -0.009953 tlogG= -0.049668 logG= -0.059621 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430105 ETOT(band)= -0.460901 trlgG= -0.584738 logG= -0.059621 TDE= -0.338742 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010685 tlogG= -0.050699 logG= -0.061384 logGD-logG0= -0.010257 tlogG= -0.050898 logG= -0.061155 logGD-logG0= -0.010972 tlogG= -0.050889 logG= -0.061861 Density= 0.433786 ETOT(band)= -0.461206 trlgG= -0.587802 logG= -0.061861 TDE= -0.339613 Density= 0.430811 ETOT(band)= -0.461867 trlgG= -0.587128 logG= -0.061384 TDE= -0.338993 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431732 ETOT(band)= -0.461699 trlgG= -0.587815 logG= -0.061155 TDE= -0.339372 logGD-logG0= -0.001726 tlogG= -0.007683 logG= -0.009410 Density= 0.072719 ETOT(band)= -0.075496 trlgG= -0.094864 logG= -0.009410 TDE= -0.056142 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010748 tlogG= -0.049979 logG= -0.060727 Density= 0.432645 ETOT(band)= -0.460251 trlgG= -0.583952 logG= -0.060727 TDE= -0.338647 logGD-logG0= -0.010744 tlogG= -0.050990 logG= -0.061734 logGD-logG0= -0.010719 tlogG= -0.051249 logG= -0.061968 Density= 0.432946 ETOT(band)= -0.461931 trlgG= -0.588856 logG= -0.061968 TDE= -0.339479 logGD-logG0= -0.010307 tlogG= -0.050530 logG= -0.060837 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429246 ETOT(band)= -0.461812 trlgG= -0.586111 logG= -0.060837 TDE= -0.338679 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431958 ETOT(band)= -0.461902 trlgG= -0.587977 logG= -0.061734 TDE= -0.339233 logGD-logG0= -0.001235 tlogG= -0.005733 logG= -0.006967 Density= 0.082140 ETOT(band)= -0.084592 trlgG= -0.106243 logG= -0.006967 TDE= -0.042105 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010933 tlogG= -0.050996 logG= -0.061929 Density= 0.434193 ETOT(band)= -0.461152 trlgG= -0.588145 logG= -0.061929 TDE= -0.339725 logGD-logG0= -0.010368 tlogG= -0.049457 logG= -0.059825 logGD-logG0= -0.010863 tlogG= -0.051315 logG= -0.062178 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.432007 ETOT(band)= -0.459486 trlgG= -0.581670 logG= -0.059825 TDE= -0.338456 Density= 0.434457 ETOT(band)= -0.461430 trlgG= -0.589106 logG= -0.062178 TDE= -0.339984 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.050605 logG= -0.061028 Density= 0.431023 ETOT(band)= -0.461321 trlgG= -0.586291 logG= -0.061028 TDE= -0.339052 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004658 tlogG= -0.025515 logG= -0.030173 Density= 0.212540 ETOT(band)= -0.231582 trlgG= -0.294190 logG= -0.030173 TDE= -0.169555 logGD-logG0= -0.010679 tlogG= -0.050610 logG= -0.061288 Density= 0.432826 ETOT(band)= -0.460866 trlgG= -0.585846 logG= -0.061288 TDE= -0.339077 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023861 logG= -0.028947 Density= 0.324684 ETOT(band)= -0.343538 trlgG= -0.434203 logG= -0.028947 TDE= -0.168819 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011049 tlogG= -0.050410 logG= -0.061460 Density= 0.433469 ETOT(band)= -0.460797 trlgG= -0.586385 logG= -0.061460 TDE= -0.339237 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005892 logG= -0.007144 Density= 0.081739 ETOT(band)= -0.085244 trlgG= -0.107387 logG= -0.007144 TDE= -0.042214 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005209 tlogG= -0.024119 logG= -0.029327 Density= 0.217875 ETOT(band)= -0.228245 trlgG= -0.288587 logG= -0.029327 TDE= -0.169102 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023571 logG= -0.028749 Density= 0.218111 ETOT(band)= -0.227303 trlgG= -0.286509 logG= -0.028749 TDE= -0.168777 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005262 tlogG= -0.023908 logG= -0.029170 Density= 0.216211 ETOT(band)= -0.228686 trlgG= -0.288167 logG= -0.029170 TDE= -0.168741 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.023051 logG= -0.028147 Density= 0.218526 ETOT(band)= -0.226235 trlgG= -0.284350 logG= -0.028147 TDE= -0.168457 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005058 tlogG= -0.022909 logG= -0.027967 Density= 0.217756 ETOT(band)= -0.227080 trlgG= -0.285602 logG= -0.027967 TDE= -0.168368 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -320.551569805804 eV TrLogG= -408.108101594850 eV Ratio to renormalize= 0.994028535811 rho-rho_expected= 0.132161409288 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 124 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962398997082437 0.935533772447852 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004902 tlogG= -0.025431 logG= -0.030334 Density= 0.106753 ETOT(band)= -0.115678 trlgG= -0.146979 logG= -0.030334 TDE= -0.169472 logGD-logG0= -0.005510 tlogG= -0.025202 logG= -0.030712 Density= 0.107910 ETOT(band)= -0.115425 trlgG= -0.146737 logG= -0.030712 TDE= -0.169424 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.024893 logG= -0.030087 Density= 0.108993 ETOT(band)= -0.114667 trlgG= -0.145783 logG= -0.030087 TDE= -0.169631 logGD-logG0= -0.005125 tlogG= -0.024422 logG= -0.029547 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.109037 ETOT(band)= -0.114350 trlgG= -0.144944 logG= -0.029547 TDE= -0.169354 logGD-logG0= -0.005339 tlogG= -0.024411 logG= -0.029750 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108311 ETOT(band)= -0.114760 trlgG= -0.145287 logG= -0.029750 TDE= -0.169135 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.025591 logG= -0.030695 Density= 0.107633 ETOT(band)= -0.115559 trlgG= -0.147180 logG= -0.030695 TDE= -0.169747 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005417 tlogG= -0.024839 logG= -0.030256 logGD-logG0= -0.004936 tlogG= -0.025218 logG= -0.030154 Density= 0.107450 ETOT(band)= -0.115367 trlgG= -0.146569 logG= -0.030154 TDE= -0.169586 Density= 0.108427 ETOT(band)= -0.114984 trlgG= -0.146053 logG= -0.030256 TDE= -0.169452 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002533 tlogG= -0.012842 logG= -0.015376 Density= 0.053881 ETOT(band)= -0.057777 trlgG= -0.073634 logG= -0.015376 TDE= -0.084922 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.012813 logG= -0.015429 Density= 0.054543 ETOT(band)= -0.057527 trlgG= -0.073492 logG= -0.015429 TDE= -0.085054 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.025531 logG= -0.030767 Density= 0.109059 ETOT(band)= -0.115013 trlgG= -0.146841 logG= -0.030767 TDE= -0.170042 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.025527 logG= -0.030901 Density= 0.108708 ETOT(band)= -0.115234 trlgG= -0.147060 logG= -0.030901 TDE= -0.169953 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.025244 logG= -0.030648 Density= 0.108577 ETOT(band)= -0.115136 trlgG= -0.146655 logG= -0.030648 TDE= -0.169737 logGD-logG0= -0.010214 tlogG= -0.048658 logG= -0.058872 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215420 ETOT(band)= -0.229699 trlgG= -0.290342 logG= -0.058872 TDE= -0.338070 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010512 tlogG= -0.049947 logG= -0.060459 Density= 0.214853 ETOT(band)= -0.230737 trlgG= -0.292706 logG= -0.060459 TDE= -0.338567 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002441 tlogG= -0.012649 logG= -0.015090 Density= 0.053810 ETOT(band)= -0.057664 trlgG= -0.073304 logG= -0.015090 TDE= -0.084842 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002454 tlogG= -0.012216 logG= -0.014670 Density= 0.054011 ETOT(band)= -0.057340 trlgG= -0.072543 logG= -0.014670 TDE= -0.084601 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001527 tlogG= -0.008507 logG= -0.010034 Density= 0.035343 ETOT(band)= -0.038626 trlgG= -0.049070 logG= -0.010034 TDE= -0.056525 logGD-logG0= -0.002719 tlogG= -0.012788 logG= -0.015507 Density= 0.054127 ETOT(band)= -0.057744 trlgG= -0.073618 logG= -0.015507 TDE= -0.084896 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010339 tlogG= -0.046671 logG= -0.057010 Density= 0.217689 ETOT(band)= -0.227506 trlgG= -0.286543 logG= -0.057010 TDE= -0.337256 logGD-logG0= -0.001612 tlogG= -0.008271 logG= -0.009883 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035590 ETOT(band)= -0.038454 trlgG= -0.048678 logG= -0.009883 TDE= -0.056407 logGD-logG0= -0.005250 tlogG= -0.025607 logG= -0.030857 Density= 0.109038 ETOT(band)= -0.115074 trlgG= -0.146985 logG= -0.030857 TDE= -0.170085 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.024149 logG= -0.029277 Density= 0.108972 ETOT(band)= -0.114221 trlgG= -0.144525 logG= -0.029277 TDE= -0.169173 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.024664 logG= -0.029861 logGD-logG0= -0.002679 tlogG= -0.012815 logG= -0.015494 logGD-logG0= -0.004685 tlogG= -0.025437 logG= -0.030123 Density= 0.106314 ETOT(band)= -0.115766 trlgG= -0.147036 logG= -0.030123 TDE= -0.169523 logGD-logG0= -0.005257 tlogG= -0.025426 logG= -0.030683 Density= 0.054381 ETOT(band)= -0.057633 trlgG= -0.073601 logG= -0.015494 TDE= -0.085017 Density= 0.108920 ETOT(band)= -0.114576 trlgG= -0.145439 logG= -0.029861 TDE= -0.169477 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108985 ETOT(band)= -0.114997 trlgG= -0.146710 logG= -0.030683 TDE= -0.169958 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004714 tlogG= -0.025360 logG= -0.030074 Density= 0.106379 ETOT(band)= -0.115722 trlgG= -0.146920 logG= -0.030074 TDE= -0.169487 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000201 tlogG= -0.000924 logG= -0.001126 logGD-logG0= -0.005487 tlogG= -0.025608 logG= -0.031095 Density= 0.108395 ETOT(band)= -0.115484 trlgG= -0.147370 logG= -0.031095 TDE= -0.169914 logGD-logG0= -0.005060 tlogG= -0.025218 logG= -0.030278 Density= 0.108004 ETOT(band)= -0.115197 trlgG= -0.146425 logG= -0.030278 TDE= -0.169593 logGD-logG0= -0.005360 tlogG= -0.025025 logG= -0.030384 Density= 0.107574 ETOT(band)= -0.115379 trlgG= -0.146322 logG= -0.030384 TDE= -0.169171 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.024583 logG= -0.029585 Density= 0.107137 ETOT(band)= -0.115171 trlgG= -0.145638 logG= -0.029585 TDE= -0.169069 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.025614 logG= -0.030833 Density= 0.108056 ETOT(band)= -0.115469 trlgG= -0.147128 logG= -0.030833 TDE= -0.169766 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.024384 logG= -0.029487 Density= 0.108419 ETOT(band)= -0.114585 trlgG= -0.144960 logG= -0.029487 TDE= -0.169124 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.025522 logG= -0.030964 logGD-logG0= -0.005245 tlogG= -0.025102 logG= -0.030346 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108929 ETOT(band)= -0.114836 trlgG= -0.146188 logG= -0.030346 TDE= -0.169746 Density= 0.108519 ETOT(band)= -0.115356 trlgG= -0.147160 logG= -0.030964 TDE= -0.169897 logGD-logG0= -0.005249 tlogG= -0.023945 logG= -0.029194 Density= 0.108288 ETOT(band)= -0.114457 trlgG= -0.144439 logG= -0.029194 TDE= -0.168831 logGD-logG0= -0.005388 tlogG= -0.025739 logG= -0.031126 logGD-logG0= -0.005459 tlogG= -0.025481 logG= -0.030940 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.024368 logG= -0.029462 Density= 0.107301 ETOT(band)= -0.115039 trlgG= -0.145323 logG= -0.029462 TDE= -0.168959 Density= 0.108162 ETOT(band)= -0.115474 trlgG= -0.147112 logG= -0.030940 TDE= -0.169696 Density= 0.108674 ETOT(band)= -0.115398 trlgG= -0.147430 logG= -0.031126 TDE= -0.170081 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005418 tlogG= -0.025784 logG= -0.031202 Density= 0.108589 ETOT(band)= -0.115479 trlgG= -0.147550 logG= -0.031202 TDE= -0.170083 logGD-logG0= -0.005102 tlogG= -0.024881 logG= -0.029983 Density= 0.107249 ETOT(band)= -0.115316 trlgG= -0.146093 logG= -0.029983 TDE= -0.169183 logGD-logG0= -0.005204 tlogG= -0.025335 logG= -0.030538 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107265 ETOT(band)= -0.115589 trlgG= -0.146946 logG= -0.030538 TDE= -0.169487 logGD-logG0= -0.005046 tlogG= -0.025054 logG= -0.030101 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106980 ETOT(band)= -0.115500 trlgG= -0.146492 logG= -0.030101 TDE= -0.169331 Density= 0.004576 ETOT(band)= -0.004674 trlgG= -0.005855 logG= -0.001126 TDE= -0.006994 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.025272 logG= -0.030504 Density= 0.109010 ETOT(band)= -0.114886 trlgG= -0.146428 logG= -0.030504 TDE= -0.169868 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009837 tlogG= -0.050399 logG= -0.060236 Density= 0.213637 ETOT(band)= -0.231125 trlgG= -0.293273 logG= -0.060236 TDE= -0.338756 logGD-logG0= -0.010235 tlogG= -0.051286 logG= -0.061521 logGD-logG0= -0.004979 tlogG= -0.024387 logG= -0.029367 Density= 0.215635 ETOT(band)= -0.231057 trlgG= -0.294412 logG= -0.061521 TDE= -0.339598 Density= 0.107822 ETOT(band)= -0.114772 trlgG= -0.145141 logG= -0.029367 TDE= -0.169130 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010094 tlogG= -0.050225 logG= -0.060318 Density= 0.214734 ETOT(band)= -0.230760 trlgG= -0.292969 logG= -0.060318 TDE= -0.338912 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.050950 logG= -0.061317 logGD-logG0= -0.005365 tlogG= -0.025710 logG= -0.031076 Density= 0.215125 ETOT(band)= -0.231098 trlgG= -0.294116 logG= -0.061317 TDE= -0.339254 Density= 0.108740 ETOT(band)= -0.115337 trlgG= -0.147347 logG= -0.031076 TDE= -0.170081 logGD-logG0= -0.009952 tlogG= -0.048833 logG= -0.058785 Density= 0.216184 ETOT(band)= -0.229351 trlgG= -0.290147 logG= -0.058785 TDE= -0.338341 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010957 tlogG= -0.050782 logG= -0.061739 logGD-logG0= -0.009882 tlogG= -0.050509 logG= -0.060391 Density= 0.215375 ETOT(band)= -0.230589 trlgG= -0.293080 logG= -0.060391 TDE= -0.339267 logGD-logG0= -0.010814 tlogG= -0.050829 logG= -0.061643 Density= 0.216178 ETOT(band)= -0.230908 trlgG= -0.293982 logG= -0.061739 TDE= -0.339219 logGD-logG0= -0.010251 tlogG= -0.050701 logG= -0.060951 logGD-logG0= -0.010323 tlogG= -0.048720 logG= -0.059042 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216048 ETOT(band)= -0.230906 trlgG= -0.293871 logG= -0.061643 TDE= -0.339139 logGD-logG0= -0.010923 tlogG= -0.051108 logG= -0.062031 logGD-logG0= -0.001806 tlogG= -0.007784 logG= -0.009590 Density= 0.036043 ETOT(band)= -0.038082 trlgG= -0.047923 logG= -0.009590 TDE= -0.056170 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216451 ETOT(band)= -0.229358 trlgG= -0.290075 logG= -0.059042 TDE= -0.338144 Density= 0.214223 ETOT(band)= -0.231215 trlgG= -0.293722 logG= -0.060951 TDE= -0.338779 logGD-logG0= -0.001664 tlogG= -0.007562 logG= -0.009225 Density= 0.036450 ETOT(band)= -0.037639 trlgG= -0.047263 logG= -0.009225 TDE= -0.056075 Density= 0.216538 ETOT(band)= -0.230963 trlgG= -0.294474 logG= -0.062031 TDE= -0.339597 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010626 tlogG= -0.049476 logG= -0.060102 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216630 ETOT(band)= -0.229853 trlgG= -0.291492 logG= -0.060102 TDE= -0.338590 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.051074 logG= -0.061573 Density= 0.215854 ETOT(band)= -0.230963 trlgG= -0.294134 logG= -0.061573 TDE= -0.339376 logGD-logG0= -0.005294 tlogG= -0.025477 logG= -0.030770 logGD-logG0= -0.010993 tlogG= -0.051053 logG= -0.062046 Density= 0.215652 ETOT(band)= -0.230958 trlgG= -0.293804 logG= -0.030770 TDE= -0.169613 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216591 ETOT(band)= -0.230945 trlgG= -0.294492 logG= -0.062046 TDE= -0.339625 logGD-logG0= -0.010918 tlogG= -0.051376 logG= -0.062294 logGD-logG0= -0.010879 tlogG= -0.050614 logG= -0.061494 logGD-logG0= -0.002465 tlogG= -0.011283 logG= -0.013748 Density= 0.054765 ETOT(band)= -0.056346 trlgG= -0.070721 logG= -0.013748 TDE= -0.084074 Density= 0.216955 ETOT(band)= -0.230969 trlgG= -0.294910 logG= -0.062294 TDE= -0.339976 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216992 ETOT(band)= -0.230469 trlgG= -0.293627 logG= -0.061494 TDE= -0.339512 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.025085 logG= -0.030383 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217789 ETOT(band)= -0.229574 trlgG= -0.292028 logG= -0.030383 TDE= -0.169700 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010614 tlogG= -0.050699 logG= -0.061313 Density= 0.215146 ETOT(band)= -0.231058 trlgG= -0.293850 logG= -0.061313 TDE= -0.339002 logGD-logG0= -0.010791 tlogG= -0.050848 logG= -0.061639 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217270 ETOT(band)= -0.230430 trlgG= -0.293855 logG= -0.061639 TDE= -0.339733 logGD-logG0= -0.010728 tlogG= -0.051250 logG= -0.061978 logGD-logG0= -0.010776 tlogG= -0.051200 logG= -0.061976 Density= 0.217342 ETOT(band)= -0.230614 trlgG= -0.294402 logG= -0.061976 TDE= -0.339978 Density= 0.217486 ETOT(band)= -0.230551 trlgG= -0.294405 logG= -0.061978 TDE= -0.340050 logGD-logG0= -0.010763 tlogG= -0.051020 logG= -0.061783 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.024649 logG= -0.029913 logGD-logG0= -0.010228 tlogG= -0.050282 logG= -0.060510 Density= 0.215695 ETOT(band)= -0.230474 trlgG= -0.292784 logG= -0.060510 TDE= -0.339010 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216529 ETOT(band)= -0.230825 trlgG= -0.294073 logG= -0.061783 TDE= -0.339440 Density= 0.217784 ETOT(band)= -0.229024 trlgG= -0.290469 logG= -0.029913 TDE= -0.169426 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010856 tlogG= -0.050336 logG= -0.061192 logGD-logG0= -0.010538 tlogG= -0.050207 logG= -0.060745 logGD-logG0= -0.005552 tlogG= -0.024981 logG= -0.030533 Density= 0.215557 ETOT(band)= -0.230829 trlgG= -0.293288 logG= -0.061192 TDE= -0.338765 Density= 0.216567 ETOT(band)= -0.230240 trlgG= -0.292515 logG= -0.060745 TDE= -0.338939 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216569 ETOT(band)= -0.230222 trlgG= -0.292521 logG= -0.030533 TDE= -0.169448 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.025533 logG= -0.030495 logGD-logG0= -0.010855 tlogG= -0.050144 logG= -0.060999 Density= 0.215226 ETOT(band)= -0.231053 trlgG= -0.294210 logG= -0.030495 TDE= -0.169777 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216944 ETOT(band)= -0.230203 trlgG= -0.292855 logG= -0.060999 TDE= -0.339211 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.024708 logG= -0.030110 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216209 ETOT(band)= -0.229875 trlgG= -0.291145 logG= -0.030110 TDE= -0.169140 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.024905 logG= -0.029787 logGD-logG0= -0.002588 tlogG= -0.011619 logG= -0.014207 Density= 0.054408 ETOT(band)= -0.056853 trlgG= -0.071560 logG= -0.014207 TDE= -0.084277 Density= 0.215155 ETOT(band)= -0.230442 trlgG= -0.292523 logG= -0.029787 TDE= -0.169465 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004933 tlogG= -0.025358 logG= -0.030291 Density= 0.213529 ETOT(band)= -0.231336 trlgG= -0.293874 logG= -0.030291 TDE= -0.169442 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.023267 logG= -0.028283 Density= 0.109278 ETOT(band)= -0.113399 trlgG= -0.142849 logG= -0.028283 TDE= -0.168642 logGD-logG0= -0.005096 tlogG= -0.023573 logG= -0.028668 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.109071 ETOT(band)= -0.113753 trlgG= -0.143515 logG= -0.028668 TDE= -0.168821 logGD-logG0= -0.004945 tlogG= -0.022700 logG= -0.027644 Density= 0.109483 ETOT(band)= -0.112833 trlgG= -0.141716 logG= -0.027644 TDE= -0.168249 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.023868 logG= -0.028959 Density= 0.109121 ETOT(band)= -0.113915 trlgG= -0.143985 logG= -0.028959 TDE= -0.169024 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005305 tlogG= -0.023373 logG= -0.028679 Density= 0.108442 ETOT(band)= -0.114046 trlgG= -0.143596 logG= -0.028679 TDE= -0.168580 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005250 tlogG= -0.023254 logG= -0.028504 Density= 0.108602 ETOT(band)= -0.113860 trlgG= -0.143291 logG= -0.028504 TDE= -0.168529 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001297 tlogG= -0.006274 logG= -0.007571 Density= 0.081148 ETOT(band)= -0.086463 trlgG= -0.110155 logG= -0.007571 TDE= -0.042443 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005455 tlogG= -0.025553 logG= -0.031008 Density= 0.217209 ETOT(band)= -0.230616 trlgG= -0.294290 logG= -0.031008 TDE= -0.169914 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.025613 logG= -0.030898 Density= 0.218007 ETOT(band)= -0.230150 trlgG= -0.293895 logG= -0.030898 TDE= -0.170069 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005497 tlogG= -0.025344 logG= -0.030841 Density= 0.216942 ETOT(band)= -0.230464 trlgG= -0.293610 logG= -0.030841 TDE= -0.169738 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010184 tlogG= -0.049475 logG= -0.059660 Density= 0.429812 ETOT(band)= -0.460245 trlgG= -0.582227 logG= -0.059660 TDE= -0.338318 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.023007 logG= -0.028026 Density= 0.163809 ETOT(band)= -0.170749 trlgG= -0.215904 logG= -0.028026 TDE= -0.168456 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010308 tlogG= -0.050537 logG= -0.060845 Density= 0.429250 ETOT(band)= -0.461831 trlgG= -0.586145 logG= -0.060845 TDE= -0.338688 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.006043 logG= -0.007303 Density= 0.081311 ETOT(band)= -0.085862 trlgG= -0.108646 logG= -0.007303 TDE= -0.042309 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.006169 logG= -0.007450 Density= 0.081085 ETOT(band)= -0.086281 trlgG= -0.109638 logG= -0.007450 TDE= -0.042381 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.047699 logG= -0.058003 Density= 0.434270 ETOT(band)= -0.456152 trlgG= -0.574935 logG= -0.058003 TDE= -0.337564 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001555 tlogG= -0.008427 logG= -0.009982 Density= 0.071020 ETOT(band)= -0.077022 trlgG= -0.097616 logG= -0.009982 TDE= -0.056489 logGD-logG0= -0.001304 tlogG= -0.006355 logG= -0.007659 Density= 0.081399 ETOT(band)= -0.086476 trlgG= -0.110276 logG= -0.007659 TDE= -0.042495 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001304 tlogG= -0.006398 logG= -0.007702 Density= 0.081662 ETOT(band)= -0.086385 trlgG= -0.110326 logG= -0.007702 TDE= -0.042524 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004857 tlogG= -0.024968 logG= -0.029825 Density= 0.213131 ETOT(band)= -0.231177 trlgG= -0.293208 logG= -0.029825 TDE= -0.169289 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004658 tlogG= -0.025519 logG= -0.030177 Density= 0.212542 ETOT(band)= -0.231591 trlgG= -0.294205 logG= -0.030177 TDE= -0.169559 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004958 tlogG= -0.025274 logG= -0.030232 Density= 0.214165 ETOT(band)= -0.230883 trlgG= -0.292812 logG= -0.030232 TDE= -0.169394 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005600 logG= -0.006819 Density= 0.062767 ETOT(band)= -0.066736 trlgG= -0.084325 logG= -0.006819 TDE= -0.042008 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004798 tlogG= -0.025122 logG= -0.029920 Density= 0.213766 ETOT(band)= -0.230721 trlgG= -0.292163 logG= -0.029920 TDE= -0.169371 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024376 logG= -0.029627 logGD-logG0= -0.005292 tlogG= -0.025654 logG= -0.030946 Density= 0.216014 ETOT(band)= -0.229395 trlgG= -0.289760 logG= -0.029627 TDE= -0.169002 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.025655 logG= -0.030980 Density= 0.217971 ETOT(band)= -0.230248 trlgG= -0.294119 logG= -0.030946 TDE= -0.170093 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217240 ETOT(band)= -0.230715 trlgG= -0.294558 logG= -0.030980 TDE= -0.170070 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.025458 logG= -0.030811 Density= 0.216803 ETOT(band)= -0.230639 trlgG= -0.294046 logG= -0.030811 TDE= -0.169920 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.025111 logG= -0.030489 Density= 0.216608 ETOT(band)= -0.230247 trlgG= -0.292841 logG= -0.030489 TDE= -0.169669 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.025532 logG= -0.030526 Density= 0.323366 ETOT(band)= -0.346508 trlgG= -0.441406 logG= -0.030526 TDE= -0.169778 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.025368 logG= -0.030666 Density= 0.217005 ETOT(band)= -0.230626 trlgG= -0.294051 logG= -0.030666 TDE= -0.169614 logGD-logG0= -0.010541 tlogG= -0.048801 logG= -0.059341 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326295 ETOT(band)= -0.343379 trlgG= -0.434839 logG= -0.059341 TDE= -0.338515 logGD-logG0= -0.004914 tlogG= -0.024902 logG= -0.029815 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323244 ETOT(band)= -0.345607 trlgG= -0.438979 logG= -0.029815 TDE= -0.169463 logGD-logG0= -0.005410 tlogG= -0.025773 logG= -0.031183 Density= 0.217287 ETOT(band)= -0.230857 trlgG= -0.294951 logG= -0.031183 TDE= -0.170085 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010607 tlogG= -0.051101 logG= -0.061708 Density= 0.326766 ETOT(band)= -0.345265 trlgG= -0.440678 logG= -0.061708 TDE= -0.340029 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.025265 logG= -0.030534 Density= 0.214933 ETOT(band)= -0.230918 trlgG= -0.293064 logG= -0.030534 TDE= -0.169335 logGD-logG0= -0.005468 tlogG= -0.025606 logG= -0.031074 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325344 ETOT(band)= -0.346443 trlgG= -0.442242 logG= -0.031074 TDE= -0.169895 logGD-logG0= -0.010137 tlogG= -0.049668 logG= -0.059805 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010888 tlogG= -0.051327 logG= -0.062215 Density= 0.325557 ETOT(band)= -0.346245 trlgG= -0.441946 logG= -0.062215 TDE= -0.339972 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010621 tlogG= -0.049764 logG= -0.060386 Density= 0.324642 ETOT(band)= -0.344485 trlgG= -0.436526 logG= -0.059805 TDE= -0.338759 Density= 0.326326 ETOT(band)= -0.344266 trlgG= -0.437351 logG= -0.060386 TDE= -0.339109 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.025673 logG= -0.030913 Density= 0.216123 ETOT(band)= -0.231027 trlgG= -0.294394 logG= -0.030913 TDE= -0.169793 logGD-logG0= -0.001235 tlogG= -0.005734 logG= -0.006968 Density= 0.082140 ETOT(band)= -0.084596 trlgG= -0.106250 logG= -0.006968 TDE= -0.042107 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.025678 logG= -0.030944 Density= 0.324590 ETOT(band)= -0.346497 trlgG= -0.441743 logG= -0.030944 TDE= -0.169794 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024776 logG= -0.030034 Density= 0.323621 ETOT(band)= -0.345919 trlgG= -0.439572 logG= -0.030034 TDE= -0.169367 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.025366 logG= -0.030415 Density= 0.214562 ETOT(band)= -0.231129 trlgG= -0.293852 logG= -0.030415 TDE= -0.169588 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.025423 logG= -0.030723 Density= 0.217889 ETOT(band)= -0.229948 trlgG= -0.293203 logG= -0.030723 TDE= -0.169931 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001702 tlogG= -0.008050 logG= -0.009753 Density= 0.071849 ETOT(band)= -0.076368 trlgG= -0.096227 logG= -0.009753 TDE= -0.056269 logGD-logG0= -0.001726 tlogG= -0.007685 logG= -0.009411 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072719 ETOT(band)= -0.075499 trlgG= -0.094871 logG= -0.009411 TDE= -0.056144 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010639 tlogG= -0.050565 logG= -0.061204 Density= 0.326520 ETOT(band)= -0.344897 trlgG= -0.439364 logG= -0.061204 TDE= -0.339646 logGD-logG0= -0.005441 tlogG= -0.025611 logG= -0.031052 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.326024 ETOT(band)= -0.345948 trlgG= -0.441708 logG= -0.031052 TDE= -0.169962 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024779 logG= -0.029784 Density= 0.214323 ETOT(band)= -0.230702 trlgG= -0.292451 logG= -0.029784 TDE= -0.169293 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010076 tlogG= -0.050894 logG= -0.060971 Density= 0.430287 ETOT(band)= -0.462043 trlgG= -0.587977 logG= -0.060971 TDE= -0.339363 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009666 tlogG= -0.050868 logG= -0.060534 logGD-logG0= -0.010582 tlogG= -0.051184 logG= -0.061766 Density= 0.426876 ETOT(band)= -0.462530 trlgG= -0.587265 logG= -0.060534 TDE= -0.338980 Density= 0.432058 ETOT(band)= -0.461972 trlgG= -0.588350 logG= -0.061766 TDE= -0.339430 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.049676 logG= -0.059629 Density= 0.430109 ETOT(band)= -0.460919 trlgG= -0.584772 logG= -0.059629 TDE= -0.338752 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010972 tlogG= -0.050897 logG= -0.061869 logGD-logG0= -0.010744 tlogG= -0.050998 logG= -0.061742 Density= 0.431960 ETOT(band)= -0.461922 trlgG= -0.588012 logG= -0.061742 TDE= -0.339243 Density= 0.433788 ETOT(band)= -0.461226 trlgG= -0.587839 logG= -0.061869 TDE= -0.339624 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010749 tlogG= -0.049987 logG= -0.060735 Density= 0.432648 ETOT(band)= -0.460271 trlgG= -0.583988 logG= -0.060735 TDE= -0.338657 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010257 tlogG= -0.050906 logG= -0.061163 Density= 0.431735 ETOT(band)= -0.461719 trlgG= -0.587850 logG= -0.061163 TDE= -0.339382 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.050612 logG= -0.061036 logGD-logG0= -0.010719 tlogG= -0.051257 logG= -0.061976 Density= 0.432948 ETOT(band)= -0.461951 trlgG= -0.588892 logG= -0.061976 TDE= -0.339490 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.023830 logG= -0.029016 Density= 0.215249 ETOT(band)= -0.229519 trlgG= -0.289654 logG= -0.029016 TDE= -0.168733 Density= 0.431026 ETOT(band)= -0.461340 trlgG= -0.586326 logG= -0.061036 TDE= -0.339062 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010316 tlogG= -0.050465 logG= -0.060781 Density= 0.428561 ETOT(band)= -0.462334 trlgG= -0.587309 logG= -0.060781 TDE= -0.338871 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.049465 logG= -0.059833 Density= 0.432010 ETOT(band)= -0.459506 trlgG= -0.581705 logG= -0.059833 TDE= -0.338466 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010932 tlogG= -0.051005 logG= -0.061937 Density= 0.434195 ETOT(band)= -0.461173 trlgG= -0.588183 logG= -0.061937 TDE= -0.339736 logGD-logG0= -0.010863 tlogG= -0.051324 logG= -0.062187 Density= 0.434459 ETOT(band)= -0.461450 trlgG= -0.589144 logG= -0.062187 TDE= -0.339996 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010685 tlogG= -0.050707 logG= -0.061392 Density= 0.430814 ETOT(band)= -0.461886 trlgG= -0.587163 logG= -0.061392 TDE= -0.339003 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010679 tlogG= -0.050617 logG= -0.061296 logGD-logG0= -0.010927 tlogG= -0.051108 logG= -0.062036 Density= 0.433073 ETOT(band)= -0.461784 trlgG= -0.588545 logG= -0.062036 TDE= -0.339592 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.432829 ETOT(band)= -0.460886 trlgG= -0.585881 logG= -0.061296 TDE= -0.339087 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011049 tlogG= -0.050419 logG= -0.061468 Density= 0.433472 ETOT(band)= -0.460817 trlgG= -0.586423 logG= -0.061468 TDE= -0.339248 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023575 logG= -0.028753 Density= 0.218112 ETOT(band)= -0.227314 trlgG= -0.286528 logG= -0.028753 TDE= -0.168783 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005085 tlogG= -0.023865 logG= -0.028951 Density= 0.324687 ETOT(band)= -0.343552 trlgG= -0.434229 logG= -0.028951 TDE= -0.168824 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005208 tlogG= -0.024123 logG= -0.029331 Density= 0.217877 ETOT(band)= -0.228255 trlgG= -0.288606 logG= -0.029331 TDE= -0.169107 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005893 logG= -0.007145 Density= 0.081740 ETOT(band)= -0.085247 trlgG= -0.107394 logG= -0.007145 TDE= -0.042215 logGD-logG0= -0.005096 tlogG= -0.023055 logG= -0.028151 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.218527 ETOT(band)= -0.226245 trlgG= -0.284369 logG= -0.028151 TDE= -0.168463 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005058 tlogG= -0.022913 logG= -0.027971 Density= 0.217757 ETOT(band)= -0.227090 trlgG= -0.285620 logG= -0.027971 TDE= -0.168373 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005044 tlogG= -0.023864 logG= -0.028908 Density= 0.216166 ETOT(band)= -0.229022 trlgG= -0.289263 logG= -0.028908 TDE= -0.168827 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005262 tlogG= -0.023912 logG= -0.029174 Density= 0.216213 ETOT(band)= -0.228696 trlgG= -0.288185 logG= -0.029174 TDE= -0.168746 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001624 tlogG= -0.007446 logG= -0.009071 Density= 0.041143 ETOT(band)= -0.042135 trlgG= -0.052825 logG= -0.009071 TDE= -0.055994 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010484 tlogG= -0.047731 logG= -0.058215 Density= 0.326431 ETOT(band)= -0.342167 trlgG= -0.432039 logG= -0.058215 TDE= -0.337869 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -320.565237146779 eV TrLogG= -408.134028101291 eV Ratio to renormalize= 0.994021964608 rho-rho_expected= 0.132307718853 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 162 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962344929513488 0.935451500625396 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002480 tlogG= -0.011879 logG= -0.014360 Density= 0.053574 ETOT(band)= -0.057759 trlgG= -0.072708 logG= -0.014360 TDE= -0.084860 logGD-logG0= -0.002492 tlogG= -0.011451 logG= -0.013942 Density= 0.053748 ETOT(band)= -0.057443 trlgG= -0.071963 logG= -0.013942 TDE= -0.084618 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005532 tlogG= -0.023738 logG= -0.029270 Density= 0.107250 ETOT(band)= -0.115726 trlgG= -0.145658 logG= -0.029270 TDE= -0.169461 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.024055 logG= -0.029242 logGD-logG0= -0.004793 tlogG= -0.024076 logG= -0.028869 Density= 0.106454 ETOT(band)= -0.115812 trlgG= -0.145693 logG= -0.028869 TDE= -0.169503 logGD-logG0= -0.005451 tlogG= -0.023198 logG= -0.028649 Density= 0.107080 ETOT(band)= -0.115803 trlgG= -0.146035 logG= -0.029242 TDE= -0.169781 Density= 0.108164 ETOT(band)= -0.115006 trlgG= -0.144793 logG= -0.028649 TDE= -0.169670 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.023676 logG= -0.028693 Density= 0.107010 ETOT(band)= -0.115547 trlgG= -0.145360 logG= -0.028693 TDE= -0.169620 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005400 tlogG= -0.022907 logG= -0.028306 Density= 0.107635 ETOT(band)= -0.115051 trlgG= -0.144216 logG= -0.028306 TDE= -0.169173 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002573 tlogG= -0.012076 logG= -0.014650 Density= 0.053592 ETOT(band)= -0.057903 trlgG= -0.073068 logG= -0.014650 TDE= -0.084939 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002748 tlogG= -0.011965 logG= -0.014713 Density= 0.054108 ETOT(band)= -0.057703 trlgG= -0.073010 logG= -0.014713 TDE= -0.085073 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002816 tlogG= -0.011962 logG= -0.014777 Density= 0.053965 ETOT(band)= -0.057809 trlgG= -0.073109 logG= -0.014777 TDE= -0.085036 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005494 tlogG= -0.023576 logG= -0.029069 Density= 0.108160 ETOT(band)= -0.115233 trlgG= -0.145452 logG= -0.029069 TDE= -0.169906 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005500 tlogG= -0.023835 logG= -0.029335 Density= 0.108195 ETOT(band)= -0.115364 trlgG= -0.145875 logG= -0.029335 TDE= -0.170080 logGD-logG0= -0.005648 tlogG= -0.023819 logG= -0.029467 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107885 ETOT(band)= -0.115583 trlgG= -0.146071 logG= -0.029467 TDE= -0.169990 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009621 tlogG= -0.047686 logG= -0.057307 Density= 0.213058 ETOT(band)= -0.231374 trlgG= -0.290693 logG= -0.057307 TDE= -0.338817 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000211 tlogG= -0.000854 logG= -0.001065 Density= 0.004540 ETOT(band)= -0.004686 trlgG= -0.005814 logG= -0.001065 TDE= -0.006996 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.010463 tlogG= -0.045685 logG= -0.056148 logGD-logG0= -0.001344 tlogG= -0.005746 logG= -0.007090 Density= 0.215198 ETOT(band)= -0.229884 trlgG= -0.287871 logG= -0.056148 TDE= -0.338213 Density= 0.080641 ETOT(band)= -0.086459 trlgG= -0.108794 logG= -0.007090 TDE= -0.042390 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001321 tlogG= -0.005621 logG= -0.006942 Density= 0.080844 ETOT(band)= -0.086046 trlgG= -0.107815 logG= -0.006942 TDE= -0.042318 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001494 tlogG= -0.008046 logG= -0.009540 Density= 0.035339 ETOT(band)= -0.038620 trlgG= -0.048588 logG= -0.009540 TDE= -0.056535 logGD-logG0= -0.004585 tlogG= -0.024062 logG= -0.028648 Density= 0.106193 ETOT(band)= -0.115807 trlgG= -0.145651 logG= -0.028648 TDE= -0.169553 logGD-logG0= -0.002752 tlogG= -0.012034 logG= -0.014787 Density= 0.053760 ETOT(band)= -0.057906 trlgG= -0.073098 logG= -0.014787 TDE= -0.084915 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.023016 logG= -0.028005 Density= 0.106932 ETOT(band)= -0.115190 trlgG= -0.144082 logG= -0.028005 TDE= -0.168993 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007815 logG= -0.009395 Density= 0.035517 ETOT(band)= -0.038482 trlgG= -0.048236 logG= -0.009395 TDE= -0.056417 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023947 logG= -0.029323 Density= 0.214383 ETOT(band)= -0.231536 trlgG= -0.291614 logG= -0.029323 TDE= -0.169647 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.022430 logG= -0.027748 Density= 0.107662 ETOT(band)= -0.114719 trlgG= -0.143340 logG= -0.027748 TDE= -0.168869 logGD-logG0= -0.002579 tlogG= -0.010443 logG= -0.013021 Density= 0.054356 ETOT(band)= -0.056497 trlgG= -0.070217 logG= -0.013021 TDE= -0.084094 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005515 tlogG= -0.023910 logG= -0.029425 Density= 0.108174 ETOT(band)= -0.115425 trlgG= -0.146018 logG= -0.029425 TDE= -0.170123 logGD-logG0= -0.005374 tlogG= -0.022460 logG= -0.027833 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108192 ETOT(band)= -0.114536 trlgG= -0.143505 logG= -0.027833 TDE= -0.169211 logGD-logG0= -0.005522 tlogG= -0.023728 logG= -0.029250 Density= 0.108132 ETOT(band)= -0.115347 trlgG= -0.145737 logG= -0.029250 TDE= -0.169997 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.023994 logG= -0.029037 Density= 0.214169 ETOT(band)= -0.231509 trlgG= -0.291890 logG= -0.029037 TDE= -0.169812 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005563 tlogG= -0.023384 logG= -0.028947 Density= 0.216145 ETOT(band)= -0.230255 trlgG= -0.290044 logG= -0.028947 TDE= -0.169738 logGD-logG0= -0.005506 tlogG= -0.023404 logG= -0.028910 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005451 tlogG= -0.022970 logG= -0.028421 Density= 0.108098 ETOT(band)= -0.115179 trlgG= -0.145201 logG= -0.028910 TDE= -0.169784 Density= 0.108116 ETOT(band)= -0.114906 trlgG= -0.144435 logG= -0.028421 TDE= -0.169515 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023694 logG= -0.028827 logGD-logG0= -0.004821 tlogG= -0.024004 logG= -0.028825 Density= 0.107393 ETOT(band)= -0.115457 trlgG= -0.145310 logG= -0.028827 TDE= -0.169627 Density= 0.212938 ETOT(band)= -0.231598 trlgG= -0.291298 logG= -0.028825 TDE= -0.169473 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005566 tlogG= -0.024089 logG= -0.029655 logGD-logG0= -0.004613 tlogG= -0.023987 logG= -0.028600 Density= 0.107628 ETOT(band)= -0.115820 trlgG= -0.146347 logG= -0.029655 TDE= -0.169952 logGD-logG0= -0.004960 tlogG= -0.023368 logG= -0.028328 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214248 ETOT(band)= -0.230807 trlgG= -0.290121 logG= -0.028328 TDE= -0.169500 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106244 ETOT(band)= -0.115768 trlgG= -0.145543 logG= -0.028600 TDE= -0.169518 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005590 tlogG= -0.023935 logG= -0.029525 Density= 0.107731 ETOT(band)= -0.115697 trlgG= -0.146149 logG= -0.029525 TDE= -0.169935 logGD-logG0= -0.005529 tlogG= -0.023970 logG= -0.029499 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107445 ETOT(band)= -0.115794 trlgG= -0.146064 logG= -0.029499 TDE= -0.169734 logGD-logG0= -0.005654 tlogG= -0.024107 logG= -0.029762 Density= 0.107783 ETOT(band)= -0.115826 trlgG= -0.146546 logG= -0.029762 TDE= -0.170121 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005662 tlogG= -0.024027 logG= -0.029689 logGD-logG0= -0.005229 tlogG= -0.023707 logG= -0.028936 Density= 0.107855 ETOT(band)= -0.115748 trlgG= -0.146436 logG= -0.029689 TDE= -0.170119 Density= 0.107019 ETOT(band)= -0.115634 trlgG= -0.145179 logG= -0.028936 TDE= -0.169202 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001792 tlogG= -0.007315 logG= -0.009107 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023707 logG= -0.028637 Density= 0.106655 ETOT(band)= -0.115636 trlgG= -0.145223 logG= -0.028637 TDE= -0.169365 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035856 ETOT(band)= -0.038159 trlgG= -0.047546 logG= -0.009107 TDE= -0.056182 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.023228 logG= -0.028128 logGD-logG0= -0.005170 tlogG= -0.022870 logG= -0.028040 Density= 0.106802 ETOT(band)= -0.115311 trlgG= -0.144377 logG= -0.028128 TDE= -0.169100 Density= 0.107759 ETOT(band)= -0.114856 trlgG= -0.143874 logG= -0.028040 TDE= -0.169159 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005373 tlogG= -0.022731 logG= -0.028105 Density= 0.108229 ETOT(band)= -0.114677 trlgG= -0.143940 logG= -0.028105 TDE= -0.169393 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005402 tlogG= -0.023263 logG= -0.028665 Density= 0.214920 ETOT(band)= -0.230439 trlgG= -0.288967 logG= -0.028665 TDE= -0.169175 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.023537 logG= -0.028528 Density= 0.106832 ETOT(band)= -0.115502 trlgG= -0.144876 logG= -0.028528 TDE= -0.169214 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023955 logG= -0.029082 Density= 0.106801 ETOT(band)= -0.115800 trlgG= -0.145753 logG= -0.029082 TDE= -0.169522 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.022854 logG= -0.027912 Density= 0.107333 ETOT(band)= -0.114968 trlgG= -0.143963 logG= -0.027912 TDE= -0.169165 logGD-logG0= -0.005291 tlogG= -0.024095 logG= -0.029386 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107384 ETOT(band)= -0.115765 trlgG= -0.146048 logG= -0.029386 TDE= -0.169801 logGD-logG0= -0.005574 tlogG= -0.023242 logG= -0.028817 Density= 0.107685 ETOT(band)= -0.115306 trlgG= -0.145019 logG= -0.028817 TDE= -0.169490 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005638 tlogG= -0.024002 logG= -0.029640 Density= 0.107911 ETOT(band)= -0.115688 trlgG= -0.146359 logG= -0.029640 TDE= -0.170119 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005678 tlogG= -0.023534 logG= -0.029212 Density= 0.107784 ETOT(band)= -0.115478 trlgG= -0.145650 logG= -0.029212 TDE= -0.169775 logGD-logG0= -0.010392 tlogG= -0.048227 logG= -0.058619 logGD-logG0= -0.010039 tlogG= -0.047437 logG= -0.057476 Density= 0.214362 ETOT(band)= -0.231009 trlgG= -0.290735 logG= -0.057476 TDE= -0.339336 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214432 ETOT(band)= -0.231585 trlgG= -0.292175 logG= -0.058619 TDE= -0.339667 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.047140 logG= -0.057402 Density= 0.213854 ETOT(band)= -0.231138 trlgG= -0.290557 logG= -0.057402 TDE= -0.338981 logGD-logG0= -0.011053 tlogG= -0.048098 logG= -0.059151 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010537 tlogG= -0.047876 logG= -0.058413 Density= 0.214030 ETOT(band)= -0.231592 trlgG= -0.291822 logG= -0.058413 TDE= -0.339323 logGD-logG0= -0.010288 tlogG= -0.047266 logG= -0.057554 logGD-logG0= -0.010374 tlogG= -0.045594 logG= -0.055968 Density= 0.214454 ETOT(band)= -0.230102 trlgG= -0.287985 logG= -0.055968 TDE= -0.338139 Density= 0.215058 ETOT(band)= -0.231616 trlgG= -0.292402 logG= -0.059151 TDE= -0.339673 Density= 0.213873 ETOT(band)= -0.231181 trlgG= -0.290355 logG= -0.057554 TDE= -0.338636 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.048030 logG= -0.058035 logGD-logG0= -0.010101 tlogG= -0.045778 logG= -0.055879 Density= 0.213379 ETOT(band)= -0.231604 trlgG= -0.291286 logG= -0.058035 TDE= -0.338842 Density= 0.215067 ETOT(band)= -0.229800 trlgG= -0.287863 logG= -0.055879 TDE= -0.338410 logGD-logG0= -0.011099 tlogG= -0.047757 logG= -0.058856 Density= 0.214771 ETOT(band)= -0.231540 trlgG= -0.291871 logG= -0.058856 TDE= -0.339295 logGD-logG0= -0.011120 tlogG= -0.048045 logG= -0.059164 Density= 0.215093 ETOT(band)= -0.231608 trlgG= -0.292427 logG= -0.059164 TDE= -0.339701 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011339 tlogG= -0.047429 logG= -0.058768 Density= 0.215653 ETOT(band)= -0.231122 trlgG= -0.291861 logG= -0.058768 TDE= -0.339809 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010886 tlogG= -0.048012 logG= -0.058898 Density= 0.215064 ETOT(band)= -0.231470 trlgG= -0.291989 logG= -0.058898 TDE= -0.339515 logGD-logG0= -0.010835 tlogG= -0.047465 logG= -0.058301 logGD-logG0= -0.010650 tlogG= -0.048028 logG= -0.058678 Density= 0.214318 ETOT(band)= -0.231397 trlgG= -0.291079 logG= -0.058301 TDE= -0.338834 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214558 ETOT(band)= -0.231542 trlgG= -0.291949 logG= -0.058678 TDE= -0.339445 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.021021 logG= -0.026193 logGD-logG0= -0.010957 tlogG= -0.047800 logG= -0.058756 logGD-logG0= -0.011122 tlogG= -0.047495 logG= -0.058617 Density= 0.215440 ETOT(band)= -0.231141 trlgG= -0.291595 logG= -0.058617 TDE= -0.339588 Density= 0.214677 ETOT(band)= -0.231524 trlgG= -0.291733 logG= -0.058756 TDE= -0.339209 Density= 0.108670 ETOT(band)= -0.113136 trlgG= -0.140705 logG= -0.026193 TDE= -0.168287 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011325 tlogG= -0.047779 logG= -0.059104 Density= 0.215709 ETOT(band)= -0.231311 trlgG= -0.292414 logG= -0.059104 TDE= -0.340053 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047790 logG= -0.058412 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001741 tlogG= -0.007001 logG= -0.008742 Density= 0.036186 ETOT(band)= -0.037738 trlgG= -0.046923 logG= -0.008742 TDE= -0.056088 Density= 0.214017 ETOT(band)= -0.231577 trlgG= -0.291577 logG= -0.058412 TDE= -0.339071 logGD-logG0= -0.011275 tlogG= -0.047835 logG= -0.059110 logGD-logG0= -0.011214 tlogG= -0.048198 logG= -0.059412 Density= 0.215828 ETOT(band)= -0.231253 trlgG= -0.292433 logG= -0.059110 TDE= -0.340126 Density= 0.215384 ETOT(band)= -0.231653 trlgG= -0.292881 logG= -0.059412 TDE= -0.340052 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011160 tlogG= -0.046963 logG= -0.058122 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010381 tlogG= -0.047229 logG= -0.057610 Density= 0.214528 ETOT(band)= -0.230982 trlgG= -0.290530 logG= -0.057610 TDE= -0.339079 Density= 0.215418 ETOT(band)= -0.230864 trlgG= -0.290809 logG= -0.058122 TDE= -0.339286 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010664 tlogG= -0.047194 logG= -0.057858 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215160 ETOT(band)= -0.230849 trlgG= -0.290396 logG= -0.057858 TDE= -0.339010 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010748 tlogG= -0.046468 logG= -0.057215 Density= 0.215239 ETOT(band)= -0.230453 trlgG= -0.289370 logG= -0.057215 TDE= -0.338666 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002629 tlogG= -0.010853 logG= -0.013482 Density= 0.054062 ETOT(band)= -0.056988 trlgG= -0.071025 logG= -0.013482 TDE= -0.084296 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005331 tlogG= -0.021890 logG= -0.027221 Density= 0.108305 ETOT(band)= -0.114056 trlgG= -0.142486 logG= -0.027221 TDE= -0.168859 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005247 tlogG= -0.021588 logG= -0.026834 Density= 0.108485 ETOT(band)= -0.113705 trlgG= -0.141831 logG= -0.026834 TDE= -0.168680 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005327 tlogG= -0.022186 logG= -0.027514 Density= 0.108329 ETOT(band)= -0.114230 trlgG= -0.142969 logG= -0.027514 TDE= -0.169063 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010666 tlogG= -0.043447 logG= -0.054113 Density= 0.216272 ETOT(band)= -0.228066 trlgG= -0.284424 logG= -0.054113 TDE= -0.337333 logGD-logG0= -0.005340 tlogG= -0.021715 logG= -0.027055 Density= 0.107944 ETOT(band)= -0.114122 trlgG= -0.142206 logG= -0.027055 TDE= -0.168568 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005393 tlogG= -0.021838 logG= -0.027231 Density= 0.107810 ETOT(band)= -0.114304 trlgG= -0.142499 logG= -0.027231 TDE= -0.168618 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001362 tlogG= -0.005850 logG= -0.007212 Density= 0.080646 ETOT(band)= -0.086675 trlgG= -0.109345 logG= -0.007212 TDE= -0.042452 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001369 tlogG= -0.005975 logG= -0.007344 Density= 0.081028 ETOT(band)= -0.086649 trlgG= -0.109594 logG= -0.007344 TDE= -0.042533 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005721 tlogG= -0.023851 logG= -0.029572 logGD-logG0= -0.005567 tlogG= -0.023722 logG= -0.029289 Density= 0.216198 ETOT(band)= -0.230645 trlgG= -0.291248 logG= -0.029289 TDE= -0.169969 Density= 0.215597 ETOT(band)= -0.231308 trlgG= -0.292294 logG= -0.029572 TDE= -0.169952 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005553 tlogG= -0.023913 logG= -0.029465 Density= 0.216288 ETOT(band)= -0.230852 trlgG= -0.291957 logG= -0.029465 TDE= -0.170107 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.048143 logG= -0.057598 Density= 0.425806 ETOT(band)= -0.462993 trlgG= -0.582054 logG= -0.057598 TDE= -0.339041 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.046412 logG= -0.056935 Density= 0.429655 ETOT(band)= -0.460513 trlgG= -0.577216 logG= -0.056935 TDE= -0.338535 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.021326 logG= -0.026576 Density= 0.162594 ETOT(band)= -0.171223 trlgG= -0.214397 logG= -0.026576 TDE= -0.168495 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004558 tlogG= -0.024142 logG= -0.028699 Density= 0.212325 ETOT(band)= -0.231659 trlgG= -0.291421 logG= -0.028699 TDE= -0.169590 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001369 tlogG= -0.005931 logG= -0.007300 Density= 0.080816 ETOT(band)= -0.086725 trlgG= -0.109515 logG= -0.007300 TDE= -0.042504 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.022952 logG= -0.028177 Density= 0.214872 ETOT(band)= -0.229881 trlgG= -0.287501 logG= -0.028177 TDE= -0.169037 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005596 tlogG= -0.023950 logG= -0.029546 logGD-logG0= -0.005525 tlogG= -0.023526 logG= -0.029051 Density= 0.215630 ETOT(band)= -0.231403 trlgG= -0.292556 logG= -0.029546 TDE= -0.170108 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215215 ETOT(band)= -0.230840 trlgG= -0.290713 logG= -0.029051 TDE= -0.169707 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001522 tlogG= -0.007968 logG= -0.009490 Density= 0.070917 ETOT(band)= -0.077057 trlgG= -0.096707 logG= -0.009490 TDE= -0.056499 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005560 tlogG= -0.023953 logG= -0.029514 Density= 0.216254 ETOT(band)= -0.230952 trlgG= -0.292180 logG= -0.029514 TDE= -0.170131 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005624 tlogG= -0.023752 logG= -0.029376 Density= 0.215308 ETOT(band)= -0.231282 trlgG= -0.291976 logG= -0.029376 TDE= -0.169958 logGD-logG0= -0.001291 tlogG= -0.005315 logG= -0.006606 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081526 ETOT(band)= -0.084824 trlgG= -0.105494 logG= -0.006606 TDE= -0.042116 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005361 tlogG= -0.023862 logG= -0.029223 Density= 0.215459 ETOT(band)= -0.231289 trlgG= -0.292011 logG= -0.029223 TDE= -0.169649 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.023369 logG= -0.028359 logGD-logG0= -0.005673 tlogG= -0.024071 logG= -0.029744 Density= 0.321711 ETOT(band)= -0.346236 trlgG= -0.435469 logG= -0.028359 TDE= -0.169497 Density= 0.215658 ETOT(band)= -0.231554 trlgG= -0.292956 logG= -0.029744 TDE= -0.170123 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.023998 logG= -0.029071 Density= 0.321616 ETOT(band)= -0.347269 trlgG= -0.438018 logG= -0.029071 TDE= -0.169813 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005181 logG= -0.006455 logGD-logG0= -0.005317 tlogG= -0.024150 logG= -0.029467 Density= 0.214751 ETOT(band)= -0.231637 trlgG= -0.292258 logG= -0.029467 TDE= -0.169828 logGD-logG0= -0.011252 tlogG= -0.048084 logG= -0.059336 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323184 ETOT(band)= -0.347273 trlgG= -0.438915 logG= -0.059336 TDE= -0.340047 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024160 logG= -0.029499 Density= 0.322432 ETOT(band)= -0.347450 trlgG= -0.438596 logG= -0.029499 TDE= -0.169829 logGD-logG0= -0.001699 tlogG= -0.006887 logG= -0.008586 Density= 0.040827 ETOT(band)= -0.042249 trlgG= -0.052450 logG= -0.008586 TDE= -0.056007 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011145 tlogG= -0.047697 logG= -0.058842 Density= 0.324221 ETOT(band)= -0.346317 trlgG= -0.437752 logG= -0.058842 TDE= -0.340105 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062553 ETOT(band)= -0.066806 trlgG= -0.083593 logG= -0.006455 TDE= -0.042017 logGD-logG0= -0.011065 tlogG= -0.046442 logG= -0.057508 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005139 tlogG= -0.023943 logG= -0.029082 Density= 0.323952 ETOT(band)= -0.345257 trlgG= -0.434322 logG= -0.057508 TDE= -0.339186 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213875 ETOT(band)= -0.231408 trlgG= -0.290752 logG= -0.029082 TDE= -0.169369 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010743 tlogG= -0.045712 logG= -0.056455 logGD-logG0= -0.005087 tlogG= -0.023237 logG= -0.028324 Density= 0.213606 ETOT(band)= -0.230999 trlgG= -0.289950 logG= -0.028324 TDE= -0.169328 Density= 0.324035 ETOT(band)= -0.344308 trlgG= -0.431742 logG= -0.056455 TDE= -0.338591 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011175 tlogG= -0.047158 logG= -0.058333 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324042 ETOT(band)= -0.345931 trlgG= -0.436397 logG= -0.058333 TDE= -0.339722 logGD-logG0= -0.004849 tlogG= -0.023922 logG= -0.028771 Density= 0.213405 ETOT(band)= -0.231225 trlgG= -0.290335 logG= -0.028771 TDE= -0.169425 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005527 tlogG= -0.024105 logG= -0.029632 Density= 0.323009 ETOT(band)= -0.347461 trlgG= -0.439188 logG= -0.029632 TDE= -0.169933 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.023605 logG= -0.028360 Density= 0.212765 ETOT(band)= -0.231314 trlgG= -0.290510 logG= -0.028360 TDE= -0.169320 logGD-logG0= -0.005514 tlogG= -0.022959 logG= -0.028473 Density= 0.216198 ETOT(band)= -0.229677 trlgG= -0.288448 logG= -0.028473 TDE= -0.169464 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004698 tlogG= -0.023755 logG= -0.028453 Density= 0.213227 ETOT(band)= -0.230941 trlgG= -0.289566 logG= -0.028453 TDE= -0.169401 logGD-logG0= -0.001669 tlogG= -0.007598 logG= -0.009268 Density= 0.071533 ETOT(band)= -0.076498 trlgG= -0.095439 logG= -0.009268 TDE= -0.056280 logGD-logG0= -0.005316 tlogG= -0.023274 logG= -0.028590 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321772 ETOT(band)= -0.346743 trlgG= -0.436250 logG= -0.028590 TDE= -0.169405 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005135 tlogG= -0.023820 logG= -0.028955 Density= 0.213659 ETOT(band)= -0.231531 trlgG= -0.291452 logG= -0.028955 TDE= -0.169622 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005757 tlogG= -0.023647 logG= -0.029404 Density= 0.215385 ETOT(band)= -0.231142 trlgG= -0.291583 logG= -0.029404 TDE= -0.169776 logGD-logG0= -0.005265 tlogG= -0.022300 logG= -0.027565 Density= 0.214362 ETOT(band)= -0.229885 trlgG= -0.287254 logG= -0.027565 TDE= -0.168767 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005662 tlogG= -0.023430 logG= -0.029093 Density= 0.215123 ETOT(band)= -0.230860 trlgG= -0.290432 logG= -0.029093 TDE= -0.169486 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005707 tlogG= -0.023909 logG= -0.029615 Density= 0.323570 ETOT(band)= -0.346994 trlgG= -0.438732 logG= -0.029615 TDE= -0.170000 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010281 tlogG= -0.046626 logG= -0.056907 logGD-logG0= -0.011209 tlogG= -0.047782 logG= -0.058991 Density= 0.430699 ETOT(band)= -0.462571 trlgG= -0.583764 logG= -0.058991 TDE= -0.339700 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322756 ETOT(band)= -0.345271 trlgG= -0.433217 logG= -0.056907 TDE= -0.338828 logGD-logG0= -0.010241 tlogG= -0.047818 logG= -0.058059 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428156 ETOT(band)= -0.462986 trlgG= -0.583353 logG= -0.058059 TDE= -0.339431 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.047794 logG= -0.058495 logGD-logG0= -0.010736 tlogG= -0.048139 logG= -0.058875 Density= 0.429338 ETOT(band)= -0.463194 trlgG= -0.584066 logG= -0.058875 TDE= -0.339499 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010854 tlogG= -0.048235 logG= -0.059089 Density= 0.428408 ETOT(band)= -0.462990 trlgG= -0.582703 logG= -0.058495 TDE= -0.339072 logGD-logG0= -0.011421 tlogG= -0.047643 logG= -0.059063 Density= 0.430018 ETOT(band)= -0.463247 trlgG= -0.584721 logG= -0.059089 TDE= -0.339562 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431013 ETOT(band)= -0.462548 trlgG= -0.584164 logG= -0.059063 TDE= -0.339811 logGD-logG0= -0.010112 tlogG= -0.046604 logG= -0.056717 logGD-logG0= -0.009961 tlogG= -0.046782 logG= -0.056744 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428102 ETOT(band)= -0.460966 trlgG= -0.577391 logG= -0.056744 TDE= -0.338385 Density= 0.428255 ETOT(band)= -0.461699 trlgG= -0.579998 logG= -0.056717 TDE= -0.338821 logGD-logG0= -0.010407 tlogG= -0.047857 logG= -0.058263 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429190 ETOT(band)= -0.462843 trlgG= -0.583453 logG= -0.058263 TDE= -0.339452 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011050 tlogG= -0.048101 logG= -0.059152 Density= 0.430122 ETOT(band)= -0.463086 trlgG= -0.584387 logG= -0.059152 TDE= -0.339668 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010064 tlogG= -0.047869 logG= -0.057934 Density= 0.427376 ETOT(band)= -0.462687 trlgG= -0.581387 logG= -0.057934 TDE= -0.338750 logGD-logG0= -0.010894 tlogG= -0.047958 logG= -0.058852 Density= 0.429250 ETOT(band)= -0.463145 trlgG= -0.583715 logG= -0.058852 TDE= -0.339312 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010105 tlogG= -0.047757 logG= -0.057863 Density= 0.426878 ETOT(band)= -0.463098 trlgG= -0.582439 logG= -0.057863 TDE= -0.338940 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011272 tlogG= -0.047318 logG= -0.058590 logGD-logG0= -0.011371 tlogG= -0.047940 logG= -0.059311 Density= 0.431225 ETOT(band)= -0.462838 trlgG= -0.585148 logG= -0.059311 TDE= -0.340071 logGD-logG0= -0.010586 tlogG= -0.047550 logG= -0.058136 Density= 0.430470 ETOT(band)= -0.462133 trlgG= -0.582304 logG= -0.058590 TDE= -0.339324 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428719 ETOT(band)= -0.462361 trlgG= -0.581805 logG= -0.058136 TDE= -0.339131 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010812 tlogG= -0.047597 logG= -0.058410 Density= 0.430033 ETOT(band)= -0.462110 trlgG= -0.581633 logG= -0.058410 TDE= -0.339157 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010885 tlogG= -0.046962 logG= -0.057848 Density= 0.429946 ETOT(band)= -0.461456 trlgG= -0.579697 logG= -0.057848 TDE= -0.338727 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.022347 logG= -0.027500 Density= 0.322930 ETOT(band)= -0.344257 trlgG= -0.430846 logG= -0.027500 TDE= -0.168859 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005333 tlogG= -0.021369 logG= -0.026702 Density= 0.216970 ETOT(band)= -0.226838 trlgG= -0.282316 logG= -0.026702 TDE= -0.168501 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005412 tlogG= -0.022475 logG= -0.027888 Density= 0.216343 ETOT(band)= -0.228875 trlgG= -0.286552 logG= -0.027888 TDE= -0.169146 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001309 tlogG= -0.005473 logG= -0.006783 Density= 0.081190 ETOT(band)= -0.085461 trlgG= -0.106608 logG= -0.006783 TDE= -0.042225 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001808 tlogG= -0.007121 logG= -0.008929 Density= 0.072222 ETOT(band)= -0.075691 trlgG= -0.094176 logG= -0.008929 TDE= -0.056157 logGD-logG0= -0.005116 tlogG= -0.022341 logG= -0.027457 Density= 0.215081 ETOT(band)= -0.229455 trlgG= -0.286962 logG= -0.027457 TDE= -0.168862 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005411 tlogG= -0.021896 logG= -0.027307 Density= 0.216596 ETOT(band)= -0.227911 trlgG= -0.284460 logG= -0.027307 TDE= -0.168821 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010632 tlogG= -0.044691 logG= -0.055322 Density= 0.324256 ETOT(band)= -0.343044 trlgG= -0.428890 logG= -0.055322 TDE= -0.337946 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005294 tlogG= -0.021228 logG= -0.026522 Density= 0.216341 ETOT(band)= -0.227644 trlgG= -0.283499 logG= -0.026522 TDE= -0.168412 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010449 tlogG= -0.044655 logG= -0.055105 Density= 0.431648 ETOT(band)= -0.457204 trlgG= -0.570583 logG= -0.055105 TDE= -0.337633 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005211 tlogG= -0.022512 logG= -0.027723 Density= 0.215095 ETOT(band)= -0.229158 trlgG= -0.285912 logG= -0.027723 TDE= -0.168780 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.325292680610 eV TrLogG= -404.203671528669 eV Ratio to renormalize= 0.999940754612 rho-rho_expected= 0.001303475764 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962265667219685 0.935581696247726 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000211 tlogG= -0.000853 logG= -0.001064 Density= 0.004540 ETOT(band)= -0.004685 trlgG= -0.005812 logG= -0.001064 TDE= -0.006995 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002751 tlogG= -0.012023 logG= -0.014774 logGD-logG0= -0.002480 tlogG= -0.011868 logG= -0.014347 Density= 0.053759 ETOT(band)= -0.057893 trlgG= -0.073072 logG= -0.014774 TDE= -0.084901 Density= 0.053573 ETOT(band)= -0.057746 trlgG= -0.072684 logG= -0.014347 TDE= -0.084847 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002573 tlogG= -0.012065 logG= -0.014637 Density= 0.053591 ETOT(band)= -0.057890 trlgG= -0.073044 logG= -0.014637 TDE= -0.084926 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002491 tlogG= -0.011439 logG= -0.013930 Density= 0.053748 ETOT(band)= -0.057429 trlgG= -0.071938 logG= -0.013930 TDE= -0.084606 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007809 logG= -0.009387 Density= 0.035516 ETOT(band)= -0.038474 trlgG= -0.048222 logG= -0.009387 TDE= -0.056410 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001493 tlogG= -0.008039 logG= -0.009532 Density= 0.035338 ETOT(band)= -0.038612 trlgG= -0.048573 logG= -0.009532 TDE= -0.056529 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002748 tlogG= -0.011952 logG= -0.014700 Density= 0.054109 ETOT(band)= -0.057688 trlgG= -0.072983 logG= -0.014700 TDE= -0.085059 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.022433 logG= -0.027808 logGD-logG0= -0.005515 tlogG= -0.023884 logG= -0.029399 Density= 0.108192 ETOT(band)= -0.114508 trlgG= -0.143452 logG= -0.027808 TDE= -0.169183 Density= 0.108175 ETOT(band)= -0.115397 trlgG= -0.145964 logG= -0.029399 TDE= -0.170095 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005522 tlogG= -0.023702 logG= -0.029224 logGD-logG0= -0.005290 tlogG= -0.024072 logG= -0.029362 Density= 0.108132 ETOT(band)= -0.115318 trlgG= -0.145683 logG= -0.029224 TDE= -0.169969 Density= 0.107383 ETOT(band)= -0.115738 trlgG= -0.145999 logG= -0.029362 TDE= -0.169776 logGD-logG0= -0.005565 tlogG= -0.024065 logG= -0.029630 Density= 0.107627 ETOT(band)= -0.115793 trlgG= -0.146295 logG= -0.029630 TDE= -0.169924 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005452 tlogG= -0.022943 logG= -0.028396 Density= 0.108115 ETOT(band)= -0.114878 trlgG= -0.144381 logG= -0.028396 TDE= -0.169487 logGD-logG0= -0.004610 tlogG= -0.023967 logG= -0.028576 Density= 0.106241 ETOT(band)= -0.115744 trlgG= -0.145500 logG= -0.028576 TDE= -0.169497 logGD-logG0= -0.004790 tlogG= -0.024055 logG= -0.028845 Density= 0.106451 ETOT(band)= -0.115788 trlgG= -0.145649 logG= -0.028845 TDE= -0.169482 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004582 tlogG= -0.024042 logG= -0.028624 Density= 0.106190 ETOT(band)= -0.115783 trlgG= -0.145608 logG= -0.028624 TDE= -0.169533 logGD-logG0= -0.005507 tlogG= -0.023378 logG= -0.028884 logGD-logG0= -0.002816 tlogG= -0.011949 logG= -0.014765 Density= 0.108098 ETOT(band)= -0.115151 trlgG= -0.145148 logG= -0.028884 TDE= -0.169756 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053965 ETOT(band)= -0.057795 trlgG= -0.073082 logG= -0.014765 TDE= -0.085022 logGD-logG0= -0.005589 tlogG= -0.023911 logG= -0.029500 logGD-logG0= -0.005226 tlogG= -0.023686 logG= -0.028911 Density= 0.107018 ETOT(band)= -0.115609 trlgG= -0.145133 logG= -0.028911 TDE= -0.169180 Density= 0.107731 ETOT(band)= -0.115669 trlgG= -0.146096 logG= -0.029500 TDE= -0.169907 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005529 tlogG= -0.023716 logG= -0.029245 Density= 0.107249 ETOT(band)= -0.115699 trlgG= -0.145607 logG= -0.029245 TDE= -0.169434 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023671 logG= -0.028802 logGD-logG0= -0.004896 tlogG= -0.023207 logG= -0.028103 Density= 0.107392 ETOT(band)= -0.115431 trlgG= -0.145261 logG= -0.028802 TDE= -0.169602 Density= 0.106799 ETOT(band)= -0.115286 trlgG= -0.144333 logG= -0.028103 TDE= -0.169079 logGD-logG0= -0.005500 tlogG= -0.023809 logG= -0.029309 Density= 0.108196 ETOT(band)= -0.115335 trlgG= -0.145821 logG= -0.029309 TDE= -0.170052 logGD-logG0= -0.004927 tlogG= -0.023686 logG= -0.028613 logGD-logG0= -0.005528 tlogG= -0.023946 logG= -0.029474 Density= 0.107444 ETOT(band)= -0.115767 trlgG= -0.146012 logG= -0.029474 TDE= -0.169707 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106653 ETOT(band)= -0.115612 trlgG= -0.145176 logG= -0.028613 TDE= -0.169341 logGD-logG0= -0.004985 tlogG= -0.022995 logG= -0.027981 Density= 0.106930 ETOT(band)= -0.115165 trlgG= -0.144035 logG= -0.027981 TDE= -0.168969 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.022705 logG= -0.028079 logGD-logG0= -0.005016 tlogG= -0.023653 logG= -0.028669 Density= 0.107009 ETOT(band)= -0.115522 trlgG= -0.145312 logG= -0.028669 TDE= -0.169596 logGD-logG0= -0.004987 tlogG= -0.023517 logG= -0.028504 Density= 0.108228 ETOT(band)= -0.114649 trlgG= -0.143887 logG= -0.028079 TDE= -0.169364 logGD-logG0= -0.005185 tlogG= -0.024032 logG= -0.029218 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005451 tlogG= -0.023172 logG= -0.028623 Density= 0.108164 ETOT(band)= -0.114978 trlgG= -0.144740 logG= -0.028623 TDE= -0.169641 Density= 0.106829 ETOT(band)= -0.115477 trlgG= -0.144831 logG= -0.028504 TDE= -0.169192 logGD-logG0= -0.005317 tlogG= -0.022406 logG= -0.027723 Density= 0.107660 ETOT(band)= -0.114692 trlgG= -0.143288 logG= -0.027723 TDE= -0.168841 logGD-logG0= -0.005494 tlogG= -0.023550 logG= -0.029044 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.022883 logG= -0.028281 Density= 0.107634 ETOT(band)= -0.115024 trlgG= -0.144164 logG= -0.028281 TDE= -0.169145 logGD-logG0= -0.005168 tlogG= -0.022846 logG= -0.028014 Density= 0.107079 ETOT(band)= -0.115777 trlgG= -0.145986 logG= -0.029218 TDE= -0.169757 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108160 ETOT(band)= -0.115205 trlgG= -0.145398 logG= -0.029044 TDE= -0.169878 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107758 ETOT(band)= -0.114829 trlgG= -0.143824 logG= -0.028014 TDE= -0.169134 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005639 tlogG= -0.023976 logG= -0.029615 Density= 0.107911 ETOT(band)= -0.115660 trlgG= -0.146306 logG= -0.029615 TDE= -0.170091 logGD-logG0= -0.005573 tlogG= -0.023218 logG= -0.028792 Density= 0.107685 ETOT(band)= -0.115279 trlgG= -0.144966 logG= -0.028792 TDE= -0.169462 logGD-logG0= -0.005056 tlogG= -0.022831 logG= -0.027887 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107331 ETOT(band)= -0.114942 trlgG= -0.143914 logG= -0.027887 TDE= -0.169140 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005648 tlogG= -0.023794 logG= -0.029442 Density= 0.107885 ETOT(band)= -0.115555 trlgG= -0.146018 logG= -0.029442 TDE= -0.169963 logGD-logG0= -0.005124 tlogG= -0.023934 logG= -0.029058 Density= 0.106800 ETOT(band)= -0.115775 trlgG= -0.145706 logG= -0.029058 TDE= -0.169497 logGD-logG0= -0.005678 tlogG= -0.023509 logG= -0.029187 Density= 0.107784 ETOT(band)= -0.115450 trlgG= -0.145597 logG= -0.029187 TDE= -0.169747 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010036 tlogG= -0.047390 logG= -0.057427 logGD-logG0= -0.010390 tlogG= -0.048180 logG= -0.058570 Density= 0.214430 ETOT(band)= -0.231533 trlgG= -0.292077 logG= -0.058570 TDE= -0.339618 Density= 0.214359 ETOT(band)= -0.230957 trlgG= -0.290638 logG= -0.057427 TDE= -0.339287 logGD-logG0= -0.010534 tlogG= -0.047830 logG= -0.058364 Density= 0.214028 ETOT(band)= -0.231541 trlgG= -0.291726 logG= -0.058364 TDE= -0.339274 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009614 tlogG= -0.047645 logG= -0.057259 Density= 0.213053 ETOT(band)= -0.231326 trlgG= -0.290605 logG= -0.057259 TDE= -0.338775 logGD-logG0= -0.010259 tlogG= -0.047094 logG= -0.057353 logGD-logG0= -0.011050 tlogG= -0.048051 logG= -0.059101 Density= 0.215057 ETOT(band)= -0.231562 trlgG= -0.292298 logG= -0.059101 TDE= -0.339618 logGD-logG0= -0.011117 tlogG= -0.047997 logG= -0.059115 Density= 0.213850 ETOT(band)= -0.231087 trlgG= -0.290461 logG= -0.057353 TDE= -0.338932 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215092 ETOT(band)= -0.231553 trlgG= -0.292322 logG= -0.059115 TDE= -0.339646 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009999 tlogG= -0.047987 logG= -0.057987 Density= 0.213375 ETOT(band)= -0.231554 trlgG= -0.291196 logG= -0.057987 TDE= -0.338798 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010281 tlogG= -0.047224 logG= -0.057505 logGD-logG0= -0.011096 tlogG= -0.047710 logG= -0.058806 Density= 0.213869 ETOT(band)= -0.231130 trlgG= -0.290259 logG= -0.057505 TDE= -0.338587 Density= 0.214770 ETOT(band)= -0.231487 trlgG= -0.291768 logG= -0.058806 TDE= -0.339240 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010098 tlogG= -0.045731 logG= -0.055829 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215063 ETOT(band)= -0.229747 trlgG= -0.287765 logG= -0.055829 TDE= -0.338360 logGD-logG0= -0.010884 tlogG= -0.047964 logG= -0.058848 Density= 0.215063 ETOT(band)= -0.231416 trlgG= -0.291885 logG= -0.058848 TDE= -0.339461 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002628 tlogG= -0.010841 logG= -0.013469 Density= 0.054061 ETOT(band)= -0.056974 trlgG= -0.070998 logG= -0.013469 TDE= -0.084281 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010830 tlogG= -0.047421 logG= -0.058251 logGD-logG0= -0.010647 tlogG= -0.047982 logG= -0.058629 logGD-logG0= -0.011340 tlogG= -0.047378 logG= -0.058717 Density= 0.215653 ETOT(band)= -0.231067 trlgG= -0.291755 logG= -0.058717 TDE= -0.339753 logGD-logG0= -0.010954 tlogG= -0.047752 logG= -0.058707 Density= 0.214676 ETOT(band)= -0.231471 trlgG= -0.291633 logG= -0.058707 TDE= -0.339159 Density= 0.214557 ETOT(band)= -0.231489 trlgG= -0.291851 logG= -0.058629 TDE= -0.339395 Density= 0.214315 ETOT(band)= -0.231345 trlgG= -0.290982 logG= -0.058251 TDE= -0.338784 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011275 tlogG= -0.047784 logG= -0.059059 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215828 ETOT(band)= -0.231197 trlgG= -0.292327 logG= -0.059059 TDE= -0.340071 logGD-logG0= -0.001741 tlogG= -0.006992 logG= -0.008733 Density= 0.036186 ETOT(band)= -0.037729 trlgG= -0.046905 logG= -0.008733 TDE= -0.056078 logGD-logG0= -0.011325 tlogG= -0.047728 logG= -0.059053 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215709 ETOT(band)= -0.231255 trlgG= -0.292308 logG= -0.059053 TDE= -0.339998 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010460 tlogG= -0.045638 logG= -0.056098 Density= 0.215195 ETOT(band)= -0.229831 trlgG= -0.287772 logG= -0.056098 TDE= -0.338163 logGD-logG0= -0.011120 tlogG= -0.047447 logG= -0.058567 logGD-logG0= -0.010617 tlogG= -0.047746 logG= -0.058363 Density= 0.214014 ETOT(band)= -0.231526 trlgG= -0.291481 logG= -0.058363 TDE= -0.339022 logGD-logG0= -0.002579 tlogG= -0.010429 logG= -0.013008 Density= 0.054356 ETOT(band)= -0.056483 trlgG= -0.070189 logG= -0.013008 TDE= -0.084079 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215439 ETOT(band)= -0.231086 trlgG= -0.291489 logG= -0.058567 TDE= -0.339533 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010662 tlogG= -0.047147 logG= -0.057808 Density= 0.215158 ETOT(band)= -0.230795 trlgG= -0.290295 logG= -0.057808 TDE= -0.338958 logGD-logG0= -0.011158 tlogG= -0.046914 logG= -0.058072 logGD-logG0= -0.010745 tlogG= -0.046420 logG= -0.057165 Density= 0.215237 ETOT(band)= -0.230399 trlgG= -0.289265 logG= -0.057165 TDE= -0.338610 Density= 0.215417 ETOT(band)= -0.230809 trlgG= -0.290704 logG= -0.058072 TDE= -0.339231 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010379 tlogG= -0.047182 logG= -0.057561 Density= 0.214525 ETOT(band)= -0.230929 trlgG= -0.290433 logG= -0.057561 TDE= -0.339030 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010371 tlogG= -0.045548 logG= -0.055919 Density= 0.214450 ETOT(band)= -0.230051 trlgG= -0.287888 logG= -0.055919 TDE= -0.338090 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.021863 logG= -0.027195 Density= 0.108304 ETOT(band)= -0.114028 trlgG= -0.142432 logG= -0.027195 TDE= -0.168830 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005247 tlogG= -0.021561 logG= -0.026809 Density= 0.108484 ETOT(band)= -0.113677 trlgG= -0.141777 logG= -0.026809 TDE= -0.168651 logGD-logG0= -0.005173 tlogG= -0.020994 logG= -0.026167 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005328 tlogG= -0.022160 logG= -0.027488 logGD-logG0= -0.001790 tlogG= -0.007309 logG= -0.009099 Density= 0.108328 ETOT(band)= -0.114202 trlgG= -0.142915 logG= -0.027488 TDE= -0.169034 Density= 0.035856 ETOT(band)= -0.038150 trlgG= -0.047528 logG= -0.009099 TDE= -0.056173 Density= 0.108669 ETOT(band)= -0.113107 trlgG= -0.140650 logG= -0.026167 TDE= -0.168258 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005391 tlogG= -0.021815 logG= -0.027206 Density= 0.107809 ETOT(band)= -0.114277 trlgG= -0.142446 logG= -0.027206 TDE= -0.168590 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010662 tlogG= -0.043400 logG= -0.054062 Density= 0.216270 ETOT(band)= -0.228011 trlgG= -0.284317 logG= -0.054062 TDE= -0.337275 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005338 tlogG= -0.021692 logG= -0.027030 Density= 0.107943 ETOT(band)= -0.114095 trlgG= -0.142153 logG= -0.027030 TDE= -0.168539 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005662 tlogG= -0.024001 logG= -0.029663 Density= 0.107855 ETOT(band)= -0.115720 trlgG= -0.146383 logG= -0.029663 TDE= -0.170092 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005653 tlogG= -0.024083 logG= -0.029736 Density= 0.107783 ETOT(band)= -0.115799 trlgG= -0.146493 logG= -0.029736 TDE= -0.170093 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011212 tlogG= -0.048150 logG= -0.059362 Density= 0.215384 ETOT(band)= -0.231598 trlgG= -0.292776 logG= -0.059362 TDE= -0.339997 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001321 tlogG= -0.005615 logG= -0.006936 Density= 0.080843 ETOT(band)= -0.086026 trlgG= -0.107777 logG= -0.006936 TDE= -0.042311 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001344 tlogG= -0.005739 logG= -0.007083 Density= 0.080640 ETOT(band)= -0.086439 trlgG= -0.108757 logG= -0.007083 TDE= -0.042383 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001362 tlogG= -0.005844 logG= -0.007205 Density= 0.080646 ETOT(band)= -0.086655 trlgG= -0.109307 logG= -0.007205 TDE= -0.042445 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001369 tlogG= -0.005925 logG= -0.007294 Density= 0.080816 ETOT(band)= -0.086704 trlgG= -0.109475 logG= -0.007294 TDE= -0.042497 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023984 logG= -0.028801 Density= 0.212933 ETOT(band)= -0.231550 trlgG= -0.291209 logG= -0.028801 TDE= -0.169451 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.023214 logG= -0.028300 Density= 0.213601 ETOT(band)= -0.230949 trlgG= -0.289856 logG= -0.028300 TDE= -0.169303 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005514 tlogG= -0.022933 logG= -0.028447 Density= 0.216196 ETOT(band)= -0.229621 trlgG= -0.288341 logG= -0.028447 TDE= -0.169435 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005564 tlogG= -0.023358 logG= -0.028922 Density= 0.216144 ETOT(band)= -0.230199 trlgG= -0.289937 logG= -0.028922 TDE= -0.169710 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005596 tlogG= -0.023925 logG= -0.029520 Density= 0.215630 ETOT(band)= -0.231347 trlgG= -0.292450 logG= -0.029520 TDE= -0.170080 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004958 tlogG= -0.023345 logG= -0.028303 Density= 0.214244 ETOT(band)= -0.230756 trlgG= -0.290024 logG= -0.028303 TDE= -0.169475 logGD-logG0= -0.001369 tlogG= -0.005968 logG= -0.007338 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081028 ETOT(band)= -0.086627 trlgG= -0.109554 logG= -0.007338 TDE= -0.042526 logGD-logG0= -0.005660 tlogG= -0.023408 logG= -0.029068 Density= 0.215121 ETOT(band)= -0.230806 trlgG= -0.290327 logG= -0.029068 TDE= -0.169458 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023924 logG= -0.029298 Density= 0.214381 ETOT(band)= -0.231483 trlgG= -0.291514 logG= -0.029298 TDE= -0.169623 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.023922 logG= -0.029058 Density= 0.213872 ETOT(band)= -0.231357 trlgG= -0.290659 logG= -0.029058 TDE= -0.169345 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001521 tlogG= -0.007961 logG= -0.009482 logGD-logG0= -0.005624 tlogG= -0.023726 logG= -0.029351 Density= 0.215307 ETOT(band)= -0.231228 trlgG= -0.291873 logG= -0.029351 TDE= -0.169930 Density= 0.070915 ETOT(band)= -0.077041 trlgG= -0.096678 logG= -0.009482 TDE= -0.056492 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005524 tlogG= -0.023502 logG= -0.029026 logGD-logG0= -0.005561 tlogG= -0.023927 logG= -0.029488 Density= 0.216255 ETOT(band)= -0.230895 trlgG= -0.292072 logG= -0.029488 TDE= -0.170103 Density= 0.215214 ETOT(band)= -0.230786 trlgG= -0.290611 logG= -0.029026 TDE= -0.169679 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023971 logG= -0.029012 logGD-logG0= -0.005360 tlogG= -0.023838 logG= -0.029198 Density= 0.214166 ETOT(band)= -0.231457 trlgG= -0.291793 logG= -0.029012 TDE= -0.169787 Density= 0.215459 ETOT(band)= -0.231234 trlgG= -0.291908 logG= -0.029198 TDE= -0.169623 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023346 logG= -0.028334 Density= 0.321706 ETOT(band)= -0.346158 trlgG= -0.435324 logG= -0.028334 TDE= -0.169473 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004554 tlogG= -0.024122 logG= -0.028676 Density= 0.212319 ETOT(band)= -0.231612 trlgG= -0.291335 logG= -0.028676 TDE= -0.169569 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023242 logG= -0.028640 Density= 0.214917 ETOT(band)= -0.230386 trlgG= -0.288865 logG= -0.028640 TDE= -0.169150 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001309 tlogG= -0.005467 logG= -0.006776 Density= 0.081189 ETOT(band)= -0.085441 trlgG= -0.106568 logG= -0.006776 TDE= -0.042218 logGD-logG0= -0.005072 tlogG= -0.023974 logG= -0.029046 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.321613 ETOT(band)= -0.347191 trlgG= -0.437872 logG= -0.029046 TDE= -0.169788 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011250 tlogG= -0.048035 logG= -0.059285 logGD-logG0= -0.005338 tlogG= -0.024136 logG= -0.029474 Density= 0.323184 ETOT(band)= -0.347191 trlgG= -0.438758 logG= -0.059285 TDE= -0.339993 logGD-logG0= -0.005553 tlogG= -0.023887 logG= -0.029440 logGD-logG0= -0.011145 tlogG= -0.047645 logG= -0.058791 Density= 0.216289 ETOT(band)= -0.230795 trlgG= -0.291850 logG= -0.029440 TDE= -0.170079 Density= 0.322431 ETOT(band)= -0.347369 trlgG= -0.438442 logG= -0.029474 TDE= -0.169804 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324221 ETOT(band)= -0.346233 trlgG= -0.437591 logG= -0.058791 TDE= -0.340049 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004751 tlogG= -0.023584 logG= -0.028335 Density= 0.212759 ETOT(band)= -0.231266 trlgG= -0.290424 logG= -0.028335 TDE= -0.169299 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010740 tlogG= -0.045664 logG= -0.056404 Density= 0.324032 ETOT(band)= -0.344226 trlgG= -0.431582 logG= -0.056404 TDE= -0.338535 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011064 tlogG= -0.046393 logG= -0.057457 Density= 0.323950 ETOT(band)= -0.345173 trlgG= -0.434162 logG= -0.057457 TDE= -0.339129 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.024127 logG= -0.029442 logGD-logG0= -0.001274 tlogG= -0.005174 logG= -0.006449 Density= 0.062552 ETOT(band)= -0.066791 trlgG= -0.083565 logG= -0.006449 TDE= -0.042010 Density= 0.214750 ETOT(band)= -0.231584 trlgG= -0.292157 logG= -0.029442 TDE= -0.169803 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004694 tlogG= -0.023735 logG= -0.028429 logGD-logG0= -0.001699 tlogG= -0.006878 logG= -0.008577 Density= 0.040827 ETOT(band)= -0.042238 trlgG= -0.052430 logG= -0.008577 TDE= -0.055997 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213221 ETOT(band)= -0.230892 trlgG= -0.289479 logG= -0.028429 TDE= -0.169380 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023901 logG= -0.028747 Density= 0.213401 ETOT(band)= -0.231175 trlgG= -0.290246 logG= -0.028747 TDE= -0.169404 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023797 logG= -0.028931 Density= 0.213655 ETOT(band)= -0.231480 trlgG= -0.291357 logG= -0.028931 TDE= -0.169598 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011176 tlogG= -0.047107 logG= -0.058282 Density= 0.324042 ETOT(band)= -0.345847 trlgG= -0.436237 logG= -0.058282 TDE= -0.339667 logGD-logG0= -0.005720 tlogG= -0.023827 logG= -0.029547 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215597 ETOT(band)= -0.231252 trlgG= -0.292188 logG= -0.029547 TDE= -0.169925 logGD-logG0= -0.005315 tlogG= -0.023250 logG= -0.028565 logGD-logG0= -0.005568 tlogG= -0.023696 logG= -0.029264 Density= 0.216198 ETOT(band)= -0.230588 trlgG= -0.291141 logG= -0.029264 TDE= -0.169941 Density= 0.321768 ETOT(band)= -0.346664 trlgG= -0.436101 logG= -0.028565 TDE= -0.169377 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.022931 logG= -0.028152 logGD-logG0= -0.005756 tlogG= -0.023622 logG= -0.029379 Density= 0.214868 ETOT(band)= -0.229828 trlgG= -0.287401 logG= -0.028152 TDE= -0.169012 Density= 0.215385 ETOT(band)= -0.231088 trlgG= -0.291478 logG= -0.029379 TDE= -0.169748 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005706 tlogG= -0.023884 logG= -0.029590 Density= 0.323571 ETOT(band)= -0.346910 trlgG= -0.438573 logG= -0.029590 TDE= -0.169972 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.047772 logG= -0.058010 logGD-logG0= -0.010851 tlogG= -0.048188 logG= -0.059039 Density= 0.428150 ETOT(band)= -0.462884 trlgG= -0.583160 logG= -0.058010 TDE= -0.339383 Density= 0.430017 ETOT(band)= -0.463140 trlgG= -0.584516 logG= -0.059039 TDE= -0.339510 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.048092 logG= -0.058825 Density= 0.429335 ETOT(band)= -0.463088 trlgG= -0.583865 logG= -0.058825 TDE= -0.339449 logGD-logG0= -0.009447 tlogG= -0.048103 logG= -0.057550 logGD-logG0= -0.011048 tlogG= -0.048054 logG= -0.059102 Density= 0.430120 ETOT(band)= -0.462979 trlgG= -0.584179 logG= -0.059102 TDE= -0.339613 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425795 ETOT(band)= -0.462896 trlgG= -0.581878 logG= -0.057550 TDE= -0.338999 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010278 tlogG= -0.046579 logG= -0.056857 Density= 0.322752 ETOT(band)= -0.345191 trlgG= -0.433069 logG= -0.056857 TDE= -0.338778 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010697 tlogG= -0.047750 logG= -0.058446 Density= 0.428404 ETOT(band)= -0.462886 trlgG= -0.582509 logG= -0.058446 TDE= -0.339023 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.021299 logG= -0.026550 Density= 0.162593 ETOT(band)= -0.171180 trlgG= -0.214316 logG= -0.026550 TDE= -0.168466 logGD-logG0= -0.010109 tlogG= -0.046558 logG= -0.056667 Density= 0.428247 ETOT(band)= -0.461597 trlgG= -0.579806 logG= -0.056667 TDE= -0.338771 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010099 tlogG= -0.047715 logG= -0.057814 Density= 0.426871 ETOT(band)= -0.462998 trlgG= -0.582254 logG= -0.057814 TDE= -0.338892 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011207 tlogG= -0.047734 logG= -0.058941 Density= 0.430698 ETOT(band)= -0.462461 trlgG= -0.583554 logG= -0.058941 TDE= -0.339645 logGD-logG0= -0.010891 tlogG= -0.047911 logG= -0.058802 Density= 0.429247 ETOT(band)= -0.463040 trlgG= -0.583517 logG= -0.058802 TDE= -0.339263 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011419 tlogG= -0.047594 logG= -0.059013 Density= 0.431013 ETOT(band)= -0.462438 trlgG= -0.583954 logG= -0.059013 TDE= -0.339756 logGD-logG0= -0.010058 tlogG= -0.047827 logG= -0.057885 Density= 0.427368 ETOT(band)= -0.462586 trlgG= -0.581201 logG= -0.057885 TDE= -0.338707 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010404 tlogG= -0.047810 logG= -0.058214 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429186 ETOT(band)= -0.462738 trlgG= -0.583257 logG= -0.058214 TDE= -0.339402 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011370 tlogG= -0.047891 logG= -0.059261 Density= 0.431225 ETOT(band)= -0.462727 trlgG= -0.584937 logG= -0.059261 TDE= -0.340016 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005411 tlogG= -0.022451 logG= -0.027862 Density= 0.216341 ETOT(band)= -0.228819 trlgG= -0.286445 logG= -0.027862 TDE= -0.169117 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010520 tlogG= -0.046365 logG= -0.056885 Density= 0.429649 ETOT(band)= -0.460408 trlgG= -0.577020 logG= -0.056885 TDE= -0.338485 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011270 tlogG= -0.047270 logG= -0.058540 Density= 0.430468 ETOT(band)= -0.462024 trlgG= -0.582095 logG= -0.058540 TDE= -0.339269 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010810 tlogG= -0.047550 logG= -0.058360 Density= 0.430030 ETOT(band)= -0.462003 trlgG= -0.581432 logG= -0.058360 TDE= -0.339106 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.047504 logG= -0.058087 Density= 0.428714 ETOT(band)= -0.462257 trlgG= -0.581610 logG= -0.058087 TDE= -0.339082 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010883 tlogG= -0.046915 logG= -0.057798 Density= 0.429941 ETOT(band)= -0.461349 trlgG= -0.579494 logG= -0.057798 TDE= -0.338677 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.022317 logG= -0.027431 Density= 0.215078 ETOT(band)= -0.229402 trlgG= -0.286864 logG= -0.027431 TDE= -0.168837 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005152 tlogG= -0.022323 logG= -0.027475 Density= 0.322925 ETOT(band)= -0.344177 trlgG= -0.430698 logG= -0.027475 TDE= -0.168834 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001291 tlogG= -0.005308 logG= -0.006599 Density= 0.081526 ETOT(band)= -0.084803 trlgG= -0.105453 logG= -0.006599 TDE= -0.042109 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010566 tlogG= -0.044639 logG= -0.055205 Density= 0.324279 ETOT(band)= -0.342974 trlgG= -0.428650 logG= -0.055205 TDE= -0.337889 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.046741 logG= -0.056695 Density= 0.428093 ETOT(band)= -0.460864 trlgG= -0.577200 logG= -0.056695 TDE= -0.338337 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.022277 logG= -0.027540 Density= 0.214358 ETOT(band)= -0.229834 trlgG= -0.287158 logG= -0.027540 TDE= -0.168743 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001808 tlogG= -0.007112 logG= -0.008920 Density= 0.072221 ETOT(band)= -0.075672 trlgG= -0.094140 logG= -0.008920 TDE= -0.056147 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005411 tlogG= -0.021870 logG= -0.027281 Density= 0.216594 ETOT(band)= -0.227855 trlgG= -0.284352 logG= -0.027281 TDE= -0.168792 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005334 tlogG= -0.021343 logG= -0.026677 Density= 0.216968 ETOT(band)= -0.226781 trlgG= -0.282208 logG= -0.026677 TDE= -0.168473 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001668 tlogG= -0.007591 logG= -0.009259 Density= 0.071531 ETOT(band)= -0.076481 trlgG= -0.095406 logG= -0.009259 TDE= -0.056273 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005672 tlogG= -0.024046 logG= -0.029718 Density= 0.215659 ETOT(band)= -0.231498 trlgG= -0.292850 logG= -0.029718 TDE= -0.170095 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.022491 logG= -0.027698 Density= 0.215091 ETOT(band)= -0.229105 trlgG= -0.285811 logG= -0.027698 TDE= -0.168755 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010446 tlogG= -0.044609 logG= -0.055054 Density= 0.431642 ETOT(band)= -0.457095 trlgG= -0.570377 logG= -0.055054 TDE= -0.337583 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005526 tlogG= -0.024081 logG= -0.029607 Density= 0.323008 ETOT(band)= -0.347379 trlgG= -0.439031 logG= -0.029607 TDE= -0.169906 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.021201 logG= -0.026496 Density= 0.216339 ETOT(band)= -0.227588 trlgG= -0.283392 logG= -0.026496 TDE= -0.168383 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.251296851248 eV TrLogG= -404.061139328896 eV Ratio to renormalize= 0.999949349417 rho-rho_expected= 0.001114369273 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962340326792042 0.935427728034039 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001494 tlogG= -0.008042 logG= -0.009536 Density= 0.035338 ETOT(band)= -0.038613 trlgG= -0.048577 logG= -0.009536 TDE= -0.056528 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007812 logG= -0.009391 Density= 0.035515 ETOT(band)= -0.038475 trlgG= -0.048226 logG= -0.009391 TDE= -0.056410 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.024052 logG= -0.028637 Density= 0.106189 ETOT(band)= -0.115786 trlgG= -0.145620 logG= -0.028637 TDE= -0.169531 logGD-logG0= -0.004989 tlogG= -0.023006 logG= -0.027995 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106928 ETOT(band)= -0.115170 trlgG= -0.144051 logG= -0.027995 TDE= -0.168969 logGD-logG0= -0.004900 tlogG= -0.023218 logG= -0.028117 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106797 ETOT(band)= -0.115290 trlgG= -0.144346 logG= -0.028117 TDE= -0.169078 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001742 tlogG= -0.006996 logG= -0.008739 Density= 0.036184 ETOT(band)= -0.037732 trlgG= -0.046913 logG= -0.008739 TDE= -0.056080 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005175 tlogG= -0.021008 logG= -0.026183 Density= 0.108665 ETOT(band)= -0.113116 trlgG= -0.140673 logG= -0.026183 TDE= -0.168263 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005394 tlogG= -0.021827 logG= -0.027221 Density= 0.107805 ETOT(band)= -0.114284 trlgG= -0.142467 logG= -0.027221 TDE= -0.168593 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000211 tlogG= -0.000854 logG= -0.001065 Density= 0.004540 ETOT(band)= -0.004685 trlgG= -0.005813 logG= -0.001065 TDE= -0.006995 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002753 tlogG= -0.012029 logG= -0.014781 Density= 0.053757 ETOT(band)= -0.057896 trlgG= -0.073082 logG= -0.014781 TDE= -0.084902 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002492 tlogG= -0.011445 logG= -0.013937 Density= 0.053746 ETOT(band)= -0.057432 trlgG= -0.071947 logG= -0.013937 TDE= -0.084606 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002481 tlogG= -0.011873 logG= -0.014354 Density= 0.053572 ETOT(band)= -0.057749 trlgG= -0.072692 logG= -0.014354 TDE= -0.084848 logGD-logG0= -0.002574 tlogG= -0.012070 logG= -0.014644 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053590 ETOT(band)= -0.057893 trlgG= -0.073052 logG= -0.014644 TDE= -0.084927 logGD-logG0= -0.002749 tlogG= -0.011958 logG= -0.014708 Density= 0.054106 ETOT(band)= -0.057693 trlgG= -0.072994 logG= -0.014708 TDE= -0.085061 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005377 tlogG= -0.022446 logG= -0.027823 Density= 0.108187 ETOT(band)= -0.114516 trlgG= -0.143473 logG= -0.027823 TDE= -0.169186 logGD-logG0= -0.005518 tlogG= -0.023896 logG= -0.029414 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108169 ETOT(band)= -0.115405 trlgG= -0.145985 logG= -0.029414 TDE= -0.170098 logGD-logG0= -0.005509 tlogG= -0.023390 logG= -0.028899 Density= 0.108093 ETOT(band)= -0.115159 trlgG= -0.145168 logG= -0.028899 TDE= -0.169759 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002817 tlogG= -0.011955 logG= -0.014772 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053962 ETOT(band)= -0.057799 trlgG= -0.073092 logG= -0.014772 TDE= -0.085023 logGD-logG0= -0.005455 tlogG= -0.022956 logG= -0.028411 Density= 0.108110 ETOT(band)= -0.114886 trlgG= -0.144402 logG= -0.028411 TDE= -0.169490 logGD-logG0= -0.005567 tlogG= -0.024077 logG= -0.029644 logGD-logG0= -0.005293 tlogG= -0.024083 logG= -0.029376 Density= 0.107379 ETOT(band)= -0.115744 trlgG= -0.146016 logG= -0.029376 TDE= -0.169777 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107622 ETOT(band)= -0.115800 trlgG= -0.146313 logG= -0.029644 TDE= -0.169926 logGD-logG0= -0.004792 tlogG= -0.024066 logG= -0.028858 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106450 ETOT(band)= -0.115792 trlgG= -0.145662 logG= -0.028858 TDE= -0.169481 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005525 tlogG= -0.023714 logG= -0.029239 Density= 0.108126 ETOT(band)= -0.115326 trlgG= -0.145704 logG= -0.029239 TDE= -0.169971 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005591 tlogG= -0.023923 logG= -0.029514 Density= 0.107726 ETOT(band)= -0.115676 trlgG= -0.146115 logG= -0.029514 TDE= -0.169909 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004613 tlogG= -0.023977 logG= -0.028589 Density= 0.106240 ETOT(band)= -0.115747 trlgG= -0.145512 logG= -0.028589 TDE= -0.169495 logGD-logG0= -0.005665 tlogG= -0.024013 logG= -0.029678 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107850 ETOT(band)= -0.115727 trlgG= -0.146402 logG= -0.029678 TDE= -0.170093 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005530 tlogG= -0.023729 logG= -0.029259 Density= 0.107245 ETOT(band)= -0.115705 trlgG= -0.145624 logG= -0.029259 TDE= -0.169436 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005655 tlogG= -0.024096 logG= -0.029751 Density= 0.107778 ETOT(band)= -0.115806 trlgG= -0.146512 logG= -0.029751 TDE= -0.170095 logGD-logG0= -0.005134 tlogG= -0.023682 logG= -0.028816 logGD-logG0= -0.005228 tlogG= -0.023698 logG= -0.028925 Density= 0.107015 ETOT(band)= -0.115614 trlgG= -0.145149 logG= -0.028925 TDE= -0.169180 Density= 0.107389 ETOT(band)= -0.115437 trlgG= -0.145279 logG= -0.028816 TDE= -0.169603 logGD-logG0= -0.005530 tlogG= -0.023958 logG= -0.029489 Density= 0.107440 ETOT(band)= -0.115773 trlgG= -0.146030 logG= -0.029489 TDE= -0.169708 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.022859 logG= -0.028029 Density= 0.107755 ETOT(band)= -0.114836 trlgG= -0.143842 logG= -0.028029 TDE= -0.169135 logGD-logG0= -0.005376 tlogG= -0.022718 logG= -0.028094 logGD-logG0= -0.005019 tlogG= -0.023664 logG= -0.028683 Density= 0.107006 ETOT(band)= -0.115527 trlgG= -0.145327 logG= -0.028683 TDE= -0.169596 logGD-logG0= -0.005188 tlogG= -0.024043 logG= -0.029232 Density= 0.107075 ETOT(band)= -0.115783 trlgG= -0.146002 logG= -0.029232 TDE= -0.169757 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108224 ETOT(band)= -0.114657 trlgG= -0.143908 logG= -0.028094 TDE= -0.169368 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005503 tlogG= -0.023821 logG= -0.029325 logGD-logG0= -0.005454 tlogG= -0.023184 logG= -0.028638 Density= 0.108159 ETOT(band)= -0.114986 trlgG= -0.144760 logG= -0.028638 TDE= -0.169645 logGD-logG0= -0.005497 tlogG= -0.023562 logG= -0.029059 Density= 0.108155 ETOT(band)= -0.115213 trlgG= -0.145419 logG= -0.029059 TDE= -0.169881 logGD-logG0= -0.004990 tlogG= -0.023528 logG= -0.028517 Density= 0.106827 ETOT(band)= -0.115482 trlgG= -0.144846 logG= -0.028517 TDE= -0.169191 logGD-logG0= -0.005319 tlogG= -0.022419 logG= -0.027738 Density= 0.107657 ETOT(band)= -0.114699 trlgG= -0.143308 logG= -0.027738 TDE= -0.168844 Density= 0.108190 ETOT(band)= -0.115344 trlgG= -0.145842 logG= -0.029325 TDE= -0.170055 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.023946 logG= -0.029072 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005401 tlogG= -0.022895 logG= -0.028296 Density= 0.107630 ETOT(band)= -0.115031 trlgG= -0.144183 logG= -0.028296 TDE= -0.169148 Density= 0.106797 ETOT(band)= -0.115779 trlgG= -0.145721 logG= -0.029072 TDE= -0.169498 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.022842 logG= -0.027902 logGD-logG0= -0.005575 tlogG= -0.023231 logG= -0.028806 Density= 0.107328 ETOT(band)= -0.114948 trlgG= -0.143931 logG= -0.027902 TDE= -0.169141 Density= 0.107680 ETOT(band)= -0.115286 trlgG= -0.144985 logG= -0.028806 TDE= -0.169465 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.023697 logG= -0.028626 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106651 ETOT(band)= -0.115616 trlgG= -0.145191 logG= -0.028626 TDE= -0.169341 logGD-logG0= -0.005642 tlogG= -0.023988 logG= -0.029629 Density= 0.107905 ETOT(band)= -0.115668 trlgG= -0.146326 logG= -0.029629 TDE= -0.170093 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005651 tlogG= -0.023805 logG= -0.029457 Density= 0.107880 ETOT(band)= -0.115563 trlgG= -0.146037 logG= -0.029457 TDE= -0.169965 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005681 tlogG= -0.023520 logG= -0.029201 Density= 0.107779 ETOT(band)= -0.115458 trlgG= -0.145617 logG= -0.029201 TDE= -0.169750 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010395 tlogG= -0.048203 logG= -0.058598 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.047413 logG= -0.057455 Density= 0.214353 ETOT(band)= -0.230968 trlgG= -0.290671 logG= -0.057455 TDE= -0.339288 Density= 0.214422 ETOT(band)= -0.231544 trlgG= -0.292110 logG= -0.058598 TDE= -0.339619 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010539 tlogG= -0.047852 logG= -0.058391 Density= 0.214021 ETOT(band)= -0.231551 trlgG= -0.291757 logG= -0.058391 TDE= -0.339275 logGD-logG0= -0.009620 tlogG= -0.047666 logG= -0.057286 logGD-logG0= -0.010286 tlogG= -0.047247 logG= -0.057533 Density= 0.213863 ETOT(band)= -0.231140 trlgG= -0.290291 logG= -0.057533 TDE= -0.338588 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213049 ETOT(band)= -0.231333 trlgG= -0.290631 logG= -0.057286 TDE= -0.338773 logGD-logG0= -0.010264 tlogG= -0.047116 logG= -0.057380 Density= 0.213845 ETOT(band)= -0.231097 trlgG= -0.290492 logG= -0.057380 TDE= -0.338933 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.045571 logG= -0.055948 Density= 0.214445 ETOT(band)= -0.230062 trlgG= -0.287921 logG= -0.055948 TDE= -0.338092 logGD-logG0= -0.011055 tlogG= -0.048074 logG= -0.059129 Density= 0.215048 ETOT(band)= -0.231575 trlgG= -0.292334 logG= -0.059129 TDE= -0.339621 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011101 tlogG= -0.047733 logG= -0.058834 Density= 0.214761 ETOT(band)= -0.231499 trlgG= -0.291803 logG= -0.058834 TDE= -0.339243 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.045755 logG= -0.055858 Density= 0.215057 ETOT(band)= -0.229760 trlgG= -0.287800 logG= -0.055858 TDE= -0.338362 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010004 tlogG= -0.048010 logG= -0.058014 Density= 0.213370 ETOT(band)= -0.231563 trlgG= -0.291225 logG= -0.058014 TDE= -0.338797 logGD-logG0= -0.011346 tlogG= -0.047401 logG= -0.058747 Density= 0.215643 ETOT(band)= -0.231082 trlgG= -0.291794 logG= -0.058747 TDE= -0.339757 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010888 tlogG= -0.047988 logG= -0.058877 logGD-logG0= -0.010652 tlogG= -0.048005 logG= -0.058657 Density= 0.214549 ETOT(band)= -0.231501 trlgG= -0.291885 logG= -0.058657 TDE= -0.339397 logGD-logG0= -0.011281 tlogG= -0.047807 logG= -0.059089 logGD-logG0= -0.010959 tlogG= -0.047776 logG= -0.058735 Density= 0.214667 ETOT(band)= -0.231483 trlgG= -0.291668 logG= -0.058735 TDE= -0.339161 logGD-logG0= -0.011121 tlogG= -0.048022 logG= -0.059143 Density= 0.215817 ETOT(band)= -0.231212 trlgG= -0.292366 logG= -0.059089 TDE= -0.340075 Density= 0.215082 ETOT(band)= -0.231567 trlgG= -0.292359 logG= -0.059143 TDE= -0.339649 Density= 0.215054 ETOT(band)= -0.231429 trlgG= -0.291921 logG= -0.058877 TDE= -0.339464 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010833 tlogG= -0.047447 logG= -0.058279 logGD-logG0= -0.001791 tlogG= -0.007312 logG= -0.009104 Density= 0.214308 ETOT(band)= -0.231356 trlgG= -0.291015 logG= -0.058279 TDE= -0.338786 logGD-logG0= -0.011332 tlogG= -0.047751 logG= -0.059083 Density= 0.035855 ETOT(band)= -0.038152 trlgG= -0.047535 logG= -0.009104 TDE= -0.056174 Density= 0.215698 ETOT(band)= -0.231270 trlgG= -0.292347 logG= -0.059083 TDE= -0.340002 logGD-logG0= -0.011123 tlogG= -0.047472 logG= -0.058596 Density= 0.215429 ETOT(band)= -0.231100 trlgG= -0.291527 logG= -0.058596 TDE= -0.339537 logGD-logG0= -0.010466 tlogG= -0.045662 logG= -0.056128 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215188 ETOT(band)= -0.229844 trlgG= -0.287808 logG= -0.056128 TDE= -0.338166 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010620 tlogG= -0.047771 logG= -0.058391 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214007 ETOT(band)= -0.231537 trlgG= -0.291513 logG= -0.058391 TDE= -0.339023 logGD-logG0= -0.002580 tlogG= -0.010436 logG= -0.013017 Density= 0.054354 ETOT(band)= -0.056487 trlgG= -0.070201 logG= -0.013017 TDE= -0.084081 logGD-logG0= -0.010384 tlogG= -0.047205 logG= -0.057589 logGD-logG0= -0.010666 tlogG= -0.047171 logG= -0.057837 Density= 0.215150 ETOT(band)= -0.230808 trlgG= -0.290332 logG= -0.057837 TDE= -0.338962 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011216 tlogG= -0.048175 logG= -0.059391 Density= 0.214518 ETOT(band)= -0.230941 trlgG= -0.290466 logG= -0.057589 TDE= -0.339032 logGD-logG0= -0.011161 tlogG= -0.046940 logG= -0.058101 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215374 ETOT(band)= -0.231612 trlgG= -0.292813 logG= -0.059391 TDE= -0.340000 Density= 0.215407 ETOT(band)= -0.230823 trlgG= -0.290743 logG= -0.058101 TDE= -0.339236 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010750 tlogG= -0.046445 logG= -0.057195 Density= 0.215229 ETOT(band)= -0.230413 trlgG= -0.289303 logG= -0.057195 TDE= -0.338615 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002630 tlogG= -0.010847 logG= -0.013477 Density= 0.054059 ETOT(band)= -0.056978 trlgG= -0.071009 logG= -0.013477 TDE= -0.084283 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005249 tlogG= -0.021575 logG= -0.026825 Density= 0.108480 ETOT(band)= -0.113685 trlgG= -0.141799 logG= -0.026825 TDE= -0.168656 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005330 tlogG= -0.022173 logG= -0.027504 Density= 0.108324 ETOT(band)= -0.114210 trlgG= -0.142937 logG= -0.027504 TDE= -0.169038 logGD-logG0= -0.005334 tlogG= -0.021877 logG= -0.027211 Density= 0.108300 ETOT(band)= -0.114036 trlgG= -0.142454 logG= -0.027211 TDE= -0.168835 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005341 tlogG= -0.021704 logG= -0.027045 Density= 0.107940 ETOT(band)= -0.114103 trlgG= -0.142174 logG= -0.027045 TDE= -0.168543 logGD-logG0= -0.001522 tlogG= -0.007964 logG= -0.009486 Density= 0.070915 ETOT(band)= -0.077043 trlgG= -0.096686 logG= -0.009486 TDE= -0.056491 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010669 tlogG= -0.043425 logG= -0.054094 Density= 0.216262 ETOT(band)= -0.228026 trlgG= -0.284360 logG= -0.054094 TDE= -0.337283 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001275 tlogG= -0.005178 logG= -0.006453 Density= 0.062550 ETOT(band)= -0.066794 trlgG= -0.083575 logG= -0.006453 TDE= -0.042011 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004697 tlogG= -0.023745 logG= -0.028442 Density= 0.213218 ETOT(band)= -0.230900 trlgG= -0.289505 logG= -0.028442 TDE= -0.169379 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.022288 logG= -0.027555 Density= 0.214353 ETOT(band)= -0.229845 trlgG= -0.287190 logG= -0.027555 TDE= -0.168744 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004557 tlogG= -0.024131 logG= -0.028689 Density= 0.212317 ETOT(band)= -0.231618 trlgG= -0.291359 logG= -0.028689 TDE= -0.169567 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001809 tlogG= -0.007117 logG= -0.008925 Density= 0.072219 ETOT(band)= -0.075677 trlgG= -0.094155 logG= -0.008925 TDE= -0.056148 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005336 tlogG= -0.021356 logG= -0.026693 Density= 0.216960 ETOT(band)= -0.226798 trlgG= -0.282253 logG= -0.026693 TDE= -0.168477 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005210 tlogG= -0.022502 logG= -0.027713 Density= 0.215086 ETOT(band)= -0.229117 trlgG= -0.285848 logG= -0.027713 TDE= -0.168756 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001363 tlogG= -0.005847 logG= -0.007209 Density= 0.080642 ETOT(band)= -0.086660 trlgG= -0.109320 logG= -0.007209 TDE= -0.042446 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001322 tlogG= -0.005618 logG= -0.006940 Density= 0.080840 ETOT(band)= -0.086031 trlgG= -0.107791 logG= -0.006940 TDE= -0.042312 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001345 tlogG= -0.005743 logG= -0.007087 Density= 0.080638 ETOT(band)= -0.086444 trlgG= -0.108770 logG= -0.007087 TDE= -0.042384 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.005928 logG= -0.007298 Density= 0.080812 ETOT(band)= -0.086710 trlgG= -0.109489 logG= -0.007298 TDE= -0.042498 logGD-logG0= -0.001370 tlogG= -0.005971 logG= -0.007341 Density= 0.081024 ETOT(band)= -0.086633 trlgG= -0.109569 logG= -0.007341 TDE= -0.042527 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005628 tlogG= -0.023738 logG= -0.029366 Density= 0.215298 ETOT(band)= -0.231242 trlgG= -0.291911 logG= -0.029366 TDE= -0.169932 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005599 tlogG= -0.023936 logG= -0.029535 Density= 0.215620 ETOT(band)= -0.231362 trlgG= -0.292489 logG= -0.029535 TDE= -0.170083 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005525 tlogG= -0.023515 logG= -0.029040 Density= 0.215205 ETOT(band)= -0.230800 trlgG= -0.290647 logG= -0.029040 TDE= -0.169682 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005564 tlogG= -0.023939 logG= -0.029503 Density= 0.216243 ETOT(band)= -0.230911 trlgG= -0.292113 logG= -0.029503 TDE= -0.170106 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023850 logG= -0.029212 Density= 0.215449 ETOT(band)= -0.231249 trlgG= -0.291945 logG= -0.029212 TDE= -0.169625 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005674 tlogG= -0.024058 logG= -0.029733 Density= 0.215648 ETOT(band)= -0.231513 trlgG= -0.292888 logG= -0.029733 TDE= -0.170097 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023986 logG= -0.029060 Density= 0.321601 ETOT(band)= -0.347208 trlgG= -0.437922 logG= -0.029060 TDE= -0.169789 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005377 tlogG= -0.023935 logG= -0.029312 Density= 0.214373 ETOT(band)= -0.231495 trlgG= -0.291548 logG= -0.029312 TDE= -0.169623 logGD-logG0= -0.005341 tlogG= -0.024148 logG= -0.029489 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322417 ETOT(band)= -0.347389 trlgG= -0.438496 logG= -0.029489 TDE= -0.169805 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011253 tlogG= -0.048061 logG= -0.059314 Density= 0.323168 ETOT(band)= -0.347212 trlgG= -0.438814 logG= -0.059314 TDE= -0.339996 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.023994 logG= -0.028815 logGD-logG0= -0.005318 tlogG= -0.024138 logG= -0.029456 Density= 0.212929 ETOT(band)= -0.231557 trlgG= -0.291236 logG= -0.028815 TDE= -0.169450 Density= 0.214741 ETOT(band)= -0.231596 trlgG= -0.292192 logG= -0.029456 TDE= -0.169804 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011067 tlogG= -0.046420 logG= -0.057487 logGD-logG0= -0.004991 tlogG= -0.023357 logG= -0.028348 Density= 0.321697 ETOT(band)= -0.346174 trlgG= -0.435373 logG= -0.028348 TDE= -0.169473 logGD-logG0= -0.005138 tlogG= -0.023934 logG= -0.029071 Density= 0.323936 ETOT(band)= -0.345196 trlgG= -0.434223 logG= -0.057487 TDE= -0.339135 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010745 tlogG= -0.045690 logG= -0.056434 Density= 0.213866 ETOT(band)= -0.231367 trlgG= -0.290690 logG= -0.029071 TDE= -0.169345 logGD-logG0= -0.011182 tlogG= -0.047131 logG= -0.058312 Density= 0.324020 ETOT(band)= -0.344248 trlgG= -0.431643 logG= -0.056434 TDE= -0.338541 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324026 ETOT(band)= -0.345870 trlgG= -0.436298 logG= -0.058312 TDE= -0.339672 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.023912 logG= -0.028760 Density= 0.213396 ETOT(band)= -0.231184 trlgG= -0.290273 logG= -0.028760 TDE= -0.169403 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011152 tlogG= -0.047669 logG= -0.058821 Density= 0.324204 ETOT(band)= -0.346257 trlgG= -0.437653 logG= -0.058821 TDE= -0.340054 logGD-logG0= -0.005528 tlogG= -0.024093 logG= -0.029621 logGD-logG0= -0.004755 tlogG= -0.023594 logG= -0.028349 Density= 0.212757 ETOT(band)= -0.231273 trlgG= -0.290448 logG= -0.028349 TDE= -0.169297 logGD-logG0= -0.005556 tlogG= -0.023899 logG= -0.029455 Density= 0.322993 ETOT(band)= -0.347400 trlgG= -0.439086 logG= -0.029621 TDE= -0.169907 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216277 ETOT(band)= -0.230812 trlgG= -0.291891 logG= -0.029455 TDE= -0.170081 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001700 tlogG= -0.006883 logG= -0.008583 Density= 0.040825 ETOT(band)= -0.042242 trlgG= -0.052439 logG= -0.008583 TDE= -0.055999 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005708 tlogG= -0.023896 logG= -0.029605 Density= 0.323554 ETOT(band)= -0.346933 trlgG= -0.438631 logG= -0.029605 TDE= -0.169974 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005571 tlogG= -0.023708 logG= -0.029279 Density= 0.216187 ETOT(band)= -0.230605 trlgG= -0.291182 logG= -0.029279 TDE= -0.169943 logGD-logG0= -0.005044 tlogG= -0.023982 logG= -0.029026 Density= 0.214160 ETOT(band)= -0.231468 trlgG= -0.291825 logG= -0.029026 TDE= -0.169788 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005516 tlogG= -0.022946 logG= -0.028462 Density= 0.216187 ETOT(band)= -0.229636 trlgG= -0.288383 logG= -0.028462 TDE= -0.169439 logGD-logG0= -0.005567 tlogG= -0.023370 logG= -0.028936 Density= 0.216134 ETOT(band)= -0.230215 trlgG= -0.289978 logG= -0.028936 TDE= -0.169712 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.023356 logG= -0.028317 Density= 0.214239 ETOT(band)= -0.230766 trlgG= -0.290057 logG= -0.028317 TDE= -0.169476 logGD-logG0= -0.005137 tlogG= -0.023808 logG= -0.028945 Density= 0.213650 ETOT(band)= -0.231490 trlgG= -0.291387 logG= -0.028945 TDE= -0.169598 logGD-logG0= -0.005759 tlogG= -0.023634 logG= -0.029393 logGD-logG0= -0.005317 tlogG= -0.023263 logG= -0.028580 logGD-logG0= -0.005722 tlogG= -0.023839 logG= -0.029561 Density= 0.215586 ETOT(band)= -0.231267 trlgG= -0.292226 logG= -0.029561 TDE= -0.169927 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321757 ETOT(band)= -0.346682 trlgG= -0.436153 logG= -0.028580 TDE= -0.169380 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215375 ETOT(band)= -0.231102 trlgG= -0.291516 logG= -0.029393 TDE= -0.169750 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005661 tlogG= -0.023421 logG= -0.029082 Density= 0.215113 ETOT(band)= -0.230819 trlgG= -0.290365 logG= -0.029082 TDE= -0.169460 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.022942 logG= -0.028167 Density= 0.214862 ETOT(band)= -0.229840 trlgG= -0.287437 logG= -0.028167 TDE= -0.169013 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.047794 logG= -0.058038 logGD-logG0= -0.010738 tlogG= -0.048115 logG= -0.058853 Density= 0.429317 ETOT(band)= -0.463112 trlgG= -0.583934 logG= -0.058853 TDE= -0.339451 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428137 ETOT(band)= -0.462905 trlgG= -0.583223 logG= -0.058038 TDE= -0.339384 logGD-logG0= -0.005401 tlogG= -0.023254 logG= -0.028655 Density= 0.214910 ETOT(band)= -0.230399 trlgG= -0.288902 logG= -0.028655 TDE= -0.169151 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046602 logG= -0.056886 Density= 0.322741 ETOT(band)= -0.345211 trlgG= -0.433122 logG= -0.056886 TDE= -0.338781 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009453 tlogG= -0.048123 logG= -0.057576 Density= 0.425788 ETOT(band)= -0.462910 trlgG= -0.581930 logG= -0.057576 TDE= -0.338996 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.021313 logG= -0.026566 Density= 0.162586 ETOT(band)= -0.171193 trlgG= -0.214349 logG= -0.026566 TDE= -0.168470 logGD-logG0= -0.010062 tlogG= -0.047850 logG= -0.057912 logGD-logG0= -0.010115 tlogG= -0.046581 logG= -0.056696 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009960 tlogG= -0.046763 logG= -0.056723 Density= 0.428237 ETOT(band)= -0.461617 trlgG= -0.579869 logG= -0.056696 TDE= -0.338773 Density= 0.428084 ETOT(band)= -0.460884 trlgG= -0.577263 logG= -0.056723 TDE= -0.338338 logGD-logG0= -0.011423 tlogG= -0.047619 logG= -0.059042 Density= 0.430992 ETOT(band)= -0.462467 trlgG= -0.584030 logG= -0.059042 TDE= -0.339760 Density= 0.427357 ETOT(band)= -0.462605 trlgG= -0.581262 logG= -0.057912 TDE= -0.338706 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010856 tlogG= -0.048211 logG= -0.059067 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429998 ETOT(band)= -0.463166 trlgG= -0.584587 logG= -0.059067 TDE= -0.339513 logGD-logG0= -0.011052 tlogG= -0.048078 logG= -0.059130 Density= 0.430101 ETOT(band)= -0.463005 trlgG= -0.584251 logG= -0.059130 TDE= -0.339616 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.047833 logG= -0.058242 Density= 0.429171 ETOT(band)= -0.462761 trlgG= -0.583325 logG= -0.058242 TDE= -0.339404 logGD-logG0= -0.010896 tlogG= -0.047934 logG= -0.058830 logGD-logG0= -0.010699 tlogG= -0.047775 logG= -0.058474 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428389 ETOT(band)= -0.462908 trlgG= -0.582574 logG= -0.058474 TDE= -0.339024 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011211 tlogG= -0.047759 logG= -0.058970 Density= 0.430678 ETOT(band)= -0.462490 trlgG= -0.583629 logG= -0.058970 TDE= -0.339648 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429230 ETOT(band)= -0.463064 trlgG= -0.583586 logG= -0.058830 TDE= -0.339265 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.047738 logG= -0.057842 Density= 0.426860 ETOT(band)= -0.463016 trlgG= -0.582313 logG= -0.057842 TDE= -0.338892 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011373 tlogG= -0.047916 logG= -0.059290 Density= 0.431204 ETOT(band)= -0.462757 trlgG= -0.585013 logG= -0.059290 TDE= -0.340020 logGD-logG0= -0.010588 tlogG= -0.047526 logG= -0.058114 Density= 0.428700 ETOT(band)= -0.462279 trlgG= -0.581676 logG= -0.058114 TDE= -0.339084 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010525 tlogG= -0.046388 logG= -0.056914 Density= 0.429636 ETOT(band)= -0.460432 trlgG= -0.577089 logG= -0.056914 TDE= -0.338488 logGD-logG0= -0.005089 tlogG= -0.023225 logG= -0.028314 Density= 0.213597 ETOT(band)= -0.230958 trlgG= -0.289886 logG= -0.028314 TDE= -0.169304 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011274 tlogG= -0.047295 logG= -0.058569 Density= 0.430449 ETOT(band)= -0.462052 trlgG= -0.582170 logG= -0.058569 TDE= -0.339273 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010815 tlogG= -0.047574 logG= -0.058388 Density= 0.430013 ETOT(band)= -0.462029 trlgG= -0.581505 logG= -0.058388 TDE= -0.339109 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010887 tlogG= -0.046939 logG= -0.057827 Density= 0.429926 ETOT(band)= -0.461375 trlgG= -0.579567 logG= -0.057827 TDE= -0.338680 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005312 logG= -0.006603 logGD-logG0= -0.005155 tlogG= -0.022335 logG= -0.027490 Density= 0.322916 ETOT(band)= -0.344196 trlgG= -0.430751 logG= -0.027490 TDE= -0.168835 Density= 0.081522 ETOT(band)= -0.084809 trlgG= -0.105470 logG= -0.006603 TDE= -0.042110 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005413 tlogG= -0.022464 logG= -0.027877 Density= 0.216333 ETOT(band)= -0.228835 trlgG= -0.286487 logG= -0.027877 TDE= -0.169121 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001310 tlogG= -0.005470 logG= -0.006780 Density= 0.081187 ETOT(band)= -0.085447 trlgG= -0.106584 logG= -0.006780 TDE= -0.042219 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001669 tlogG= -0.007595 logG= -0.009264 Density= 0.071530 ETOT(band)= -0.076485 trlgG= -0.095418 logG= -0.009264 TDE= -0.056272 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005118 tlogG= -0.022329 logG= -0.027447 Density= 0.215072 ETOT(band)= -0.229414 trlgG= -0.286899 logG= -0.027447 TDE= -0.168838 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005413 tlogG= -0.021883 logG= -0.027296 Density= 0.216586 ETOT(band)= -0.227871 trlgG= -0.284396 logG= -0.027296 TDE= -0.168796 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010634 tlogG= -0.044668 logG= -0.055302 Density= 0.324241 ETOT(band)= -0.342984 trlgG= -0.428793 logG= -0.055302 TDE= -0.337896 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005297 tlogG= -0.021215 logG= -0.026512 Density= 0.216331 ETOT(band)= -0.227604 trlgG= -0.283435 logG= -0.026512 TDE= -0.168387 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010452 tlogG= -0.044632 logG= -0.055084 Density= 0.431629 ETOT(band)= -0.457124 trlgG= -0.570456 logG= -0.055084 TDE= -0.337586 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.268814783264 eV TrLogG= -404.106337228446 eV Ratio to renormalize= 0.999986657607 rho-rho_expected= 0.000293536555 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962304897758741 0.935685692690820 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002750 tlogG= -0.012044 logG= -0.014794 Density= 0.053768 ETOT(band)= -0.057929 trlgG= -0.073133 logG= -0.014794 TDE= -0.084946 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000210 tlogG= -0.000855 logG= -0.001065 logGD-logG0= -0.002477 tlogG= -0.011890 logG= -0.014367 Density= 0.053581 ETOT(band)= -0.057782 trlgG= -0.072742 logG= -0.014367 TDE= -0.084889 Density= 0.004541 ETOT(band)= -0.004688 trlgG= -0.005816 logG= -0.001065 TDE= -0.006998 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002571 tlogG= -0.012087 logG= -0.014657 Density= 0.053600 ETOT(band)= -0.057927 trlgG= -0.073102 logG= -0.014657 TDE= -0.084969 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001493 tlogG= -0.008052 logG= -0.009545 Density= 0.035343 ETOT(band)= -0.038637 trlgG= -0.048611 logG= -0.009545 TDE= -0.056555 logGD-logG0= -0.002488 tlogG= -0.011461 logG= -0.013949 Density= 0.053755 ETOT(band)= -0.057465 trlgG= -0.071996 logG= -0.013949 TDE= -0.084647 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002742 tlogG= -0.011977 logG= -0.014719 Density= 0.054118 ETOT(band)= -0.057724 trlgG= -0.073043 logG= -0.014719 TDE= -0.085104 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007821 logG= -0.009400 Density= 0.035521 ETOT(band)= -0.038498 trlgG= -0.048259 logG= -0.009400 TDE= -0.056436 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.022993 logG= -0.028434 Density= 0.108133 ETOT(band)= -0.114950 trlgG= -0.144500 logG= -0.028434 TDE= -0.169575 logGD-logG0= -0.005503 tlogG= -0.023935 logG= -0.029438 Density= 0.108193 ETOT(band)= -0.115469 trlgG= -0.146084 logG= -0.029438 TDE= -0.170185 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005511 tlogG= -0.023752 logG= -0.029263 Density= 0.108150 ETOT(band)= -0.115390 trlgG= -0.145803 logG= -0.029263 TDE= -0.170058 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005562 tlogG= -0.024108 logG= -0.029670 logGD-logG0= -0.005496 tlogG= -0.023427 logG= -0.028923 Density= 0.108116 ETOT(band)= -0.115223 trlgG= -0.145267 logG= -0.028923 TDE= -0.169845 Density= 0.107645 ETOT(band)= -0.115865 trlgG= -0.146417 logG= -0.029670 TDE= -0.170015 logGD-logG0= -0.004792 tlogG= -0.024092 logG= -0.028884 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106466 ETOT(band)= -0.115861 trlgG= -0.145760 logG= -0.028884 TDE= -0.169561 logGD-logG0= -0.002810 tlogG= -0.011974 logG= -0.014784 logGD-logG0= -0.004611 tlogG= -0.024004 logG= -0.028616 Density= 0.106255 ETOT(band)= -0.115817 trlgG= -0.145612 logG= -0.028616 TDE= -0.169577 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053974 ETOT(band)= -0.057831 trlgG= -0.073143 logG= -0.014784 TDE= -0.085067 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023714 logG= -0.028842 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107409 ETOT(band)= -0.115503 trlgG= -0.145376 logG= -0.028842 TDE= -0.169686 logGD-logG0= -0.004583 tlogG= -0.024080 logG= -0.028663 logGD-logG0= -0.005651 tlogG= -0.024053 logG= -0.029704 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005651 tlogG= -0.024126 logG= -0.029777 Density= 0.107873 ETOT(band)= -0.115792 trlgG= -0.146505 logG= -0.029704 TDE= -0.170182 Density= 0.106204 ETOT(band)= -0.115857 trlgG= -0.145720 logG= -0.028663 TDE= -0.169612 Density= 0.107801 ETOT(band)= -0.115871 trlgG= -0.146616 logG= -0.029777 TDE= -0.170184 logGD-logG0= -0.005286 tlogG= -0.024115 logG= -0.029402 logGD-logG0= -0.005230 tlogG= -0.023721 logG= -0.028951 Density= 0.107400 ETOT(band)= -0.115811 trlgG= -0.146115 logG= -0.029402 TDE= -0.169860 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107034 ETOT(band)= -0.115681 trlgG= -0.145243 logG= -0.028951 TDE= -0.169258 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.023244 logG= -0.028142 Density= 0.106814 ETOT(band)= -0.115358 trlgG= -0.144443 logG= -0.028142 TDE= -0.169158 logGD-logG0= -0.005365 tlogG= -0.022482 logG= -0.027846 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108209 ETOT(band)= -0.114579 trlgG= -0.143570 logG= -0.027846 TDE= -0.169270 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005489 tlogG= -0.023860 logG= -0.029348 logGD-logG0= -0.005524 tlogG= -0.023990 logG= -0.029514 Density= 0.107461 ETOT(band)= -0.115839 trlgG= -0.146134 logG= -0.029514 TDE= -0.169797 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108214 ETOT(band)= -0.115407 trlgG= -0.145940 logG= -0.029348 TDE= -0.170141 logGD-logG0= -0.004987 tlogG= -0.023032 logG= -0.028019 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005535 tlogG= -0.023750 logG= -0.029285 logGD-logG0= -0.004990 tlogG= -0.023553 logG= -0.028543 Density= 0.106845 ETOT(band)= -0.115549 trlgG= -0.144941 logG= -0.028543 TDE= -0.169271 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107266 ETOT(band)= -0.115772 trlgG= -0.145728 logG= -0.029285 TDE= -0.169524 Density= 0.106945 ETOT(band)= -0.115238 trlgG= -0.144150 logG= -0.028019 TDE= -0.169052 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.024077 logG= -0.029258 logGD-logG0= -0.005587 tlogG= -0.023953 logG= -0.029540 Density= 0.107095 ETOT(band)= -0.115850 trlgG= -0.146103 logG= -0.029258 TDE= -0.169841 logGD-logG0= -0.005364 tlogG= -0.022754 logG= -0.028118 Density= 0.108246 ETOT(band)= -0.114721 trlgG= -0.144005 logG= -0.028118 TDE= -0.169452 Density= 0.107749 ETOT(band)= -0.115742 trlgG= -0.146218 logG= -0.029540 TDE= -0.169998 logGD-logG0= -0.005395 tlogG= -0.022925 logG= -0.028320 Density= 0.107650 ETOT(band)= -0.115096 trlgG= -0.144284 logG= -0.028320 TDE= -0.169234 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023221 logG= -0.028662 Density= 0.108181 ETOT(band)= -0.115050 trlgG= -0.144859 logG= -0.028662 TDE= -0.169730 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005012 tlogG= -0.023697 logG= -0.028708 logGD-logG0= -0.005164 tlogG= -0.022889 logG= -0.028053 logGD-logG0= -0.005313 tlogG= -0.022449 logG= -0.027761 Density= 0.107676 ETOT(band)= -0.114764 trlgG= -0.143406 logG= -0.027761 TDE= -0.168929 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107024 ETOT(band)= -0.115594 trlgG= -0.145428 logG= -0.028708 TDE= -0.169680 Density= 0.107775 ETOT(band)= -0.114901 trlgG= -0.143938 logG= -0.028053 TDE= -0.169217 logGD-logG0= -0.005128 tlogG= -0.023970 logG= -0.029098 Density= 0.106815 ETOT(band)= -0.115847 trlgG= -0.145823 logG= -0.029098 TDE= -0.169582 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023600 logG= -0.029083 Density= 0.108178 ETOT(band)= -0.115276 trlgG= -0.145518 logG= -0.029083 TDE= -0.169967 logGD-logG0= -0.005627 tlogG= -0.024027 logG= -0.029655 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107929 ETOT(band)= -0.115732 trlgG= -0.146427 logG= -0.029655 TDE= -0.170182 logGD-logG0= -0.005051 tlogG= -0.022874 logG= -0.027926 Density= 0.107347 ETOT(band)= -0.115015 trlgG= -0.144029 logG= -0.027926 TDE= -0.169224 logGD-logG0= -0.004929 tlogG= -0.023723 logG= -0.028652 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106668 ETOT(band)= -0.115685 trlgG= -0.145292 logG= -0.028652 TDE= -0.169425 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005637 tlogG= -0.023845 logG= -0.029481 Density= 0.107903 ETOT(band)= -0.115627 trlgG= -0.146138 logG= -0.029481 TDE= -0.170053 logGD-logG0= -0.005571 tlogG= -0.023260 logG= -0.028831 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107702 ETOT(band)= -0.115351 trlgG= -0.145086 logG= -0.028831 TDE= -0.169552 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010028 tlogG= -0.047478 logG= -0.057506 Density= 0.214391 ETOT(band)= -0.231102 trlgG= -0.290870 logG= -0.057506 TDE= -0.339455 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005667 tlogG= -0.023559 logG= -0.029226 logGD-logG0= -0.010381 tlogG= -0.048269 logG= -0.058650 Density= 0.107801 ETOT(band)= -0.115522 trlgG= -0.145718 logG= -0.029226 TDE= -0.169837 Density= 0.214463 ETOT(band)= -0.231678 trlgG= -0.292310 logG= -0.058650 TDE= -0.339787 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010362 tlogG= -0.045634 logG= -0.055996 logGD-logG0= -0.010288 tlogG= -0.047296 logG= -0.057584 Density= 0.213900 ETOT(band)= -0.231275 trlgG= -0.290491 logG= -0.057584 TDE= -0.338755 logGD-logG0= -0.010525 tlogG= -0.047918 logG= -0.058443 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.047182 logG= -0.057432 Density= 0.214482 ETOT(band)= -0.230195 trlgG= -0.288117 logG= -0.055996 TDE= -0.338257 Density= 0.213881 ETOT(band)= -0.231233 trlgG= -0.290693 logG= -0.057432 TDE= -0.339101 Density= 0.214060 ETOT(band)= -0.231686 trlgG= -0.291958 logG= -0.058443 TDE= -0.339443 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009619 tlogG= -0.047719 logG= -0.057338 Density= 0.213082 ETOT(band)= -0.231472 trlgG= -0.290827 logG= -0.057338 TDE= -0.338932 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011089 tlogG= -0.047797 logG= -0.058886 Density= 0.214804 ETOT(band)= -0.231631 trlgG= -0.292012 logG= -0.058886 TDE= -0.339421 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.048060 logG= -0.058067 Density= 0.213406 ETOT(band)= -0.231700 trlgG= -0.291417 logG= -0.058067 TDE= -0.338955 logGD-logG0= -0.011044 tlogG= -0.048137 logG= -0.059181 Density= 0.215092 ETOT(band)= -0.231707 trlgG= -0.292542 logG= -0.059181 TDE= -0.339799 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011111 tlogG= -0.048084 logG= -0.059195 Density= 0.215127 ETOT(band)= -0.231698 trlgG= -0.292567 logG= -0.059195 TDE= -0.339827 logGD-logG0= -0.010878 tlogG= -0.048050 logG= -0.058928 Density= 0.215098 ETOT(band)= -0.231560 trlgG= -0.292128 logG= -0.058928 TDE= -0.339642 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010089 tlogG= -0.045817 logG= -0.055906 logGD-logG0= -0.011317 tlogG= -0.047480 logG= -0.058797 Density= 0.215689 ETOT(band)= -0.231211 trlgG= -0.291996 logG= -0.058797 TDE= -0.339933 Density= 0.215095 ETOT(band)= -0.229891 trlgG= -0.287993 logG= -0.055906 TDE= -0.338527 logGD-logG0= -0.010947 tlogG= -0.047839 logG= -0.058787 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.048069 logG= -0.058709 Density= 0.214590 ETOT(band)= -0.231634 trlgG= -0.292082 logG= -0.058709 TDE= -0.339563 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214710 ETOT(band)= -0.231616 trlgG= -0.291867 logG= -0.058787 TDE= -0.339329 logGD-logG0= -0.011252 tlogG= -0.047886 logG= -0.059138 Density= 0.215864 ETOT(band)= -0.231341 trlgG= -0.292569 logG= -0.059138 TDE= -0.340251 logGD-logG0= -0.010840 tlogG= -0.047491 logG= -0.058331 Density= 0.214348 ETOT(band)= -0.231489 trlgG= -0.291213 logG= -0.058331 TDE= -0.338952 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001791 tlogG= -0.007321 logG= -0.009111 Density= 0.035861 ETOT(band)= -0.038174 trlgG= -0.047567 logG= -0.009111 TDE= -0.056202 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001738 tlogG= -0.007008 logG= -0.008746 Density= 0.036192 ETOT(band)= -0.037752 trlgG= -0.046943 logG= -0.008746 TDE= -0.056107 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002574 tlogG= -0.010453 logG= -0.013027 logGD-logG0= -0.010655 tlogG= -0.047232 logG= -0.057887 logGD-logG0= -0.011303 tlogG= -0.047831 logG= -0.059133 Density= 0.215745 ETOT(band)= -0.231400 trlgG= -0.292551 logG= -0.059133 TDE= -0.340179 Density= 0.054365 ETOT(band)= -0.056518 trlgG= -0.070247 logG= -0.013027 TDE= -0.084122 Density= 0.215192 ETOT(band)= -0.230939 trlgG= -0.290527 logG= -0.057887 TDE= -0.339128 logGD-logG0= -0.010627 tlogG= -0.047817 logG= -0.058443 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011115 tlogG= -0.047531 logG= -0.058646 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214046 ETOT(band)= -0.231671 trlgG= -0.291713 logG= -0.058443 TDE= -0.339191 Density= 0.215474 ETOT(band)= -0.231230 trlgG= -0.291732 logG= -0.058646 TDE= -0.339713 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010739 tlogG= -0.046505 logG= -0.057244 Density= 0.215271 ETOT(band)= -0.230543 trlgG= -0.289505 logG= -0.057244 TDE= -0.338788 logGD-logG0= -0.010453 tlogG= -0.045723 logG= -0.056176 logGD-logG0= -0.010371 tlogG= -0.047269 logG= -0.057640 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215228 ETOT(band)= -0.229975 trlgG= -0.288000 logG= -0.056176 TDE= -0.338329 Density= 0.214558 ETOT(band)= -0.231074 trlgG= -0.290663 logG= -0.057640 TDE= -0.339197 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011153 tlogG= -0.046998 logG= -0.058151 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215451 ETOT(band)= -0.230953 trlgG= -0.290945 logG= -0.058151 TDE= -0.339410 logGD-logG0= -0.002626 tlogG= -0.010862 logG= -0.013488 Density= 0.054070 ETOT(band)= -0.057010 trlgG= -0.071057 logG= -0.013488 TDE= -0.084325 logGD-logG0= -0.011207 tlogG= -0.048235 logG= -0.059442 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215420 ETOT(band)= -0.231743 trlgG= -0.293021 logG= -0.059442 TDE= -0.340179 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.021911 logG= -0.027233 Density= 0.108321 ETOT(band)= -0.114099 trlgG= -0.142548 logG= -0.027233 TDE= -0.168918 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005237 tlogG= -0.021609 logG= -0.026846 Density= 0.108502 ETOT(band)= -0.113748 trlgG= -0.141892 logG= -0.026846 TDE= -0.168738 logGD-logG0= -0.005163 tlogG= -0.021041 logG= -0.026204 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108687 ETOT(band)= -0.113178 trlgG= -0.140765 logG= -0.026204 TDE= -0.168344 logGD-logG0= -0.005318 tlogG= -0.022208 logG= -0.027526 Density= 0.108346 ETOT(band)= -0.114273 trlgG= -0.143032 logG= -0.027526 TDE= -0.169121 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005387 tlogG= -0.021857 logG= -0.027244 Density= 0.107825 ETOT(band)= -0.114348 trlgG= -0.142564 logG= -0.027244 TDE= -0.168677 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005334 tlogG= -0.021734 logG= -0.027067 Density= 0.107959 ETOT(band)= -0.114167 trlgG= -0.142270 logG= -0.027067 TDE= -0.168626 logGD-logG0= -0.010654 tlogG= -0.043484 logG= -0.054138 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216303 ETOT(band)= -0.228153 trlgG= -0.284550 logG= -0.054138 TDE= -0.337450 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001342 tlogG= -0.005752 logG= -0.007093 Density= 0.080653 ETOT(band)= -0.086494 trlgG= -0.108844 logG= -0.007093 TDE= -0.042405 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001319 tlogG= -0.005627 logG= -0.006946 Density= 0.080855 ETOT(band)= -0.086080 trlgG= -0.107864 logG= -0.006946 TDE= -0.042333 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001366 tlogG= -0.005937 logG= -0.007304 Density= 0.080829 ETOT(band)= -0.086759 trlgG= -0.109566 logG= -0.007304 TDE= -0.042520 logGD-logG0= -0.001359 tlogG= -0.005856 logG= -0.007215 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080658 ETOT(band)= -0.086709 trlgG= -0.109395 logG= -0.007215 TDE= -0.042467 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001366 tlogG= -0.005981 logG= -0.007347 logGD-logG0= -0.005584 tlogG= -0.023976 logG= -0.029560 Density= 0.215666 ETOT(band)= -0.231492 trlgG= -0.292693 logG= -0.029560 TDE= -0.170170 Density= 0.081042 ETOT(band)= -0.086681 trlgG= -0.109644 logG= -0.007347 TDE= -0.042549 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023958 logG= -0.029098 Density= 0.213904 ETOT(band)= -0.231502 trlgG= -0.290884 logG= -0.029098 TDE= -0.169428 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023968 logG= -0.029338 Density= 0.214414 ETOT(band)= -0.231628 trlgG= -0.291751 logG= -0.029338 TDE= -0.169707 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005613 tlogG= -0.023777 logG= -0.029390 logGD-logG0= -0.005507 tlogG= -0.022979 logG= -0.028486 Density= 0.215342 ETOT(band)= -0.231372 trlgG= -0.292109 logG= -0.029390 TDE= -0.170020 Density= 0.216231 ETOT(band)= -0.229764 trlgG= -0.288579 logG= -0.028486 TDE= -0.169524 logGD-logG0= -0.005553 tlogG= -0.023408 logG= -0.028961 Density= 0.216180 ETOT(band)= -0.230342 trlgG= -0.290175 logG= -0.028961 TDE= -0.169799 logGD-logG0= -0.005521 tlogG= -0.023544 logG= -0.029065 Density= 0.215248 ETOT(band)= -0.230931 trlgG= -0.290846 logG= -0.029065 TDE= -0.169769 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005549 tlogG= -0.023978 logG= -0.029527 Density= 0.216292 ETOT(band)= -0.231038 trlgG= -0.292312 logG= -0.029527 TDE= -0.170193 logGD-logG0= -0.005357 tlogG= -0.023881 logG= -0.029238 Density= 0.215494 ETOT(band)= -0.231379 trlgG= -0.292146 logG= -0.029238 TDE= -0.169709 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005666 tlogG= -0.024093 logG= -0.029759 Density= 0.215695 ETOT(band)= -0.231643 trlgG= -0.293094 logG= -0.029759 TDE= -0.170186 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023257 logG= -0.028339 Density= 0.213632 ETOT(band)= -0.231094 trlgG= -0.290088 logG= -0.028339 TDE= -0.169388 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.024019 logG= -0.029086 Density= 0.321662 ETOT(band)= -0.347409 trlgG= -0.438220 logG= -0.029086 TDE= -0.169872 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.023389 logG= -0.028373 Density= 0.321754 ETOT(band)= -0.346375 trlgG= -0.435670 logG= -0.028373 TDE= -0.169556 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004556 tlogG= -0.024159 logG= -0.028715 Density= 0.212347 ETOT(band)= -0.231759 trlgG= -0.291559 logG= -0.028715 TDE= -0.169649 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.024021 logG= -0.028841 Density= 0.212963 ETOT(band)= -0.231696 trlgG= -0.291431 logG= -0.028841 TDE= -0.169530 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011059 tlogG= -0.046477 logG= -0.057535 Density= 0.324002 ETOT(band)= -0.345388 trlgG= -0.434520 logG= -0.057535 TDE= -0.339308 logGD-logG0= -0.004849 tlogG= -0.023938 logG= -0.028787 Density= 0.213431 ETOT(band)= -0.231321 trlgG= -0.290466 logG= -0.028787 TDE= -0.169483 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.024180 logG= -0.029515 Density= 0.322482 ETOT(band)= -0.347586 trlgG= -0.438802 logG= -0.029515 TDE= -0.169888 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005542 tlogG= -0.023937 logG= -0.029479 Density= 0.216326 ETOT(band)= -0.230939 trlgG= -0.292089 logG= -0.029479 TDE= -0.170169 logGD-logG0= -0.001272 tlogG= -0.005186 logG= -0.006458 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062561 ETOT(band)= -0.066833 trlgG= -0.083631 logG= -0.006458 TDE= -0.042031 logGD-logG0= -0.004753 tlogG= -0.023622 logG= -0.028375 Density= 0.212788 ETOT(band)= -0.231412 trlgG= -0.290647 logG= -0.028375 TDE= -0.169378 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005311 tlogG= -0.024171 logG= -0.029482 Density= 0.214784 ETOT(band)= -0.231729 trlgG= -0.292395 logG= -0.029482 TDE= -0.169887 logGD-logG0= -0.004696 tlogG= -0.023772 logG= -0.028468 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213250 ETOT(band)= -0.231038 trlgG= -0.289700 logG= -0.028468 TDE= -0.169460 logGD-logG0= -0.011123 tlogG= -0.047747 logG= -0.058870 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324276 ETOT(band)= -0.346448 trlgG= -0.437951 logG= -0.058870 TDE= -0.340229 logGD-logG0= -0.011153 tlogG= -0.047208 logG= -0.058361 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324095 ETOT(band)= -0.346062 trlgG= -0.436596 logG= -0.058361 TDE= -0.339846 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011245 tlogG= -0.048121 logG= -0.059366 Density= 0.323237 ETOT(band)= -0.347408 trlgG= -0.439123 logG= -0.059366 TDE= -0.340174 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005699 tlogG= -0.023931 logG= -0.029630 Density= 0.323625 ETOT(band)= -0.347127 trlgG= -0.438936 logG= -0.029630 TDE= -0.170063 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005713 tlogG= -0.023873 logG= -0.029586 Density= 0.215633 ETOT(band)= -0.231397 trlgG= -0.292430 logG= -0.029586 TDE= -0.170015 logGD-logG0= -0.005036 tlogG= -0.024016 logG= -0.029052 Density= 0.214199 ETOT(band)= -0.231603 trlgG= -0.292026 logG= -0.029052 TDE= -0.169872 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023842 logG= -0.028971 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213687 ETOT(band)= -0.231626 trlgG= -0.291590 logG= -0.028971 TDE= -0.169682 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023292 logG= -0.028604 Density= 0.321818 ETOT(band)= -0.346881 trlgG= -0.436453 logG= -0.028604 TDE= -0.169466 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.045747 logG= -0.056482 logGD-logG0= -0.005556 tlogG= -0.023747 logG= -0.029303 logGD-logG0= -0.005225 tlogG= -0.022967 logG= -0.028191 Density= 0.214900 ETOT(band)= -0.229972 trlgG= -0.287634 logG= -0.028191 TDE= -0.169095 logGD-logG0= -0.004954 tlogG= -0.023388 logG= -0.028342 Density= 0.214275 ETOT(band)= -0.230901 trlgG= -0.290256 logG= -0.028342 TDE= -0.169559 Density= 0.216234 ETOT(band)= -0.230732 trlgG= -0.291380 logG= -0.029303 TDE= -0.170030 Density= 0.324084 ETOT(band)= -0.344440 trlgG= -0.431938 logG= -0.056482 TDE= -0.338712 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023277 logG= -0.028680 Density= 0.214950 ETOT(band)= -0.230530 trlgG= -0.289100 logG= -0.028680 TDE= -0.169234 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005523 tlogG= -0.024124 logG= -0.029647 logGD-logG0= -0.010725 tlogG= -0.048180 logG= -0.058906 Density= 0.323061 ETOT(band)= -0.347597 trlgG= -0.439398 logG= -0.029647 TDE= -0.169996 Density= 0.429403 ETOT(band)= -0.463377 trlgG= -0.584341 logG= -0.058906 TDE= -0.339618 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005665 tlogG= -0.023442 logG= -0.029107 Density= 0.215155 ETOT(band)= -0.230950 trlgG= -0.290569 logG= -0.029107 TDE= -0.169548 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.046814 logG= -0.056774 Density= 0.428154 ETOT(band)= -0.461154 trlgG= -0.577660 logG= -0.056774 TDE= -0.338505 logGD-logG0= -0.005751 tlogG= -0.023668 logG= -0.029418 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215420 ETOT(band)= -0.231232 trlgG= -0.291719 logG= -0.029418 TDE= -0.169838 logGD-logG0= -0.009452 tlogG= -0.048177 logG= -0.057629 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010845 tlogG= -0.048275 logG= -0.059119 logGD-logG0= -0.010229 tlogG= -0.047860 logG= -0.058090 Density= 0.428215 ETOT(band)= -0.463174 trlgG= -0.583625 logG= -0.058090 TDE= -0.339551 Density= 0.425854 ETOT(band)= -0.463188 trlgG= -0.582323 logG= -0.057629 TDE= -0.339157 Density= 0.430086 ETOT(band)= -0.463430 trlgG= -0.584997 logG= -0.059119 TDE= -0.339684 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010706 tlogG= -0.047820 logG= -0.058526 Density= 0.428469 ETOT(band)= -0.463176 trlgG= -0.582972 logG= -0.058526 TDE= -0.339192 logGD-logG0= -0.010100 tlogG= -0.046645 logG= -0.056746 Density= 0.428310 ETOT(band)= -0.461887 trlgG= -0.580268 logG= -0.056746 TDE= -0.338939 logGD-logG0= -0.010270 tlogG= -0.046665 logG= -0.056935 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005479 logG= -0.006786 Density= 0.322801 ETOT(band)= -0.345407 trlgG= -0.433412 logG= -0.056935 TDE= -0.338945 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081202 ETOT(band)= -0.085494 trlgG= -0.106655 logG= -0.006786 TDE= -0.042239 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010065 tlogG= -0.047900 logG= -0.057965 Density= 0.427431 ETOT(band)= -0.462877 trlgG= -0.581653 logG= -0.057965 TDE= -0.338863 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.021346 logG= -0.026588 logGD-logG0= -0.011412 tlogG= -0.047681 logG= -0.059093 Density= 0.162620 ETOT(band)= -0.171287 trlgG= -0.214491 logG= -0.026588 TDE= -0.168552 logGD-logG0= -0.011042 tlogG= -0.048140 logG= -0.059182 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431084 ETOT(band)= -0.462726 trlgG= -0.584438 logG= -0.059093 TDE= -0.339937 Density= 0.430190 ETOT(band)= -0.463268 trlgG= -0.584667 logG= -0.059182 TDE= -0.339795 logGD-logG0= -0.010107 tlogG= -0.047787 logG= -0.057894 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010884 tlogG= -0.047998 logG= -0.058883 Density= 0.429315 ETOT(band)= -0.463329 trlgG= -0.583983 logG= -0.058883 TDE= -0.339430 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426933 ETOT(band)= -0.463290 trlgG= -0.582708 logG= -0.057894 TDE= -0.339061 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047897 logG= -0.058293 Density= 0.429253 ETOT(band)= -0.463028 trlgG= -0.583719 logG= -0.058293 TDE= -0.339570 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011202 tlogG= -0.047819 logG= -0.059021 Density= 0.430768 ETOT(band)= -0.462750 trlgG= -0.584040 logG= -0.059021 TDE= -0.339826 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011360 tlogG= -0.047981 logG= -0.059341 logGD-logG0= -0.010803 tlogG= -0.047636 logG= -0.058440 Density= 0.430098 ETOT(band)= -0.462291 trlgG= -0.581896 logG= -0.058440 TDE= -0.339275 Density= 0.431297 ETOT(band)= -0.463016 trlgG= -0.585423 logG= -0.059341 TDE= -0.340197 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.047591 logG= -0.058166 Density= 0.428779 ETOT(band)= -0.462547 trlgG= -0.582072 logG= -0.058166 TDE= -0.339250 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011264 tlogG= -0.047355 logG= -0.058619 Density= 0.430537 ETOT(band)= -0.462313 trlgG= -0.582579 logG= -0.058619 TDE= -0.339449 logGD-logG0= -0.010512 tlogG= -0.046452 logG= -0.056964 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429714 ETOT(band)= -0.460696 trlgG= -0.577477 logG= -0.056964 TDE= -0.338653 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010876 tlogG= -0.047001 logG= -0.057877 Density= 0.430008 ETOT(band)= -0.461638 trlgG= -0.579965 logG= -0.057877 TDE= -0.338845 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001521 tlogG= -0.007974 logG= -0.009495 Density= 0.070925 ETOT(band)= -0.077090 trlgG= -0.096752 logG= -0.009495 TDE= -0.056518 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010559 tlogG= -0.044723 logG= -0.055282 Density= 0.324330 ETOT(band)= -0.343188 trlgG= -0.429002 logG= -0.055282 TDE= -0.338064 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.022493 logG= -0.027901 Density= 0.216375 ETOT(band)= -0.228962 trlgG= -0.286680 logG= -0.027901 TDE= -0.169205 logGD-logG0= -0.005147 tlogG= -0.022366 logG= -0.027513 logGD-logG0= -0.001289 tlogG= -0.005320 logG= -0.006609 Density= 0.081539 ETOT(band)= -0.084855 trlgG= -0.105539 logG= -0.006609 TDE= -0.042131 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322974 ETOT(band)= -0.344392 trlgG= -0.431040 logG= -0.027513 TDE= -0.168917 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001696 tlogG= -0.006894 logG= -0.008589 Density= 0.040833 ETOT(band)= -0.042264 trlgG= -0.052472 logG= -0.008589 TDE= -0.056026 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001804 tlogG= -0.007128 logG= -0.008933 Density= 0.072233 ETOT(band)= -0.075719 trlgG= -0.094217 logG= -0.008933 TDE= -0.056176 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005259 tlogG= -0.022320 logG= -0.027579 Density= 0.214388 ETOT(band)= -0.229978 trlgG= -0.287386 logG= -0.027579 TDE= -0.168826 logGD-logG0= -0.001669 tlogG= -0.007604 logG= -0.009272 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.071541 ETOT(band)= -0.076529 trlgG= -0.095482 logG= -0.009272 TDE= -0.056299 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005110 tlogG= -0.022360 logG= -0.027470 Density= 0.215110 ETOT(band)= -0.229546 trlgG= -0.287092 logG= -0.027470 TDE= -0.168920 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005403 tlogG= -0.021916 logG= -0.027319 Density= 0.216628 ETOT(band)= -0.227997 trlgG= -0.284585 logG= -0.027319 TDE= -0.168880 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005324 tlogG= -0.021390 logG= -0.026714 Density= 0.217003 ETOT(band)= -0.226923 trlgG= -0.282438 logG= -0.026714 TDE= -0.168559 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005209 tlogG= -0.022528 logG= -0.027736 Density= 0.215123 ETOT(band)= -0.229248 trlgG= -0.286042 logG= -0.027736 TDE= -0.168839 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005285 tlogG= -0.021248 logG= -0.026533 Density= 0.216372 ETOT(band)= -0.227731 trlgG= -0.283624 logG= -0.026533 TDE= -0.168470 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010437 tlogG= -0.044694 logG= -0.055131 Density= 0.431708 ETOT(band)= -0.457381 trlgG= -0.570837 logG= -0.055131 TDE= -0.337750 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.452381195438 eV TrLogG= -404.410637941383 eV Ratio to renormalize= 0.999793872683 rho-rho_expected= 0.004535735908 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 58) Finished k-point number 118 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962443565914799 0.935645232027005 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002478 tlogG= -0.011887 logG= -0.014365 Density= 0.053579 ETOT(band)= -0.057777 trlgG= -0.072734 logG= -0.014365 TDE= -0.084883 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005533 tlogG= -0.023747 logG= -0.029280 Density= 0.107263 ETOT(band)= -0.115761 trlgG= -0.145711 logG= -0.029280 TDE= -0.169510 logGD-logG0= -0.004792 tlogG= -0.024088 logG= -0.028880 Density= 0.106464 ETOT(band)= -0.115850 trlgG= -0.145744 logG= -0.028880 TDE= -0.169548 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.023719 logG= -0.028648 Density= 0.106665 ETOT(band)= -0.115674 trlgG= -0.145276 logG= -0.028648 TDE= -0.169411 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023966 logG= -0.029094 Density= 0.106812 ETOT(band)= -0.115836 trlgG= -0.145806 logG= -0.029094 TDE= -0.169568 logGD-logG0= -0.005052 tlogG= -0.022869 logG= -0.027922 Density= 0.107344 ETOT(band)= -0.115004 trlgG= -0.144013 logG= -0.027922 TDE= -0.169210 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002626 tlogG= -0.010860 logG= -0.013486 Density= 0.054068 ETOT(band)= -0.057005 trlgG= -0.071049 logG= -0.013486 TDE= -0.084318 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005319 tlogG= -0.022203 logG= -0.027522 Density= 0.108343 ETOT(band)= -0.114263 trlgG= -0.143017 logG= -0.027522 TDE= -0.169108 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000210 tlogG= -0.000855 logG= -0.001065 Density= 0.004541 ETOT(band)= -0.004687 trlgG= -0.005816 logG= -0.001065 TDE= -0.006998 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002750 tlogG= -0.012042 logG= -0.014792 Density= 0.053766 ETOT(band)= -0.057923 trlgG= -0.073125 logG= -0.014792 TDE= -0.084939 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002571 tlogG= -0.012084 logG= -0.014655 Density= 0.053598 ETOT(band)= -0.057921 trlgG= -0.073094 logG= -0.014655 TDE= -0.084962 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007820 logG= -0.009398 logGD-logG0= -0.001493 tlogG= -0.008050 logG= -0.009544 Density= 0.035342 ETOT(band)= -0.038633 trlgG= -0.048605 logG= -0.009544 TDE= -0.056551 Density= 0.035520 ETOT(band)= -0.038495 trlgG= -0.048253 logG= -0.009398 TDE= -0.056432 logGD-logG0= -0.002743 tlogG= -0.011974 logG= -0.014717 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054116 ETOT(band)= -0.057719 trlgG= -0.073035 logG= -0.014717 TDE= -0.085097 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002489 tlogG= -0.011458 logG= -0.013947 Density= 0.053754 ETOT(band)= -0.057460 trlgG= -0.071988 logG= -0.013947 TDE= -0.084641 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.022987 logG= -0.028430 Density= 0.108129 ETOT(band)= -0.114939 trlgG= -0.144484 logG= -0.028430 TDE= -0.169561 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005513 tlogG= -0.023746 logG= -0.029259 Density= 0.108147 ETOT(band)= -0.115380 trlgG= -0.145787 logG= -0.029259 TDE= -0.170044 logGD-logG0= -0.005366 tlogG= -0.022476 logG= -0.027843 Density= 0.108205 ETOT(band)= -0.114569 trlgG= -0.143554 logG= -0.027843 TDE= -0.169257 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005498 tlogG= -0.023422 logG= -0.028919 Density= 0.108112 ETOT(band)= -0.115212 trlgG= -0.145251 logG= -0.028919 TDE= -0.169831 logGD-logG0= -0.005562 tlogG= -0.024103 logG= -0.029666 logGD-logG0= -0.005505 tlogG= -0.023929 logG= -0.029434 Density= 0.108189 ETOT(band)= -0.115458 trlgG= -0.146068 logG= -0.029434 TDE= -0.170171 logGD-logG0= -0.004611 tlogG= -0.024000 logG= -0.028611 Density= 0.106253 ETOT(band)= -0.115806 trlgG= -0.145596 logG= -0.028611 TDE= -0.169563 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107641 ETOT(band)= -0.115855 trlgG= -0.146400 logG= -0.029666 TDE= -0.170000 logGD-logG0= -0.004583 tlogG= -0.024076 logG= -0.028659 Density= 0.106202 ETOT(band)= -0.115845 trlgG= -0.145704 logG= -0.028659 TDE= -0.169599 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002811 tlogG= -0.011971 logG= -0.014782 Density= 0.053972 ETOT(band)= -0.057826 trlgG= -0.073134 logG= -0.014782 TDE= -0.085060 logGD-logG0= -0.005587 tlogG= -0.023949 logG= -0.029536 logGD-logG0= -0.005229 tlogG= -0.023718 logG= -0.028947 Density= 0.107745 ETOT(band)= -0.115731 trlgG= -0.146201 logG= -0.029536 TDE= -0.169983 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005653 tlogG= -0.024047 logG= -0.029699 logGD-logG0= -0.004898 tlogG= -0.023240 logG= -0.028138 Density= 0.106811 ETOT(band)= -0.115348 trlgG= -0.144427 logG= -0.028138 TDE= -0.169145 logGD-logG0= -0.005651 tlogG= -0.024122 logG= -0.029772 Density= 0.107797 ETOT(band)= -0.115861 trlgG= -0.146599 logG= -0.029772 TDE= -0.170170 logGD-logG0= -0.005287 tlogG= -0.024110 logG= -0.029397 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107397 ETOT(band)= -0.115800 trlgG= -0.146098 logG= -0.029397 TDE= -0.169847 logGD-logG0= -0.004987 tlogG= -0.023028 logG= -0.028015 Density= 0.106942 ETOT(band)= -0.115227 trlgG= -0.144133 logG= -0.028015 TDE= -0.169039 Density= 0.107031 ETOT(band)= -0.115670 trlgG= -0.145228 logG= -0.028947 TDE= -0.169245 logGD-logG0= -0.005128 tlogG= -0.023709 logG= -0.028837 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107870 ETOT(band)= -0.115782 trlgG= -0.146488 logG= -0.029699 TDE= -0.170168 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107406 ETOT(band)= -0.115492 trlgG= -0.145360 logG= -0.028837 TDE= -0.169673 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.024072 logG= -0.029253 logGD-logG0= -0.005525 tlogG= -0.023985 logG= -0.029510 logGD-logG0= -0.004989 tlogG= -0.023549 logG= -0.028539 Density= 0.106842 ETOT(band)= -0.115538 trlgG= -0.144926 logG= -0.028539 TDE= -0.169258 logGD-logG0= -0.005491 tlogG= -0.023854 logG= -0.029344 logGD-logG0= -0.005012 tlogG= -0.023692 logG= -0.028704 Density= 0.107021 ETOT(band)= -0.115583 trlgG= -0.145411 logG= -0.028704 TDE= -0.169667 Density= 0.107458 ETOT(band)= -0.115828 trlgG= -0.146117 logG= -0.029510 TDE= -0.169783 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.023216 logG= -0.028658 Density= 0.108178 ETOT(band)= -0.115039 trlgG= -0.144842 logG= -0.028658 TDE= -0.169716 Density= 0.107092 ETOT(band)= -0.115839 trlgG= -0.146086 logG= -0.029253 TDE= -0.169827 Density= 0.108210 ETOT(band)= -0.115397 trlgG= -0.145924 logG= -0.029344 TDE= -0.170127 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.022444 logG= -0.027758 Density= 0.107673 ETOT(band)= -0.114753 trlgG= -0.143390 logG= -0.027758 TDE= -0.168915 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.022884 logG= -0.028049 Density= 0.107772 ETOT(band)= -0.114890 trlgG= -0.143922 logG= -0.028049 TDE= -0.169204 logGD-logG0= -0.005366 tlogG= -0.022748 logG= -0.028114 logGD-logG0= -0.005485 tlogG= -0.023594 logG= -0.029079 logGD-logG0= -0.001342 tlogG= -0.005750 logG= -0.007092 Density= 0.108242 ETOT(band)= -0.114710 trlgG= -0.143989 logG= -0.028114 TDE= -0.169439 Density= 0.108175 ETOT(band)= -0.115266 trlgG= -0.145502 logG= -0.029079 TDE= -0.169953 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080650 ETOT(band)= -0.086486 trlgG= -0.108832 logG= -0.007092 TDE= -0.042402 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.022920 logG= -0.028316 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005638 tlogG= -0.023839 logG= -0.029477 Density= 0.107899 ETOT(band)= -0.115617 trlgG= -0.146122 logG= -0.029477 TDE= -0.170039 Density= 0.107647 ETOT(band)= -0.115085 trlgG= -0.144267 logG= -0.028316 TDE= -0.169220 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005571 tlogG= -0.023255 logG= -0.028827 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107698 ETOT(band)= -0.115340 trlgG= -0.145070 logG= -0.028827 TDE= -0.169538 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005629 tlogG= -0.024021 logG= -0.029650 logGD-logG0= -0.010383 tlogG= -0.048259 logG= -0.058641 Density= 0.107925 ETOT(band)= -0.115722 trlgG= -0.146411 logG= -0.029650 TDE= -0.170167 Density= 0.214456 ETOT(band)= -0.231657 trlgG= -0.292277 logG= -0.058641 TDE= -0.339759 logGD-logG0= -0.005668 tlogG= -0.023553 logG= -0.029222 Density= 0.107798 ETOT(band)= -0.115512 trlgG= -0.145701 logG= -0.029222 TDE= -0.169823 logGD-logG0= -0.010029 tlogG= -0.047468 logG= -0.057497 Density= 0.214385 ETOT(band)= -0.231080 trlgG= -0.290837 logG= -0.057497 TDE= -0.339428 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010363 tlogG= -0.045625 logG= -0.055988 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010527 tlogG= -0.047908 logG= -0.058435 Density= 0.214054 ETOT(band)= -0.231664 trlgG= -0.291926 logG= -0.058435 TDE= -0.339415 Density= 0.214476 ETOT(band)= -0.230173 trlgG= -0.288085 logG= -0.055988 TDE= -0.338230 logGD-logG0= -0.011044 tlogG= -0.048128 logG= -0.059172 logGD-logG0= -0.010287 tlogG= -0.047288 logG= -0.057575 Density= 0.215085 ETOT(band)= -0.231686 trlgG= -0.292508 logG= -0.059172 TDE= -0.339770 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213895 ETOT(band)= -0.231253 trlgG= -0.290458 logG= -0.057575 TDE= -0.338728 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009618 tlogG= -0.047711 logG= -0.057330 logGD-logG0= -0.010251 tlogG= -0.047172 logG= -0.057423 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011090 tlogG= -0.047787 logG= -0.058877 Density= 0.214797 ETOT(band)= -0.231610 trlgG= -0.291978 logG= -0.058877 TDE= -0.339392 logGD-logG0= -0.010005 tlogG= -0.048053 logG= -0.058058 Density= 0.213876 ETOT(band)= -0.231211 trlgG= -0.290660 logG= -0.057423 TDE= -0.339074 Density= 0.213400 ETOT(band)= -0.231678 trlgG= -0.291386 logG= -0.058058 TDE= -0.338929 logGD-logG0= -0.010091 tlogG= -0.045808 logG= -0.055898 Density= 0.213077 ETOT(band)= -0.231449 trlgG= -0.290795 logG= -0.057330 TDE= -0.338906 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215090 ETOT(band)= -0.229870 trlgG= -0.287962 logG= -0.055898 TDE= -0.338500 logGD-logG0= -0.010641 tlogG= -0.048059 logG= -0.058700 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001739 tlogG= -0.007006 logG= -0.008744 Density= 0.036191 ETOT(band)= -0.037749 trlgG= -0.046938 logG= -0.008744 TDE= -0.056103 logGD-logG0= -0.011321 tlogG= -0.047468 logG= -0.058788 Density= 0.214584 ETOT(band)= -0.231613 trlgG= -0.292050 logG= -0.058700 TDE= -0.339536 Density= 0.215681 ETOT(band)= -0.231190 trlgG= -0.291963 logG= -0.058788 TDE= -0.339905 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010879 tlogG= -0.048041 logG= -0.058920 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215091 ETOT(band)= -0.231539 trlgG= -0.292095 logG= -0.058920 TDE= -0.339613 logGD-logG0= -0.001791 tlogG= -0.007319 logG= -0.009110 Density= 0.035860 ETOT(band)= -0.038170 trlgG= -0.047562 logG= -0.009110 TDE= -0.056198 logGD-logG0= -0.010838 tlogG= -0.047484 logG= -0.058322 logGD-logG0= -0.011112 tlogG= -0.048074 logG= -0.059186 logGD-logG0= -0.005371 tlogG= -0.023963 logG= -0.029334 Density= 0.215120 ETOT(band)= -0.231677 trlgG= -0.292533 logG= -0.059186 TDE= -0.339799 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214342 ETOT(band)= -0.231468 trlgG= -0.291180 logG= -0.058322 TDE= -0.338925 logGD-logG0= -0.010948 tlogG= -0.047830 logG= -0.058778 Density= 0.214408 ETOT(band)= -0.231607 trlgG= -0.291718 logG= -0.029334 TDE= -0.169694 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011256 tlogG= -0.047874 logG= -0.059130 Density= 0.215857 ETOT(band)= -0.231320 trlgG= -0.292536 logG= -0.059130 TDE= -0.340222 Density= 0.214703 ETOT(band)= -0.231595 trlgG= -0.291834 logG= -0.058778 TDE= -0.339302 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011306 tlogG= -0.047819 logG= -0.059125 logGD-logG0= -0.011208 tlogG= -0.048226 logG= -0.059434 Density= 0.215738 ETOT(band)= -0.231379 trlgG= -0.292517 logG= -0.059125 TDE= -0.340150 logGD-logG0= -0.010740 tlogG= -0.046496 logG= -0.057236 logGD-logG0= -0.011115 tlogG= -0.047522 logG= -0.058638 Density= 0.215467 ETOT(band)= -0.231209 trlgG= -0.291698 logG= -0.058638 TDE= -0.339684 Density= 0.215412 ETOT(band)= -0.231722 trlgG= -0.292987 logG= -0.059434 TDE= -0.340150 logGD-logG0= -0.010454 tlogG= -0.045714 logG= -0.056168 Density= 0.215264 ETOT(band)= -0.230522 trlgG= -0.289472 logG= -0.057236 TDE= -0.338760 Density= 0.215221 ETOT(band)= -0.229954 trlgG= -0.287968 logG= -0.056168 TDE= -0.338303 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.023253 logG= -0.028335 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023836 logG= -0.028966 Density= 0.213681 ETOT(band)= -0.231604 trlgG= -0.291557 logG= -0.028966 TDE= -0.169669 logGD-logG0= -0.010372 tlogG= -0.047259 logG= -0.057631 logGD-logG0= -0.002575 tlogG= -0.010450 logG= -0.013025 Density= 0.054363 ETOT(band)= -0.056513 trlgG= -0.070239 logG= -0.013025 TDE= -0.084116 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.047223 logG= -0.057879 Density= 0.213626 ETOT(band)= -0.231072 trlgG= -0.290055 logG= -0.028335 TDE= -0.169374 Density= 0.214551 ETOT(band)= -0.231053 trlgG= -0.290631 logG= -0.057631 TDE= -0.339171 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215186 ETOT(band)= -0.230918 trlgG= -0.290495 logG= -0.057879 TDE= -0.339101 logGD-logG0= -0.011153 tlogG= -0.046989 logG= -0.058143 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215444 ETOT(band)= -0.230932 trlgG= -0.290912 logG= -0.058143 TDE= -0.339382 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010625 tlogG= -0.047810 logG= -0.058435 Density= 0.214040 ETOT(band)= -0.231650 trlgG= -0.291680 logG= -0.058435 TDE= -0.339164 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.021906 logG= -0.027230 Density= 0.108318 ETOT(band)= -0.114089 trlgG= -0.142533 logG= -0.027230 TDE= -0.168904 logGD-logG0= -0.004820 tlogG= -0.024017 logG= -0.028836 Density= 0.212957 ETOT(band)= -0.231673 trlgG= -0.291399 logG= -0.028836 TDE= -0.169517 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005239 tlogG= -0.021604 logG= -0.026842 Density= 0.108498 ETOT(band)= -0.113738 trlgG= -0.141877 logG= -0.026842 TDE= -0.168725 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005165 tlogG= -0.021036 logG= -0.026201 Density= 0.108683 ETOT(band)= -0.113168 trlgG= -0.140750 logG= -0.026201 TDE= -0.168331 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001307 tlogG= -0.005477 logG= -0.006785 logGD-logG0= -0.005409 tlogG= -0.022488 logG= -0.027897 Density= 0.081200 ETOT(band)= -0.085486 trlgG= -0.106644 logG= -0.006785 TDE= -0.042236 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216369 ETOT(band)= -0.228941 trlgG= -0.286648 logG= -0.027897 TDE= -0.169192 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.021852 logG= -0.027240 Density= 0.107822 ETOT(band)= -0.114338 trlgG= -0.142548 logG= -0.027240 TDE= -0.168664 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005111 tlogG= -0.022355 logG= -0.027466 Density= 0.215104 ETOT(band)= -0.229524 trlgG= -0.287060 logG= -0.027466 TDE= -0.168907 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010656 tlogG= -0.043475 logG= -0.054130 Density= 0.216297 ETOT(band)= -0.228132 trlgG= -0.284519 logG= -0.054130 TDE= -0.337423 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005334 tlogG= -0.021729 logG= -0.027064 Density= 0.107956 ETOT(band)= -0.114156 trlgG= -0.142254 logG= -0.027064 TDE= -0.168613 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004753 tlogG= -0.023617 logG= -0.028370 Density= 0.212783 ETOT(band)= -0.231390 trlgG= -0.290614 logG= -0.028370 TDE= -0.169365 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.023934 logG= -0.028782 Density= 0.213425 ETOT(band)= -0.231299 trlgG= -0.290435 logG= -0.028782 TDE= -0.169470 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005185 logG= -0.006457 Density= 0.062559 ETOT(band)= -0.066827 trlgG= -0.083622 logG= -0.006457 TDE= -0.042028 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005260 tlogG= -0.022315 logG= -0.027575 Density= 0.214383 ETOT(band)= -0.229957 trlgG= -0.287354 logG= -0.027575 TDE= -0.168813 logGD-logG0= -0.001669 tlogG= -0.007602 logG= -0.009271 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.071539 ETOT(band)= -0.076522 trlgG= -0.095472 logG= -0.009271 TDE= -0.056294 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005404 tlogG= -0.021911 logG= -0.027315 Density= 0.216621 ETOT(band)= -0.227977 trlgG= -0.284554 logG= -0.027315 TDE= -0.168866 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005325 tlogG= -0.021385 logG= -0.026710 Density= 0.216996 ETOT(band)= -0.226903 trlgG= -0.282408 logG= -0.026710 TDE= -0.168546 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001521 tlogG= -0.007972 logG= -0.009494 Density= 0.070923 ETOT(band)= -0.077082 trlgG= -0.096742 logG= -0.009494 TDE= -0.056514 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004556 tlogG= -0.024155 logG= -0.028711 Density= 0.212342 ETOT(band)= -0.231736 trlgG= -0.291527 logG= -0.028711 TDE= -0.169636 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001360 tlogG= -0.005855 logG= -0.007214 Density= 0.080656 ETOT(band)= -0.086701 trlgG= -0.109383 logG= -0.007214 TDE= -0.042464 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001367 tlogG= -0.005936 logG= -0.007303 Density= 0.080826 ETOT(band)= -0.086751 trlgG= -0.109553 logG= -0.007303 TDE= -0.042516 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001319 tlogG= -0.005626 logG= -0.006945 Density= 0.080853 ETOT(band)= -0.086072 trlgG= -0.107852 logG= -0.006945 TDE= -0.042330 logGD-logG0= -0.001696 tlogG= -0.006892 logG= -0.008588 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023768 logG= -0.028464 Density= 0.213245 ETOT(band)= -0.231016 trlgG= -0.289668 logG= -0.028464 TDE= -0.169446 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040832 ETOT(band)= -0.042261 trlgG= -0.052467 logG= -0.008588 TDE= -0.056021 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005586 tlogG= -0.023970 logG= -0.029556 Density= 0.215659 ETOT(band)= -0.231471 trlgG= -0.292660 logG= -0.029556 TDE= -0.170156 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001367 tlogG= -0.005980 logG= -0.007346 Density= 0.081039 ETOT(band)= -0.086674 trlgG= -0.109632 logG= -0.007346 TDE= -0.042545 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.022963 logG= -0.028187 Density= 0.214894 ETOT(band)= -0.229951 trlgG= -0.287601 logG= -0.028187 TDE= -0.169082 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005615 tlogG= -0.023771 logG= -0.029386 Density= 0.215335 ETOT(band)= -0.231351 trlgG= -0.292077 logG= -0.029386 TDE= -0.170006 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005522 tlogG= -0.023539 logG= -0.029061 Density= 0.215241 ETOT(band)= -0.230910 trlgG= -0.290813 logG= -0.029061 TDE= -0.169755 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005551 tlogG= -0.023972 logG= -0.029523 Density= 0.216284 ETOT(band)= -0.231018 trlgG= -0.292280 logG= -0.029523 TDE= -0.170179 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.021243 logG= -0.026529 Density= 0.216366 ETOT(band)= -0.227710 trlgG= -0.283594 logG= -0.026529 TDE= -0.168456 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005357 tlogG= -0.023877 logG= -0.029234 Density= 0.215487 ETOT(band)= -0.231358 trlgG= -0.292113 logG= -0.029234 TDE= -0.169695 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.024014 logG= -0.029082 Density= 0.321652 ETOT(band)= -0.347377 trlgG= -0.438171 logG= -0.029082 TDE= -0.169859 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.024175 logG= -0.029510 Density= 0.322472 ETOT(band)= -0.347554 trlgG= -0.438752 logG= -0.029510 TDE= -0.169874 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011059 tlogG= -0.046468 logG= -0.057527 Density= 0.323992 ETOT(band)= -0.345357 trlgG= -0.434471 logG= -0.057527 TDE= -0.339280 logGD-logG0= -0.005667 tlogG= -0.024087 logG= -0.029754 Density= 0.215687 ETOT(band)= -0.231622 trlgG= -0.293060 logG= -0.029754 TDE= -0.170172 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004985 tlogG= -0.023384 logG= -0.028369 Density= 0.321745 ETOT(band)= -0.346343 trlgG= -0.435622 logG= -0.028369 TDE= -0.169543 logGD-logG0= -0.005139 tlogG= -0.023954 logG= -0.029093 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213898 ETOT(band)= -0.231481 trlgG= -0.290852 logG= -0.029093 TDE= -0.169415 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011246 tlogG= -0.048112 logG= -0.059357 logGD-logG0= -0.011126 tlogG= -0.047735 logG= -0.058861 Density= 0.323226 ETOT(band)= -0.347376 trlgG= -0.439073 logG= -0.059357 TDE= -0.340145 Density= 0.324265 ETOT(band)= -0.346417 trlgG= -0.437903 logG= -0.058861 TDE= -0.340200 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011157 tlogG= -0.047196 logG= -0.058353 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005544 tlogG= -0.023932 logG= -0.029475 Density= 0.216318 ETOT(band)= -0.230919 trlgG= -0.292057 logG= -0.029475 TDE= -0.170155 Density= 0.324085 ETOT(band)= -0.346031 trlgG= -0.436548 logG= -0.058353 TDE= -0.339818 logGD-logG0= -0.005312 tlogG= -0.024166 logG= -0.029478 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214777 ETOT(band)= -0.231708 trlgG= -0.292362 logG= -0.029478 TDE= -0.169874 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010736 tlogG= -0.045739 logG= -0.056474 Density= 0.324074 ETOT(band)= -0.344409 trlgG= -0.431890 logG= -0.056474 TDE= -0.338684 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.024011 logG= -0.029047 logGD-logG0= -0.005555 tlogG= -0.023402 logG= -0.028957 Density= 0.216173 ETOT(band)= -0.230321 trlgG= -0.290143 logG= -0.028957 TDE= -0.169785 logGD-logG0= -0.005714 tlogG= -0.023868 logG= -0.029582 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215625 ETOT(band)= -0.231376 trlgG= -0.292397 logG= -0.029582 TDE= -0.170001 Density= 0.214192 ETOT(band)= -0.231581 trlgG= -0.291993 logG= -0.029047 TDE= -0.169858 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005523 tlogG= -0.024119 logG= -0.029643 Density= 0.323051 ETOT(band)= -0.347565 trlgG= -0.439347 logG= -0.029643 TDE= -0.169982 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.023383 logG= -0.028338 Density= 0.214270 ETOT(band)= -0.230879 trlgG= -0.290223 logG= -0.028338 TDE= -0.169546 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005558 tlogG= -0.023741 logG= -0.029299 Density= 0.216227 ETOT(band)= -0.230711 trlgG= -0.291347 logG= -0.029299 TDE= -0.170016 logGD-logG0= -0.005508 tlogG= -0.022974 logG= -0.028482 logGD-logG0= -0.005312 tlogG= -0.023288 logG= -0.028600 Density= 0.216224 ETOT(band)= -0.229743 trlgG= -0.288547 logG= -0.028482 TDE= -0.169510 Density= 0.321808 ETOT(band)= -0.346849 trlgG= -0.436404 logG= -0.028600 TDE= -0.169452 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005319 logG= -0.006608 logGD-logG0= -0.005700 tlogG= -0.023926 logG= -0.029626 Density= 0.323614 ETOT(band)= -0.347096 trlgG= -0.438886 logG= -0.029626 TDE= -0.170048 Density= 0.081536 ETOT(band)= -0.084848 trlgG= -0.105528 logG= -0.006608 TDE= -0.042127 logGD-logG0= -0.001805 tlogG= -0.007126 logG= -0.008931 Density= 0.072230 ETOT(band)= -0.075712 trlgG= -0.094207 logG= -0.008931 TDE= -0.056172 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005664 tlogG= -0.023439 logG= -0.029103 Density= 0.215149 ETOT(band)= -0.230929 trlgG= -0.290536 logG= -0.029103 TDE= -0.169534 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005752 tlogG= -0.023662 logG= -0.029414 Density= 0.215413 ETOT(band)= -0.231211 trlgG= -0.291686 logG= -0.029414 TDE= -0.169824 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010726 tlogG= -0.048170 logG= -0.058897 Density= 0.429389 ETOT(band)= -0.463335 trlgG= -0.584274 logG= -0.058897 TDE= -0.339591 logGD-logG0= -0.009959 tlogG= -0.046806 logG= -0.056765 Density= 0.428143 ETOT(band)= -0.461110 trlgG= -0.577595 logG= -0.056765 TDE= -0.338478 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005402 tlogG= -0.023273 logG= -0.028676 Density= 0.214944 ETOT(band)= -0.230509 trlgG= -0.289067 logG= -0.028676 TDE= -0.169221 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047850 logG= -0.058081 Density= 0.428202 ETOT(band)= -0.463131 trlgG= -0.583559 logG= -0.058081 TDE= -0.339524 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.021341 logG= -0.026584 Density= 0.162615 ETOT(band)= -0.171272 trlgG= -0.214468 logG= -0.026584 TDE= -0.168539 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010397 tlogG= -0.047887 logG= -0.058285 logGD-logG0= -0.010271 tlogG= -0.046655 logG= -0.056927 Density= 0.322792 ETOT(band)= -0.345376 trlgG= -0.433364 logG= -0.056927 TDE= -0.338918 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429240 ETOT(band)= -0.462985 trlgG= -0.583654 logG= -0.058285 TDE= -0.339543 logGD-logG0= -0.011202 tlogG= -0.047810 logG= -0.059012 Density= 0.430754 ETOT(band)= -0.462708 trlgG= -0.583973 logG= -0.059012 TDE= -0.339797 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011413 tlogG= -0.047672 logG= -0.059084 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011043 tlogG= -0.048131 logG= -0.059173 Density= 0.430176 ETOT(band)= -0.463226 trlgG= -0.584599 logG= -0.059173 TDE= -0.339766 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431069 ETOT(band)= -0.462685 trlgG= -0.584371 logG= -0.059084 TDE= -0.339909 logGD-logG0= -0.010704 tlogG= -0.047813 logG= -0.058517 Density= 0.428457 ETOT(band)= -0.463133 trlgG= -0.582907 logG= -0.058517 TDE= -0.339164 logGD-logG0= -0.009451 tlogG= -0.048169 logG= -0.057620 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425844 ETOT(band)= -0.463143 trlgG= -0.582258 logG= -0.057620 TDE= -0.339131 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010845 tlogG= -0.048265 logG= -0.059110 logGD-logG0= -0.010064 tlogG= -0.047892 logG= -0.057956 Density= 0.427419 ETOT(band)= -0.462833 trlgG= -0.581589 logG= -0.057956 TDE= -0.338837 Density= 0.430072 ETOT(band)= -0.463387 trlgG= -0.584930 logG= -0.059110 TDE= -0.339656 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010885 tlogG= -0.047989 logG= -0.058874 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429302 ETOT(band)= -0.463287 trlgG= -0.583918 logG= -0.058874 TDE= -0.339404 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010105 tlogG= -0.047780 logG= -0.057885 Density= 0.426921 ETOT(band)= -0.463246 trlgG= -0.582644 logG= -0.057885 TDE= -0.339033 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.046636 logG= -0.056737 logGD-logG0= -0.011362 tlogG= -0.047971 logG= -0.059332 Density= 0.428298 ETOT(band)= -0.461843 trlgG= -0.580203 logG= -0.056737 TDE= -0.338912 Density= 0.431282 ETOT(band)= -0.462975 trlgG= -0.585356 logG= -0.059332 TDE= -0.340169 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010576 tlogG= -0.047581 logG= -0.058158 Density= 0.428767 ETOT(band)= -0.462504 trlgG= -0.582007 logG= -0.058158 TDE= -0.339223 logGD-logG0= -0.010513 tlogG= -0.046442 logG= -0.056955 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429701 ETOT(band)= -0.460653 trlgG= -0.577414 logG= -0.056955 TDE= -0.338626 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010804 tlogG= -0.047627 logG= -0.058431 Density= 0.430085 ETOT(band)= -0.462249 trlgG= -0.581832 logG= -0.058431 TDE= -0.339248 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011265 tlogG= -0.047346 logG= -0.058611 Density= 0.430523 ETOT(band)= -0.462271 trlgG= -0.582512 logG= -0.058611 TDE= -0.339421 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010877 tlogG= -0.046992 logG= -0.057869 Density= 0.429995 ETOT(band)= -0.461595 trlgG= -0.579899 logG= -0.057869 TDE= -0.338818 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.022361 logG= -0.027509 Density= 0.322965 ETOT(band)= -0.344361 trlgG= -0.430992 logG= -0.027509 TDE= -0.168904 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005208 tlogG= -0.022524 logG= -0.027732 Density= 0.215117 ETOT(band)= -0.229227 trlgG= -0.286011 logG= -0.027732 TDE= -0.168825 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010622 tlogG= -0.044718 logG= -0.055340 Density= 0.324294 ETOT(band)= -0.343144 trlgG= -0.429034 logG= -0.055340 TDE= -0.338037 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010438 tlogG= -0.044684 logG= -0.055123 Density= 0.431696 ETOT(band)= -0.457339 trlgG= -0.570775 logG= -0.055123 TDE= -0.337723 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.422688976177 eV TrLogG= -404.361769747717 eV Ratio to renormalize= 0.999825000246 rho-rho_expected= 0.003850668456 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962325340654100 0.935702550385411 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002477 tlogG= -0.011889 logG= -0.014367 Density= 0.053581 ETOT(band)= -0.057781 trlgG= -0.072741 logG= -0.014367 TDE= -0.084888 logGD-logG0= -0.002489 tlogG= -0.011460 logG= -0.013949 Density= 0.053755 ETOT(band)= -0.057464 trlgG= -0.071994 logG= -0.013949 TDE= -0.084646 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002750 tlogG= -0.012044 logG= -0.014794 Density= 0.053768 ETOT(band)= -0.057928 trlgG= -0.073132 logG= -0.014794 TDE= -0.084945 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.024091 logG= -0.028884 logGD-logG0= -0.000210 tlogG= -0.000855 logG= -0.001065 Density= 0.004541 ETOT(band)= -0.004688 trlgG= -0.005816 logG= -0.001065 TDE= -0.006998 Density= 0.106466 ETOT(band)= -0.115859 trlgG= -0.145757 logG= -0.028884 TDE= -0.169558 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005534 tlogG= -0.023750 logG= -0.029284 Density= 0.107265 ETOT(band)= -0.115769 trlgG= -0.145725 logG= -0.029284 TDE= -0.169521 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023721 logG= -0.028951 Density= 0.107033 ETOT(band)= -0.115679 trlgG= -0.145240 logG= -0.028951 TDE= -0.169255 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023220 logG= -0.028662 logGD-logG0= -0.005181 tlogG= -0.024076 logG= -0.029257 Density= 0.107094 ETOT(band)= -0.115848 trlgG= -0.146100 logG= -0.029257 TDE= -0.169838 Density= 0.108181 ETOT(band)= -0.115048 trlgG= -0.144856 logG= -0.028662 TDE= -0.169727 logGD-logG0= -0.005012 tlogG= -0.023696 logG= -0.028708 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001494 tlogG= -0.008051 logG= -0.009545 Density= 0.035342 ETOT(band)= -0.038636 trlgG= -0.048610 logG= -0.009545 TDE= -0.056554 Density= 0.107023 ETOT(band)= -0.115592 trlgG= -0.145425 logG= -0.028708 TDE= -0.169677 logGD-logG0= -0.002743 tlogG= -0.011977 logG= -0.014719 logGD-logG0= -0.004929 tlogG= -0.023722 logG= -0.028652 Density= 0.106667 ETOT(band)= -0.115682 trlgG= -0.145289 logG= -0.028652 TDE= -0.169422 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007821 logG= -0.009400 Density= 0.035520 ETOT(band)= -0.038498 trlgG= -0.048258 logG= -0.009400 TDE= -0.056436 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054117 ETOT(band)= -0.057723 trlgG= -0.073042 logG= -0.014719 TDE= -0.085102 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.022753 logG= -0.028118 logGD-logG0= -0.005396 tlogG= -0.022924 logG= -0.028320 Density= 0.107649 ETOT(band)= -0.115094 trlgG= -0.144281 logG= -0.028320 TDE= -0.169231 logGD-logG0= -0.002571 tlogG= -0.012086 logG= -0.014657 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053599 ETOT(band)= -0.057925 trlgG= -0.073101 logG= -0.014657 TDE= -0.084967 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108245 ETOT(band)= -0.114719 trlgG= -0.144002 logG= -0.028118 TDE= -0.169449 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023969 logG= -0.029097 Density= 0.106815 ETOT(band)= -0.115845 trlgG= -0.145819 logG= -0.029097 TDE= -0.169579 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.022873 logG= -0.027925 logGD-logG0= -0.005571 tlogG= -0.023259 logG= -0.028830 Density= 0.107701 ETOT(band)= -0.115349 trlgG= -0.145083 logG= -0.028830 TDE= -0.169549 logGD-logG0= -0.005504 tlogG= -0.023934 logG= -0.029438 Density= 0.107346 ETOT(band)= -0.115012 trlgG= -0.144026 logG= -0.027925 TDE= -0.169221 Density= 0.108192 ETOT(band)= -0.115467 trlgG= -0.146081 logG= -0.029438 TDE= -0.170182 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005562 tlogG= -0.024107 logG= -0.029670 Density= 0.107644 ETOT(band)= -0.115863 trlgG= -0.146414 logG= -0.029670 TDE= -0.170012 logGD-logG0= -0.004583 tlogG= -0.024079 logG= -0.028663 Density= 0.106204 ETOT(band)= -0.115854 trlgG= -0.145717 logG= -0.028663 TDE= -0.169609 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002810 tlogG= -0.011974 logG= -0.014784 logGD-logG0= -0.005651 tlogG= -0.024052 logG= -0.029703 logGD-logG0= -0.005287 tlogG= -0.024114 logG= -0.029401 Density= 0.107872 ETOT(band)= -0.115790 trlgG= -0.146502 logG= -0.029703 TDE= -0.170179 Density= 0.053973 ETOT(band)= -0.057830 trlgG= -0.073141 logG= -0.014784 TDE= -0.085066 logGD-logG0= -0.004611 tlogG= -0.024004 logG= -0.028615 Density= 0.106255 ETOT(band)= -0.115815 trlgG= -0.145609 logG= -0.028615 TDE= -0.169574 logGD-logG0= -0.005651 tlogG= -0.024125 logG= -0.029776 Density= 0.107399 ETOT(band)= -0.115809 trlgG= -0.146112 logG= -0.029401 TDE= -0.169857 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107800 ETOT(band)= -0.115869 trlgG= -0.146613 logG= -0.029776 TDE= -0.170181 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023713 logG= -0.028841 Density= 0.107408 ETOT(band)= -0.115501 trlgG= -0.145374 logG= -0.028841 TDE= -0.169683 logGD-logG0= -0.005587 tlogG= -0.023952 logG= -0.029539 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005525 tlogG= -0.023989 logG= -0.029514 Density= 0.107748 ETOT(band)= -0.115739 trlgG= -0.146215 logG= -0.029539 TDE= -0.169995 Density= 0.107461 ETOT(band)= -0.115837 trlgG= -0.146131 logG= -0.029514 TDE= -0.169794 logGD-logG0= -0.004898 tlogG= -0.023244 logG= -0.028142 Density= 0.106814 ETOT(band)= -0.115356 trlgG= -0.144440 logG= -0.028142 TDE= -0.169155 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.022888 logG= -0.028053 Density= 0.107774 ETOT(band)= -0.114899 trlgG= -0.143935 logG= -0.028053 TDE= -0.169214 logGD-logG0= -0.005489 tlogG= -0.023859 logG= -0.029348 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108213 ETOT(band)= -0.115405 trlgG= -0.145938 logG= -0.029348 TDE= -0.170139 logGD-logG0= -0.004987 tlogG= -0.023032 logG= -0.028019 Density= 0.106944 ETOT(band)= -0.115235 trlgG= -0.144147 logG= -0.028019 TDE= -0.169049 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.023553 logG= -0.028543 Density= 0.106844 ETOT(band)= -0.115547 trlgG= -0.144939 logG= -0.028543 TDE= -0.169268 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005484 tlogG= -0.023599 logG= -0.029083 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108178 ETOT(band)= -0.115274 trlgG= -0.145515 logG= -0.029083 TDE= -0.169964 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002626 tlogG= -0.010862 logG= -0.013488 Density= 0.054069 ETOT(band)= -0.057009 trlgG= -0.071055 logG= -0.013488 TDE= -0.084324 logGD-logG0= -0.005637 tlogG= -0.023844 logG= -0.029481 logGD-logG0= -0.005628 tlogG= -0.024026 logG= -0.029654 Density= 0.107902 ETOT(band)= -0.115625 trlgG= -0.146136 logG= -0.029481 TDE= -0.170050 Density= 0.107928 ETOT(band)= -0.115730 trlgG= -0.146425 logG= -0.029654 TDE= -0.170179 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010382 tlogG= -0.048267 logG= -0.058649 Density= 0.214461 ETOT(band)= -0.231674 trlgG= -0.292304 logG= -0.058649 TDE= -0.339781 logGD-logG0= -0.005667 tlogG= -0.023558 logG= -0.029226 Density= 0.107800 ETOT(band)= -0.115520 trlgG= -0.145715 logG= -0.029226 TDE= -0.169834 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009619 tlogG= -0.047718 logG= -0.057337 Density= 0.213081 ETOT(band)= -0.231467 trlgG= -0.290821 logG= -0.057337 TDE= -0.338927 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.047180 logG= -0.057431 Density= 0.213880 ETOT(band)= -0.231228 trlgG= -0.290687 logG= -0.057431 TDE= -0.339095 logGD-logG0= -0.010363 tlogG= -0.045633 logG= -0.055995 logGD-logG0= -0.010288 tlogG= -0.047295 logG= -0.057583 Density= 0.213899 ETOT(band)= -0.231271 trlgG= -0.290485 logG= -0.057583 TDE= -0.338750 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214480 ETOT(band)= -0.230190 trlgG= -0.288111 logG= -0.055995 TDE= -0.338251 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.048059 logG= -0.058066 Density= 0.213405 ETOT(band)= -0.231695 trlgG= -0.291412 logG= -0.058066 TDE= -0.338949 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010090 tlogG= -0.045816 logG= -0.055906 Density= 0.215094 ETOT(band)= -0.229887 trlgG= -0.287988 logG= -0.055906 TDE= -0.338521 logGD-logG0= -0.010878 tlogG= -0.048049 logG= -0.058927 logGD-logG0= -0.010640 tlogG= -0.048068 logG= -0.058708 Density= 0.214589 ETOT(band)= -0.231630 trlgG= -0.292076 logG= -0.058708 TDE= -0.339558 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215096 ETOT(band)= -0.231556 trlgG= -0.292122 logG= -0.058927 TDE= -0.339636 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011090 tlogG= -0.047795 logG= -0.058885 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214802 ETOT(band)= -0.231627 trlgG= -0.292006 logG= -0.058885 TDE= -0.339415 logGD-logG0= -0.001791 tlogG= -0.007320 logG= -0.009111 Density= 0.035861 ETOT(band)= -0.038173 trlgG= -0.047566 logG= -0.009111 TDE= -0.056201 logGD-logG0= -0.011112 tlogG= -0.048082 logG= -0.059194 Density= 0.215125 ETOT(band)= -0.231694 trlgG= -0.292561 logG= -0.059194 TDE= -0.339821 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005319 tlogG= -0.022207 logG= -0.027526 logGD-logG0= -0.001738 tlogG= -0.007007 logG= -0.008746 Density= 0.036191 ETOT(band)= -0.037752 trlgG= -0.046942 logG= -0.008746 TDE= -0.056106 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108345 ETOT(band)= -0.114271 trlgG= -0.143029 logG= -0.027526 TDE= -0.169118 logGD-logG0= -0.010948 tlogG= -0.047838 logG= -0.058786 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214708 ETOT(band)= -0.231612 trlgG= -0.291861 logG= -0.058786 TDE= -0.339324 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010627 tlogG= -0.047816 logG= -0.058442 Density= 0.214045 ETOT(band)= -0.231667 trlgG= -0.291707 logG= -0.058442 TDE= -0.339185 logGD-logG0= -0.011304 tlogG= -0.047829 logG= -0.059132 Density= 0.215743 ETOT(band)= -0.231396 trlgG= -0.292545 logG= -0.059132 TDE= -0.340173 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011208 tlogG= -0.048234 logG= -0.059442 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215418 ETOT(band)= -0.231739 trlgG= -0.293015 logG= -0.059442 TDE= -0.340172 logGD-logG0= -0.002574 tlogG= -0.010452 logG= -0.013027 Density= 0.054364 ETOT(band)= -0.056517 trlgG= -0.070245 logG= -0.013027 TDE= -0.084121 logGD-logG0= -0.011115 tlogG= -0.047530 logG= -0.058645 Density= 0.215472 ETOT(band)= -0.231226 trlgG= -0.291726 logG= -0.058645 TDE= -0.339707 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.045722 logG= -0.056175 Density= 0.215226 ETOT(band)= -0.229970 trlgG= -0.287994 logG= -0.056175 TDE= -0.338324 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010740 tlogG= -0.046503 logG= -0.057243 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215269 ETOT(band)= -0.230539 trlgG= -0.289499 logG= -0.057243 TDE= -0.338782 logGD-logG0= -0.010371 tlogG= -0.047268 logG= -0.057639 Density= 0.214556 ETOT(band)= -0.231070 trlgG= -0.290657 logG= -0.057639 TDE= -0.339192 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.047231 logG= -0.057886 Density= 0.215191 ETOT(band)= -0.230935 trlgG= -0.290522 logG= -0.057886 TDE= -0.339122 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.021911 logG= -0.027233 Density= 0.108320 ETOT(band)= -0.114097 trlgG= -0.142546 logG= -0.027233 TDE= -0.168915 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005238 tlogG= -0.021608 logG= -0.026846 Density= 0.108501 ETOT(band)= -0.113746 trlgG= -0.141890 logG= -0.026846 TDE= -0.168736 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005164 tlogG= -0.021040 logG= -0.026204 Density= 0.108686 ETOT(band)= -0.113176 trlgG= -0.140762 logG= -0.026204 TDE= -0.168342 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010028 tlogG= -0.047477 logG= -0.057505 Density= 0.214390 ETOT(band)= -0.231098 trlgG= -0.290864 logG= -0.057505 TDE= -0.339450 logGD-logG0= -0.010526 tlogG= -0.047917 logG= -0.058442 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214059 ETOT(band)= -0.231682 trlgG= -0.291952 logG= -0.058442 TDE= -0.339437 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.022448 logG= -0.027761 Density= 0.107676 ETOT(band)= -0.114762 trlgG= -0.143404 logG= -0.027761 TDE= -0.168926 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.021856 logG= -0.027243 Density= 0.107824 ETOT(band)= -0.114346 trlgG= -0.142561 logG= -0.027243 TDE= -0.168674 logGD-logG0= -0.010655 tlogG= -0.043482 logG= -0.054137 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216302 ETOT(band)= -0.228149 trlgG= -0.284545 logG= -0.054137 TDE= -0.337444 logGD-logG0= -0.005334 tlogG= -0.021733 logG= -0.027067 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107959 ETOT(band)= -0.114165 trlgG= -0.142267 logG= -0.027067 TDE= -0.168624 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005512 tlogG= -0.023751 logG= -0.029263 Density= 0.108149 ETOT(band)= -0.115388 trlgG= -0.145800 logG= -0.029263 TDE= -0.170055 logGD-logG0= -0.005496 tlogG= -0.023427 logG= -0.028923 Density= 0.108115 ETOT(band)= -0.115221 trlgG= -0.145264 logG= -0.028923 TDE= -0.169842 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010840 tlogG= -0.047490 logG= -0.058330 logGD-logG0= -0.005365 tlogG= -0.022481 logG= -0.027846 Density= 0.108208 ETOT(band)= -0.114577 trlgG= -0.143567 logG= -0.027846 TDE= -0.169268 Density= 0.214347 ETOT(band)= -0.231485 trlgG= -0.291207 logG= -0.058330 TDE= -0.338946 logGD-logG0= -0.011153 tlogG= -0.046997 logG= -0.058150 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215450 ETOT(band)= -0.230949 trlgG= -0.290939 logG= -0.058150 TDE= -0.339404 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.022992 logG= -0.028434 Density= 0.108132 ETOT(band)= -0.114948 trlgG= -0.144497 logG= -0.028434 TDE= -0.169572 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011253 tlogG= -0.047884 logG= -0.059138 Density= 0.215862 ETOT(band)= -0.231337 trlgG= -0.292563 logG= -0.059138 TDE= -0.340245 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001342 tlogG= -0.005751 logG= -0.007093 Density= 0.080652 ETOT(band)= -0.086492 trlgG= -0.108842 logG= -0.007093 TDE= -0.042405 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011044 tlogG= -0.048136 logG= -0.059180 Density= 0.215090 ETOT(band)= -0.231703 trlgG= -0.292536 logG= -0.059180 TDE= -0.339793 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001319 tlogG= -0.005627 logG= -0.006945 Density= 0.080854 ETOT(band)= -0.086078 trlgG= -0.107862 logG= -0.006945 TDE= -0.042332 logGD-logG0= -0.005585 tlogG= -0.023975 logG= -0.029560 Density= 0.215664 ETOT(band)= -0.231488 trlgG= -0.292687 logG= -0.029560 TDE= -0.170167 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005550 tlogG= -0.023977 logG= -0.029527 Density= 0.216290 ETOT(band)= -0.231034 trlgG= -0.292307 logG= -0.029527 TDE= -0.170190 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005522 tlogG= -0.023543 logG= -0.029065 Density= 0.215246 ETOT(band)= -0.230926 trlgG= -0.290840 logG= -0.029065 TDE= -0.169766 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005614 tlogG= -0.023776 logG= -0.029390 Density= 0.215341 ETOT(band)= -0.231368 trlgG= -0.292104 logG= -0.029390 TDE= -0.170017 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011318 tlogG= -0.047478 logG= -0.058796 Density= 0.215687 ETOT(band)= -0.231207 trlgG= -0.291990 logG= -0.058796 TDE= -0.339927 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023881 logG= -0.029237 Density= 0.215492 ETOT(band)= -0.231375 trlgG= -0.292140 logG= -0.029237 TDE= -0.169706 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001367 tlogG= -0.005937 logG= -0.007304 Density= 0.080828 ETOT(band)= -0.086757 trlgG= -0.109564 logG= -0.007304 TDE= -0.042519 logGD-logG0= -0.005371 tlogG= -0.023967 logG= -0.029338 Density= 0.214413 ETOT(band)= -0.231624 trlgG= -0.291745 logG= -0.029338 TDE= -0.169704 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.024020 logG= -0.028840 Density= 0.212962 ETOT(band)= -0.231691 trlgG= -0.291425 logG= -0.028840 TDE= -0.169527 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023957 logG= -0.029097 Density= 0.213902 ETOT(band)= -0.231498 trlgG= -0.290878 logG= -0.029097 TDE= -0.169425 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005553 tlogG= -0.023407 logG= -0.028960 Density= 0.216178 ETOT(band)= -0.230338 trlgG= -0.290170 logG= -0.028960 TDE= -0.169796 logGD-logG0= -0.005037 tlogG= -0.024015 logG= -0.029051 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214197 ETOT(band)= -0.231598 trlgG= -0.292020 logG= -0.029051 TDE= -0.169869 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011246 tlogG= -0.048119 logG= -0.059365 logGD-logG0= -0.005312 tlogG= -0.023292 logG= -0.028604 Density= 0.321815 ETOT(band)= -0.346875 trlgG= -0.436444 logG= -0.028604 TDE= -0.169464 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.023257 logG= -0.028338 Density= 0.323235 ETOT(band)= -0.347402 trlgG= -0.439114 logG= -0.059365 TDE= -0.340168 Density= 0.213630 ETOT(band)= -0.231090 trlgG= -0.290082 logG= -0.028338 TDE= -0.169385 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005507 tlogG= -0.022978 logG= -0.028486 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216229 ETOT(band)= -0.229760 trlgG= -0.288573 logG= -0.028486 TDE= -0.169521 logGD-logG0= -0.004954 tlogG= -0.023388 logG= -0.028342 Density= 0.214274 ETOT(band)= -0.230897 trlgG= -0.290250 logG= -0.028342 TDE= -0.169556 logGD-logG0= -0.005130 tlogG= -0.023841 logG= -0.028970 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213685 ETOT(band)= -0.231622 trlgG= -0.291584 logG= -0.028970 TDE= -0.169680 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023276 logG= -0.028679 Density= 0.214949 ETOT(band)= -0.230526 trlgG= -0.289094 logG= -0.028679 TDE= -0.169231 logGD-logG0= -0.005665 tlogG= -0.023442 logG= -0.029107 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215154 ETOT(band)= -0.230945 trlgG= -0.290563 logG= -0.029107 TDE= -0.169545 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001367 tlogG= -0.005981 logG= -0.007347 Density= 0.081041 ETOT(band)= -0.086680 trlgG= -0.109642 logG= -0.007347 TDE= -0.042548 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.046664 logG= -0.056934 Density= 0.322799 ETOT(band)= -0.345401 trlgG= -0.433403 logG= -0.056934 TDE= -0.338939 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001521 tlogG= -0.007973 logG= -0.009495 Density= 0.070924 ETOT(band)= -0.077088 trlgG= -0.096750 logG= -0.009495 TDE= -0.056517 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011043 tlogG= -0.048139 logG= -0.059181 Density= 0.430186 ETOT(band)= -0.463260 trlgG= -0.584655 logG= -0.059181 TDE= -0.339789 logGD-logG0= -0.010397 tlogG= -0.047896 logG= -0.058292 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429250 ETOT(band)= -0.463019 trlgG= -0.583707 logG= -0.058292 TDE= -0.339564 logGD-logG0= -0.005666 tlogG= -0.024092 logG= -0.029758 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215693 ETOT(band)= -0.231639 trlgG= -0.293088 logG= -0.029758 TDE= -0.170183 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011202 tlogG= -0.047818 logG= -0.059020 Density= 0.430765 ETOT(band)= -0.462742 trlgG= -0.584028 logG= -0.059020 TDE= -0.339820 logGD-logG0= -0.010845 tlogG= -0.048273 logG= -0.059118 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430083 ETOT(band)= -0.463421 trlgG= -0.584985 logG= -0.059118 TDE= -0.339678 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010885 tlogG= -0.047997 logG= -0.058882 Density= 0.429312 ETOT(band)= -0.463321 trlgG= -0.583971 logG= -0.058882 TDE= -0.339425 logGD-logG0= -0.011361 tlogG= -0.047979 logG= -0.059340 Density= 0.431293 ETOT(band)= -0.463008 trlgG= -0.585411 logG= -0.059340 TDE= -0.340191 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010576 tlogG= -0.047590 logG= -0.058165 Density= 0.428776 ETOT(band)= -0.462538 trlgG= -0.582061 logG= -0.058165 TDE= -0.339245 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001359 tlogG= -0.005856 logG= -0.007215 Density= 0.080658 ETOT(band)= -0.086708 trlgG= -0.109393 logG= -0.007215 TDE= -0.042467 logGD-logG0= -0.004556 tlogG= -0.024159 logG= -0.028715 Density= 0.212345 ETOT(band)= -0.231754 trlgG= -0.291553 logG= -0.028715 TDE= -0.169646 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.024018 logG= -0.029086 logGD-logG0= -0.010804 tlogG= -0.047635 logG= -0.058439 Density= 0.321660 ETOT(band)= -0.347402 trlgG= -0.438212 logG= -0.029086 TDE= -0.169869 Density= 0.430095 ETOT(band)= -0.462283 trlgG= -0.581884 logG= -0.058439 TDE= -0.339269 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005523 tlogG= -0.024123 logG= -0.029647 Density= 0.323059 ETOT(band)= -0.347590 trlgG= -0.439389 logG= -0.029647 TDE= -0.169993 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.024170 logG= -0.029482 Density= 0.214782 ETOT(band)= -0.231725 trlgG= -0.292389 logG= -0.029482 TDE= -0.169884 logGD-logG0= -0.004753 tlogG= -0.023621 logG= -0.028374 logGD-logG0= -0.005542 tlogG= -0.023937 logG= -0.029479 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216324 ETOT(band)= -0.230935 trlgG= -0.292084 logG= -0.029479 TDE= -0.170166 logGD-logG0= -0.004849 tlogG= -0.023937 logG= -0.028786 Density= 0.212787 ETOT(band)= -0.231408 trlgG= -0.290640 logG= -0.028374 TDE= -0.169375 logGD-logG0= -0.001272 tlogG= -0.005186 logG= -0.006458 Density= 0.062560 ETOT(band)= -0.066832 trlgG= -0.083630 logG= -0.006458 TDE= -0.042031 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213430 ETOT(band)= -0.231316 trlgG= -0.290461 logG= -0.028786 TDE= -0.169480 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.006894 logG= -0.008589 Density= 0.040833 ETOT(band)= -0.042264 trlgG= -0.052471 logG= -0.008589 TDE= -0.056025 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004696 tlogG= -0.023772 logG= -0.028467 Density= 0.213249 ETOT(band)= -0.231033 trlgG= -0.289694 logG= -0.028467 TDE= -0.169457 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.022492 logG= -0.027901 Density= 0.216374 ETOT(band)= -0.228958 trlgG= -0.286675 logG= -0.027901 TDE= -0.169202 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005714 tlogG= -0.023872 logG= -0.029586 Density= 0.215631 ETOT(band)= -0.231393 trlgG= -0.292424 logG= -0.029586 TDE= -0.170012 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005479 logG= -0.006786 Density= 0.081202 ETOT(band)= -0.085492 trlgG= -0.106653 logG= -0.006786 TDE= -0.042239 logGD-logG0= -0.005557 tlogG= -0.023746 logG= -0.029303 Density= 0.216232 ETOT(band)= -0.230728 trlgG= -0.291374 logG= -0.029303 TDE= -0.170027 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009452 tlogG= -0.048176 logG= -0.057628 Density= 0.425852 ETOT(band)= -0.463179 trlgG= -0.582311 logG= -0.057628 TDE= -0.339151 logGD-logG0= -0.005751 tlogG= -0.023667 logG= -0.029418 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215418 ETOT(band)= -0.231227 trlgG= -0.291714 logG= -0.029418 TDE= -0.169835 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.046813 logG= -0.056773 Density= 0.428152 ETOT(band)= -0.461145 trlgG= -0.577648 logG= -0.056773 TDE= -0.338499 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.021346 logG= -0.026587 logGD-logG0= -0.005110 tlogG= -0.022359 logG= -0.027469 Density= 0.162618 ETOT(band)= -0.171284 trlgG= -0.214487 logG= -0.026587 TDE= -0.168550 Density= 0.215108 ETOT(band)= -0.229541 trlgG= -0.287086 logG= -0.027469 TDE= -0.168917 logGD-logG0= -0.010101 tlogG= -0.046644 logG= -0.056745 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428307 ETOT(band)= -0.461878 trlgG= -0.580256 logG= -0.056745 TDE= -0.338934 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010107 tlogG= -0.047786 logG= -0.057893 Density= 0.426930 ETOT(band)= -0.463281 trlgG= -0.582696 logG= -0.057893 TDE= -0.339055 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010065 tlogG= -0.047899 logG= -0.057964 Density= 0.427428 ETOT(band)= -0.462868 trlgG= -0.581641 logG= -0.057964 TDE= -0.338857 logGD-logG0= -0.010726 tlogG= -0.048179 logG= -0.058905 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429399 ETOT(band)= -0.463369 trlgG= -0.584329 logG= -0.058905 TDE= -0.339612 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005320 logG= -0.006609 Density= 0.081538 ETOT(band)= -0.084854 trlgG= -0.105537 logG= -0.006609 TDE= -0.042130 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001805 tlogG= -0.007128 logG= -0.008932 logGD-logG0= -0.001669 tlogG= -0.007604 logG= -0.009272 Density= 0.071541 ETOT(band)= -0.076528 trlgG= -0.095480 logG= -0.009272 TDE= -0.056298 logGD-logG0= -0.010513 tlogG= -0.046450 logG= -0.056963 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072232 ETOT(band)= -0.075718 trlgG= -0.094215 logG= -0.008932 TDE= -0.056175 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429711 ETOT(band)= -0.460687 trlgG= -0.577466 logG= -0.056963 TDE= -0.338647 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.022319 logG= -0.027578 Density= 0.214387 ETOT(band)= -0.229974 trlgG= -0.287380 logG= -0.027578 TDE= -0.168823 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010877 tlogG= -0.047000 logG= -0.057876 Density= 0.430005 ETOT(band)= -0.461629 trlgG= -0.579953 logG= -0.057876 TDE= -0.338839 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.023388 logG= -0.028373 Density= 0.321752 ETOT(band)= -0.346369 trlgG= -0.435662 logG= -0.028373 TDE= -0.169554 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.021915 logG= -0.027319 Density= 0.216626 ETOT(band)= -0.227993 trlgG= -0.284579 logG= -0.027319 TDE= -0.168877 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005148 tlogG= -0.022365 logG= -0.027513 Density= 0.322972 ETOT(band)= -0.344386 trlgG= -0.431031 logG= -0.027513 TDE= -0.168914 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010559 tlogG= -0.044721 logG= -0.055281 Density= 0.324327 ETOT(band)= -0.343182 trlgG= -0.428994 logG= -0.055281 TDE= -0.338059 logGD-logG0= -0.005324 tlogG= -0.021390 logG= -0.026714 Density= 0.217001 ETOT(band)= -0.226919 trlgG= -0.282433 logG= -0.026714 TDE= -0.168557 logGD-logG0= -0.010230 tlogG= -0.047859 logG= -0.058089 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428212 ETOT(band)= -0.463166 trlgG= -0.583613 logG= -0.058089 TDE= -0.339546 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.022527 logG= -0.027736 Density= 0.215122 ETOT(band)= -0.229244 trlgG= -0.286037 logG= -0.027736 TDE= -0.168836 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005285 tlogG= -0.021248 logG= -0.026533 Density= 0.216371 ETOT(band)= -0.227727 trlgG= -0.283619 logG= -0.026533 TDE= -0.168467 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005225 tlogG= -0.022966 logG= -0.028191 Density= 0.214899 ETOT(band)= -0.229967 trlgG= -0.287628 logG= -0.028191 TDE= -0.169093 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.044692 logG= -0.055130 Density= 0.431705 ETOT(band)= -0.457373 trlgG= -0.570826 logG= -0.055130 TDE= -0.337744 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011124 tlogG= -0.047745 logG= -0.058869 logGD-logG0= -0.011155 tlogG= -0.047206 logG= -0.058360 Density= 0.324093 ETOT(band)= -0.346056 trlgG= -0.436588 logG= -0.058360 TDE= -0.339840 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324273 ETOT(band)= -0.346442 trlgG= -0.437943 logG= -0.058869 TDE= -0.340223 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.024179 logG= -0.029514 Density= 0.322480 ETOT(band)= -0.347580 trlgG= -0.438793 logG= -0.029514 TDE= -0.169885 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010706 tlogG= -0.047819 logG= -0.058525 Density= 0.428466 ETOT(band)= -0.463168 trlgG= -0.582961 logG= -0.058525 TDE= -0.339186 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005699 tlogG= -0.023930 logG= -0.029630 Density= 0.323622 ETOT(band)= -0.347121 trlgG= -0.438928 logG= -0.029630 TDE= -0.170060 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011265 tlogG= -0.047354 logG= -0.058618 Density= 0.430534 ETOT(band)= -0.462304 trlgG= -0.582567 logG= -0.058618 TDE= -0.339443 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.045746 logG= -0.056481 Density= 0.324081 ETOT(band)= -0.344434 trlgG= -0.431929 logG= -0.056481 TDE= -0.338706 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011059 tlogG= -0.046476 logG= -0.057535 Density= 0.324000 ETOT(band)= -0.345382 trlgG= -0.434512 logG= -0.057535 TDE= -0.339302 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011412 tlogG= -0.047680 logG= -0.059092 Density= 0.431080 ETOT(band)= -0.462718 trlgG= -0.584426 logG= -0.059092 TDE= -0.339931 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -321.446457803071 eV TrLogG= -404.401452887397 eV Ratio to renormalize= 0.999801290132 rho-rho_expected= 0.004372485957 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962321059089490 0.935704199243712 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002488 tlogG= -0.011461 logG= -0.013949 Density= 0.053755 ETOT(band)= -0.057465 trlgG= -0.071996 logG= -0.013949 TDE= -0.084648 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.024092 logG= -0.028884 Density= 0.106466 ETOT(band)= -0.115861 trlgG= -0.145760 logG= -0.028884 TDE= -0.169561 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005535 tlogG= -0.023750 logG= -0.029285 Density= 0.107266 ETOT(band)= -0.115772 trlgG= -0.145728 logG= -0.029285 TDE= -0.169524 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023221 logG= -0.028662 Density= 0.108181 ETOT(band)= -0.115050 trlgG= -0.144859 logG= -0.028662 TDE= -0.169730 logGD-logG0= -0.005181 tlogG= -0.024077 logG= -0.029258 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107095 ETOT(band)= -0.115850 trlgG= -0.146103 logG= -0.029258 TDE= -0.169841 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005012 tlogG= -0.023697 logG= -0.028708 Density= 0.107024 ETOT(band)= -0.115595 trlgG= -0.145428 logG= -0.028708 TDE= -0.169680 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.022874 logG= -0.027926 Density= 0.107347 ETOT(band)= -0.115015 trlgG= -0.144029 logG= -0.027926 TDE= -0.169224 logGD-logG0= -0.005571 tlogG= -0.023260 logG= -0.028831 Density= 0.107702 ETOT(band)= -0.115351 trlgG= -0.145087 logG= -0.028831 TDE= -0.169552 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001493 tlogG= -0.008052 logG= -0.009545 Density= 0.035343 ETOT(band)= -0.038637 trlgG= -0.048611 logG= -0.009545 TDE= -0.056555 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007821 logG= -0.009400 Density= 0.035521 ETOT(band)= -0.038498 trlgG= -0.048259 logG= -0.009400 TDE= -0.056437 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.022449 logG= -0.027762 Density= 0.107677 ETOT(band)= -0.114764 trlgG= -0.143407 logG= -0.027762 TDE= -0.168929 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000210 tlogG= -0.000855 logG= -0.001065 Density= 0.004541 ETOT(band)= -0.004688 trlgG= -0.005816 logG= -0.001065 TDE= -0.006998 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.023244 logG= -0.028142 Density= 0.106814 ETOT(band)= -0.115359 trlgG= -0.144443 logG= -0.028142 TDE= -0.169158 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002477 tlogG= -0.011890 logG= -0.014367 Density= 0.053581 ETOT(band)= -0.057783 trlgG= -0.072742 logG= -0.014367 TDE= -0.084890 logGD-logG0= -0.002571 tlogG= -0.012087 logG= -0.014657 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053600 ETOT(band)= -0.057927 trlgG= -0.073102 logG= -0.014657 TDE= -0.084969 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002750 tlogG= -0.012044 logG= -0.014794 Density= 0.053768 ETOT(band)= -0.057929 trlgG= -0.073134 logG= -0.014794 TDE= -0.084947 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001791 tlogG= -0.007321 logG= -0.009111 Density= 0.035861 ETOT(band)= -0.038174 trlgG= -0.047567 logG= -0.009111 TDE= -0.056202 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002574 tlogG= -0.010453 logG= -0.013027 Density= 0.054365 ETOT(band)= -0.056518 trlgG= -0.070247 logG= -0.013027 TDE= -0.084122 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005496 tlogG= -0.023428 logG= -0.028923 Density= 0.108116 ETOT(band)= -0.115223 trlgG= -0.145267 logG= -0.028923 TDE= -0.169845 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005511 tlogG= -0.023752 logG= -0.029263 logGD-logG0= -0.005562 tlogG= -0.024108 logG= -0.029670 Density= 0.107645 ETOT(band)= -0.115865 trlgG= -0.146417 logG= -0.029670 TDE= -0.170015 logGD-logG0= -0.005503 tlogG= -0.023935 logG= -0.029438 Density= 0.108150 ETOT(band)= -0.115390 trlgG= -0.145803 logG= -0.029263 TDE= -0.170058 Density= 0.108193 ETOT(band)= -0.115469 trlgG= -0.146084 logG= -0.029438 TDE= -0.170185 logGD-logG0= -0.005442 tlogG= -0.022993 logG= -0.028434 Density= 0.108133 ETOT(band)= -0.114950 trlgG= -0.144500 logG= -0.028434 TDE= -0.169575 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023714 logG= -0.028842 Density= 0.107409 ETOT(band)= -0.115503 trlgG= -0.145377 logG= -0.028842 TDE= -0.169686 logGD-logG0= -0.005365 tlogG= -0.022482 logG= -0.027847 logGD-logG0= -0.002742 tlogG= -0.011977 logG= -0.014719 Density= 0.108209 ETOT(band)= -0.114579 trlgG= -0.143570 logG= -0.027847 TDE= -0.169271 logGD-logG0= -0.004611 tlogG= -0.024005 logG= -0.028616 Density= 0.106255 ETOT(band)= -0.115818 trlgG= -0.145612 logG= -0.028616 TDE= -0.169577 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054118 ETOT(band)= -0.057724 trlgG= -0.073043 logG= -0.014719 TDE= -0.085104 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005651 tlogG= -0.024053 logG= -0.029704 logGD-logG0= -0.005230 tlogG= -0.023721 logG= -0.028951 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107873 ETOT(band)= -0.115792 trlgG= -0.146505 logG= -0.029704 TDE= -0.170182 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107034 ETOT(band)= -0.115681 trlgG= -0.145243 logG= -0.028951 TDE= -0.169258 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005651 tlogG= -0.024126 logG= -0.029777 Density= 0.107801 ETOT(band)= -0.115871 trlgG= -0.146616 logG= -0.029777 TDE= -0.170184 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002810 tlogG= -0.011974 logG= -0.014784 Density= 0.053974 ETOT(band)= -0.057831 trlgG= -0.073143 logG= -0.014784 TDE= -0.085067 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005524 tlogG= -0.023990 logG= -0.029515 Density= 0.107461 ETOT(band)= -0.115839 trlgG= -0.146135 logG= -0.029515 TDE= -0.169797 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.022754 logG= -0.028118 Density= 0.108246 ETOT(band)= -0.114721 trlgG= -0.144005 logG= -0.028118 TDE= -0.169452 logGD-logG0= -0.005164 tlogG= -0.022889 logG= -0.028053 logGD-logG0= -0.005286 tlogG= -0.024115 logG= -0.029402 Density= 0.107400 ETOT(band)= -0.115811 trlgG= -0.146115 logG= -0.029402 TDE= -0.169860 logGD-logG0= -0.005489 tlogG= -0.023860 logG= -0.029349 Density= 0.108214 ETOT(band)= -0.115407 trlgG= -0.145941 logG= -0.029349 TDE= -0.170142 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023032 logG= -0.028019 Density= 0.106945 ETOT(band)= -0.115238 trlgG= -0.144150 logG= -0.028019 TDE= -0.169052 Density= 0.107775 ETOT(band)= -0.114901 trlgG= -0.143938 logG= -0.028053 TDE= -0.169217 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023600 logG= -0.029083 Density= 0.108179 ETOT(band)= -0.115277 trlgG= -0.145518 logG= -0.029083 TDE= -0.169967 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.022925 logG= -0.028320 logGD-logG0= -0.004929 tlogG= -0.023723 logG= -0.028652 Density= 0.106668 ETOT(band)= -0.115685 trlgG= -0.145293 logG= -0.028652 TDE= -0.169425 Density= 0.107650 ETOT(band)= -0.115096 trlgG= -0.144284 logG= -0.028320 TDE= -0.169234 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023970 logG= -0.029098 Density= 0.106815 ETOT(band)= -0.115848 trlgG= -0.145823 logG= -0.029098 TDE= -0.169582 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005587 tlogG= -0.023953 logG= -0.029540 logGD-logG0= -0.004990 tlogG= -0.023553 logG= -0.028543 Density= 0.106845 ETOT(band)= -0.115550 trlgG= -0.144942 logG= -0.028543 TDE= -0.169271 Density= 0.107749 ETOT(band)= -0.115742 trlgG= -0.146218 logG= -0.029540 TDE= -0.169998 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.021041 logG= -0.026204 Density= 0.108687 ETOT(band)= -0.113178 trlgG= -0.140765 logG= -0.026204 TDE= -0.168345 logGD-logG0= -0.005637 tlogG= -0.023845 logG= -0.029481 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107903 ETOT(band)= -0.115628 trlgG= -0.146139 logG= -0.029481 TDE= -0.170053 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005627 tlogG= -0.024028 logG= -0.029655 Density= 0.107929 ETOT(band)= -0.115732 trlgG= -0.146428 logG= -0.029655 TDE= -0.170182 logGD-logG0= -0.010381 tlogG= -0.048269 logG= -0.058650 Density= 0.214463 ETOT(band)= -0.231678 trlgG= -0.292310 logG= -0.058650 TDE= -0.339787 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.021857 logG= -0.027244 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010028 tlogG= -0.047478 logG= -0.057506 Density= 0.214391 ETOT(band)= -0.231102 trlgG= -0.290870 logG= -0.057506 TDE= -0.339456 Density= 0.107825 ETOT(band)= -0.114348 trlgG= -0.142564 logG= -0.027244 TDE= -0.168677 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005667 tlogG= -0.023559 logG= -0.029226 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107801 ETOT(band)= -0.115523 trlgG= -0.145718 logG= -0.029226 TDE= -0.169837 logGD-logG0= -0.010250 tlogG= -0.047182 logG= -0.057432 logGD-logG0= -0.010525 tlogG= -0.047918 logG= -0.058444 Density= 0.213882 ETOT(band)= -0.231233 trlgG= -0.290694 logG= -0.057432 TDE= -0.339101 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011044 tlogG= -0.048137 logG= -0.059181 Density= 0.215092 ETOT(band)= -0.231707 trlgG= -0.292542 logG= -0.059181 TDE= -0.339800 Density= 0.214060 ETOT(band)= -0.231686 trlgG= -0.291959 logG= -0.058444 TDE= -0.339443 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010288 tlogG= -0.047296 logG= -0.057584 Density= 0.213901 ETOT(band)= -0.231275 trlgG= -0.290491 logG= -0.057584 TDE= -0.338756 logGD-logG0= -0.009619 tlogG= -0.047720 logG= -0.057338 Density= 0.213082 ETOT(band)= -0.231472 trlgG= -0.290827 logG= -0.057338 TDE= -0.338933 logGD-logG0= -0.004583 tlogG= -0.024080 logG= -0.028663 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106204 ETOT(band)= -0.115857 trlgG= -0.145720 logG= -0.028663 TDE= -0.169612 logGD-logG0= -0.010362 tlogG= -0.045634 logG= -0.055996 Density= 0.214482 ETOT(band)= -0.230195 trlgG= -0.288118 logG= -0.055996 TDE= -0.338257 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011089 tlogG= -0.047797 logG= -0.058886 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.048060 logG= -0.058067 logGD-logG0= -0.010089 tlogG= -0.045817 logG= -0.055907 Density= 0.215096 ETOT(band)= -0.229892 trlgG= -0.287994 logG= -0.055907 TDE= -0.338527 logGD-logG0= -0.011111 tlogG= -0.048084 logG= -0.059195 Density= 0.214804 ETOT(band)= -0.231632 trlgG= -0.292012 logG= -0.058886 TDE= -0.339422 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213406 ETOT(band)= -0.231700 trlgG= -0.291418 logG= -0.058067 TDE= -0.338955 Density= 0.215127 ETOT(band)= -0.231699 trlgG= -0.292567 logG= -0.059195 TDE= -0.339828 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010878 tlogG= -0.048050 logG= -0.058928 Density= 0.215098 ETOT(band)= -0.231561 trlgG= -0.292129 logG= -0.058928 TDE= -0.339642 logGD-logG0= -0.011252 tlogG= -0.047887 logG= -0.059139 Density= 0.215864 ETOT(band)= -0.231341 trlgG= -0.292569 logG= -0.059139 TDE= -0.340251 logGD-logG0= -0.010640 tlogG= -0.048069 logG= -0.058709 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214590 ETOT(band)= -0.231635 trlgG= -0.292082 logG= -0.058709 TDE= -0.339564 logGD-logG0= -0.010947 tlogG= -0.047840 logG= -0.058787 Density= 0.214710 ETOT(band)= -0.231616 trlgG= -0.291867 logG= -0.058787 TDE= -0.339330 logGD-logG0= -0.011317 tlogG= -0.047480 logG= -0.058797 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215689 ETOT(band)= -0.231211 trlgG= -0.291997 logG= -0.058797 TDE= -0.339934 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010840 tlogG= -0.047491 logG= -0.058331 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214348 ETOT(band)= -0.231490 trlgG= -0.291213 logG= -0.058331 TDE= -0.338952 logGD-logG0= -0.002626 tlogG= -0.010862 logG= -0.013488 Density= 0.054070 ETOT(band)= -0.057010 trlgG= -0.071057 logG= -0.013488 TDE= -0.084325 logGD-logG0= -0.001738 tlogG= -0.007008 logG= -0.008746 Density= 0.036192 ETOT(band)= -0.037752 trlgG= -0.046943 logG= -0.008746 TDE= -0.056107 logGD-logG0= -0.011115 tlogG= -0.047531 logG= -0.058646 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215474 ETOT(band)= -0.231230 trlgG= -0.291732 logG= -0.058646 TDE= -0.339713 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010627 tlogG= -0.047817 logG= -0.058443 logGD-logG0= -0.011302 tlogG= -0.047831 logG= -0.059133 Density= 0.215745 ETOT(band)= -0.231400 trlgG= -0.292551 logG= -0.059133 TDE= -0.340179 logGD-logG0= -0.010453 tlogG= -0.045723 logG= -0.056176 logGD-logG0= -0.010739 tlogG= -0.046505 logG= -0.057244 Density= 0.215228 ETOT(band)= -0.229975 trlgG= -0.288000 logG= -0.056176 TDE= -0.338329 Density= 0.214047 ETOT(band)= -0.231672 trlgG= -0.291714 logG= -0.058443 TDE= -0.339191 Density= 0.215271 ETOT(band)= -0.230543 trlgG= -0.289506 logG= -0.057244 TDE= -0.338789 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011207 tlogG= -0.048235 logG= -0.059443 logGD-logG0= -0.010655 tlogG= -0.047232 logG= -0.057887 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215420 ETOT(band)= -0.231744 trlgG= -0.293021 logG= -0.059443 TDE= -0.340179 Density= 0.215192 ETOT(band)= -0.230939 trlgG= -0.290528 logG= -0.057887 TDE= -0.339128 logGD-logG0= -0.010370 tlogG= -0.047269 logG= -0.057640 Density= 0.214558 ETOT(band)= -0.231074 trlgG= -0.290664 logG= -0.057640 TDE= -0.339198 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011153 tlogG= -0.046998 logG= -0.058151 Density= 0.215451 ETOT(band)= -0.230953 trlgG= -0.290946 logG= -0.058151 TDE= -0.339411 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.021911 logG= -0.027233 Density= 0.108321 ETOT(band)= -0.114099 trlgG= -0.142548 logG= -0.027233 TDE= -0.168918 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005237 tlogG= -0.021609 logG= -0.026846 Density= 0.108502 ETOT(band)= -0.113748 trlgG= -0.141893 logG= -0.026846 TDE= -0.168738 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005318 tlogG= -0.022208 logG= -0.027526 Density= 0.108346 ETOT(band)= -0.114274 trlgG= -0.143032 logG= -0.027526 TDE= -0.169121 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005333 tlogG= -0.021734 logG= -0.027067 Density= 0.107959 ETOT(band)= -0.114167 trlgG= -0.142270 logG= -0.027067 TDE= -0.168627 logGD-logG0= -0.010654 tlogG= -0.043484 logG= -0.054138 Density= 0.216303 ETOT(band)= -0.228153 trlgG= -0.284551 logG= -0.054138 TDE= -0.337450 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001319 tlogG= -0.005627 logG= -0.006946 Density= 0.080855 ETOT(band)= -0.086080 trlgG= -0.107864 logG= -0.006946 TDE= -0.042333 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023968 logG= -0.029338 Density= 0.214414 ETOT(band)= -0.231629 trlgG= -0.291752 logG= -0.029338 TDE= -0.169707 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.024021 logG= -0.028841 Density= 0.212963 ETOT(band)= -0.231696 trlgG= -0.291432 logG= -0.028841 TDE= -0.169530 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005553 tlogG= -0.023408 logG= -0.028961 Density= 0.216180 ETOT(band)= -0.230342 trlgG= -0.290176 logG= -0.028961 TDE= -0.169799 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.024016 logG= -0.029052 Density= 0.214199 ETOT(band)= -0.231603 trlgG= -0.292027 logG= -0.029052 TDE= -0.169872 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005665 tlogG= -0.023442 logG= -0.029107 Density= 0.215155 ETOT(band)= -0.230950 trlgG= -0.290569 logG= -0.029107 TDE= -0.169549 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023388 logG= -0.028342 Density= 0.214275 ETOT(band)= -0.230901 trlgG= -0.290256 logG= -0.028342 TDE= -0.169559 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.022360 logG= -0.027470 Density= 0.215110 ETOT(band)= -0.229546 trlgG= -0.287092 logG= -0.027470 TDE= -0.168920 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001521 tlogG= -0.007974 logG= -0.009495 Density= 0.070925 ETOT(band)= -0.077090 trlgG= -0.096753 logG= -0.009495 TDE= -0.056519 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005186 logG= -0.006458 Density= 0.062561 ETOT(band)= -0.066833 trlgG= -0.083632 logG= -0.006458 TDE= -0.042031 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005225 tlogG= -0.022967 logG= -0.028191 Density= 0.214900 ETOT(band)= -0.229972 trlgG= -0.287634 logG= -0.028191 TDE= -0.169096 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001342 tlogG= -0.005752 logG= -0.007093 Density= 0.080653 ETOT(band)= -0.086494 trlgG= -0.108844 logG= -0.007093 TDE= -0.042405 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001366 tlogG= -0.005937 logG= -0.007304 Density= 0.080829 ETOT(band)= -0.086759 trlgG= -0.109566 logG= -0.007304 TDE= -0.042520 logGD-logG0= -0.001359 tlogG= -0.005856 logG= -0.007215 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080658 ETOT(band)= -0.086709 trlgG= -0.109395 logG= -0.007215 TDE= -0.042467 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005320 logG= -0.006609 Density= 0.081539 ETOT(band)= -0.084856 trlgG= -0.105539 logG= -0.006609 TDE= -0.042131 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001669 tlogG= -0.007604 logG= -0.009272 Density= 0.071541 ETOT(band)= -0.076529 trlgG= -0.095482 logG= -0.009272 TDE= -0.056299 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005584 tlogG= -0.023976 logG= -0.029560 Density= 0.215666 ETOT(band)= -0.231492 trlgG= -0.292694 logG= -0.029560 TDE= -0.170171 logGD-logG0= -0.004696 tlogG= -0.023772 logG= -0.028468 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213251 ETOT(band)= -0.231038 trlgG= -0.289701 logG= -0.028468 TDE= -0.169460 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005549 tlogG= -0.023978 logG= -0.029528 logGD-logG0= -0.001366 tlogG= -0.005981 logG= -0.007347 Density= 0.081042 ETOT(band)= -0.086681 trlgG= -0.109644 logG= -0.007347 TDE= -0.042549 Density= 0.216292 ETOT(band)= -0.231039 trlgG= -0.292313 logG= -0.029528 TDE= -0.170193 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005521 tlogG= -0.023544 logG= -0.029065 Density= 0.215248 ETOT(band)= -0.230931 trlgG= -0.290846 logG= -0.029065 TDE= -0.169769 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005613 tlogG= -0.023777 logG= -0.029390 Density= 0.215342 ETOT(band)= -0.231373 trlgG= -0.292110 logG= -0.029390 TDE= -0.170020 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.024019 logG= -0.029086 Density= 0.321662 ETOT(band)= -0.347409 trlgG= -0.438221 logG= -0.029086 TDE= -0.169872 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.023389 logG= -0.028373 Density= 0.321754 ETOT(band)= -0.346376 trlgG= -0.435671 logG= -0.028373 TDE= -0.169557 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023881 logG= -0.029238 Density= 0.215494 ETOT(band)= -0.231379 trlgG= -0.292146 logG= -0.029238 TDE= -0.169709 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005666 tlogG= -0.024093 logG= -0.029759 Density= 0.215695 ETOT(band)= -0.231643 trlgG= -0.293094 logG= -0.029759 TDE= -0.170186 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023958 logG= -0.029098 Density= 0.213904 ETOT(band)= -0.231503 trlgG= -0.290885 logG= -0.029098 TDE= -0.169429 logGD-logG0= -0.001696 tlogG= -0.006894 logG= -0.008589 Density= 0.040833 ETOT(band)= -0.042264 trlgG= -0.052472 logG= -0.008589 TDE= -0.056026 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011059 tlogG= -0.046477 logG= -0.057536 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005335 tlogG= -0.024180 logG= -0.029515 Density= 0.322483 ETOT(band)= -0.347587 trlgG= -0.438803 logG= -0.029515 TDE= -0.169888 Density= 0.324003 ETOT(band)= -0.345389 trlgG= -0.434521 logG= -0.057536 TDE= -0.339308 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011153 tlogG= -0.047208 logG= -0.058361 Density= 0.324095 ETOT(band)= -0.346062 trlgG= -0.436597 logG= -0.058361 TDE= -0.339846 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005542 tlogG= -0.023938 logG= -0.029479 Density= 0.216326 ETOT(band)= -0.230939 trlgG= -0.292090 logG= -0.029479 TDE= -0.170169 logGD-logG0= -0.005311 tlogG= -0.024171 logG= -0.029482 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214784 ETOT(band)= -0.231729 trlgG= -0.292396 logG= -0.029482 TDE= -0.169887 logGD-logG0= -0.011123 tlogG= -0.047747 logG= -0.058870 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324276 ETOT(band)= -0.346448 trlgG= -0.437952 logG= -0.058870 TDE= -0.340229 logGD-logG0= -0.004753 tlogG= -0.023622 logG= -0.028375 Density= 0.212788 ETOT(band)= -0.231413 trlgG= -0.290647 logG= -0.028375 TDE= -0.169378 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005507 tlogG= -0.022979 logG= -0.028486 Density= 0.216231 ETOT(band)= -0.229764 trlgG= -0.288579 logG= -0.028486 TDE= -0.169524 logGD-logG0= -0.005699 tlogG= -0.023931 logG= -0.029630 Density= 0.323625 ETOT(band)= -0.347127 trlgG= -0.438937 logG= -0.029630 TDE= -0.170063 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005713 tlogG= -0.023873 logG= -0.029586 Density= 0.215633 ETOT(band)= -0.231397 trlgG= -0.292430 logG= -0.029586 TDE= -0.170015 logGD-logG0= -0.005523 tlogG= -0.024124 logG= -0.029647 logGD-logG0= -0.005556 tlogG= -0.023747 logG= -0.029303 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323061 ETOT(band)= -0.347597 trlgG= -0.439398 logG= -0.029647 TDE= -0.169996 logGD-logG0= -0.010735 tlogG= -0.045747 logG= -0.056482 Density= 0.216234 ETOT(band)= -0.230732 trlgG= -0.291380 logG= -0.029303 TDE= -0.170031 Density= 0.324084 ETOT(band)= -0.344441 trlgG= -0.431939 logG= -0.056482 TDE= -0.338712 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023842 logG= -0.028971 Density= 0.213687 ETOT(band)= -0.231626 trlgG= -0.291591 logG= -0.028971 TDE= -0.169683 logGD-logG0= -0.005081 tlogG= -0.023257 logG= -0.028339 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213632 ETOT(band)= -0.231095 trlgG= -0.290088 logG= -0.028339 TDE= -0.169388 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.023938 logG= -0.028787 logGD-logG0= -0.011245 tlogG= -0.048121 logG= -0.059366 Density= 0.323237 ETOT(band)= -0.347408 trlgG= -0.439124 logG= -0.059366 TDE= -0.340174 Density= 0.213431 ETOT(band)= -0.231321 trlgG= -0.290467 logG= -0.028787 TDE= -0.169483 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023292 logG= -0.028604 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321818 ETOT(band)= -0.346882 trlgG= -0.436454 logG= -0.028604 TDE= -0.169467 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.021390 logG= -0.026714 Density= 0.217003 ETOT(band)= -0.226923 trlgG= -0.282439 logG= -0.026714 TDE= -0.168560 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005403 tlogG= -0.023277 logG= -0.028680 Density= 0.214951 ETOT(band)= -0.230530 trlgG= -0.289100 logG= -0.028680 TDE= -0.169234 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010270 tlogG= -0.046665 logG= -0.056935 Density= 0.322801 ETOT(band)= -0.345408 trlgG= -0.433412 logG= -0.056935 TDE= -0.338945 logGD-logG0= -0.005751 tlogG= -0.023668 logG= -0.029419 Density= 0.215420 ETOT(band)= -0.231232 trlgG= -0.291720 logG= -0.029419 TDE= -0.169839 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010229 tlogG= -0.047861 logG= -0.058090 logGD-logG0= -0.009452 tlogG= -0.048177 logG= -0.057629 Density= 0.428215 ETOT(band)= -0.463175 trlgG= -0.583626 logG= -0.058090 TDE= -0.339552 Density= 0.425854 ETOT(band)= -0.463189 trlgG= -0.582324 logG= -0.057629 TDE= -0.339157 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010725 tlogG= -0.048180 logG= -0.058906 Density= 0.429403 ETOT(band)= -0.463378 trlgG= -0.584341 logG= -0.058906 TDE= -0.339618 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010100 tlogG= -0.046645 logG= -0.056746 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428310 ETOT(band)= -0.461887 trlgG= -0.580269 logG= -0.056746 TDE= -0.338940 logGD-logG0= -0.005209 tlogG= -0.022528 logG= -0.027736 Density= 0.215123 ETOT(band)= -0.229248 trlgG= -0.286043 logG= -0.027736 TDE= -0.168839 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010844 tlogG= -0.048275 logG= -0.059119 logGD-logG0= -0.011042 tlogG= -0.048140 logG= -0.059182 Density= 0.430190 ETOT(band)= -0.463269 trlgG= -0.584668 logG= -0.059182 TDE= -0.339795 logGD-logG0= -0.009959 tlogG= -0.046814 logG= -0.056774 Density= 0.428154 ETOT(band)= -0.461154 trlgG= -0.577660 logG= -0.056774 TDE= -0.338505 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430086 ETOT(band)= -0.463430 trlgG= -0.584998 logG= -0.059119 TDE= -0.339684 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011202 tlogG= -0.047819 logG= -0.059021 Density= 0.430768 ETOT(band)= -0.462751 trlgG= -0.584041 logG= -0.059021 TDE= -0.339826 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010706 tlogG= -0.047820 logG= -0.058526 Density= 0.428470 ETOT(band)= -0.463177 trlgG= -0.582973 logG= -0.058526 TDE= -0.339192 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047897 logG= -0.058293 Density= 0.429254 ETOT(band)= -0.463028 trlgG= -0.583720 logG= -0.058293 TDE= -0.339570 logGD-logG0= -0.010065 tlogG= -0.047900 logG= -0.057965 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010884 tlogG= -0.047999 logG= -0.058883 Density= 0.429315 ETOT(band)= -0.463330 trlgG= -0.583983 logG= -0.058883 TDE= -0.339431 Density= 0.427431 ETOT(band)= -0.462878 trlgG= -0.581653 logG= -0.057965 TDE= -0.338863 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011412 tlogG= -0.047681 logG= -0.059093 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431084 ETOT(band)= -0.462727 trlgG= -0.584439 logG= -0.059093 TDE= -0.339938 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010107 tlogG= -0.047787 logG= -0.057894 Density= 0.426933 ETOT(band)= -0.463290 trlgG= -0.582709 logG= -0.057894 TDE= -0.339061 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010512 tlogG= -0.046452 logG= -0.056964 Density= 0.429714 ETOT(band)= -0.460696 trlgG= -0.577478 logG= -0.056964 TDE= -0.338653 logGD-logG0= -0.011360 tlogG= -0.047981 logG= -0.059341 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431297 ETOT(band)= -0.463017 trlgG= -0.585424 logG= -0.059341 TDE= -0.340198 logGD-logG0= -0.010575 tlogG= -0.047592 logG= -0.058166 Density= 0.428779 ETOT(band)= -0.462547 trlgG= -0.582073 logG= -0.058166 TDE= -0.339251 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010803 tlogG= -0.047636 logG= -0.058440 Density= 0.430098 ETOT(band)= -0.462292 trlgG= -0.581897 logG= -0.058440 TDE= -0.339275 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011264 tlogG= -0.047355 logG= -0.058619 Density= 0.430537 ETOT(band)= -0.462313 trlgG= -0.582580 logG= -0.058619 TDE= -0.339450 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010876 tlogG= -0.047001 logG= -0.057877 Density= 0.430009 ETOT(band)= -0.461638 trlgG= -0.579965 logG= -0.057877 TDE= -0.338845 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004556 tlogG= -0.024159 logG= -0.028715 Density= 0.212347 ETOT(band)= -0.231759 trlgG= -0.291560 logG= -0.028715 TDE= -0.169649 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005479 logG= -0.006786 logGD-logG0= -0.010559 tlogG= -0.044723 logG= -0.055282 Density= 0.081202 ETOT(band)= -0.085494 trlgG= -0.106655 logG= -0.006786 TDE= -0.042239 Density= 0.324330 ETOT(band)= -0.343189 trlgG= -0.429003 logG= -0.055282 TDE= -0.338065 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.021347 logG= -0.026588 Density= 0.162620 ETOT(band)= -0.171287 trlgG= -0.214492 logG= -0.026588 TDE= -0.168553 logGD-logG0= -0.005408 tlogG= -0.022493 logG= -0.027901 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216376 ETOT(band)= -0.228962 trlgG= -0.286680 logG= -0.027901 TDE= -0.169205 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.022366 logG= -0.027513 Density= 0.322974 ETOT(band)= -0.344393 trlgG= -0.431040 logG= -0.027513 TDE= -0.168917 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001804 tlogG= -0.007128 logG= -0.008933 Density= 0.072233 ETOT(band)= -0.075719 trlgG= -0.094217 logG= -0.008933 TDE= -0.056176 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005259 tlogG= -0.022320 logG= -0.027579 Density= 0.214389 ETOT(band)= -0.229978 trlgG= -0.287386 logG= -0.027579 TDE= -0.168826 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005403 tlogG= -0.021916 logG= -0.027319 Density= 0.216628 ETOT(band)= -0.227997 trlgG= -0.284585 logG= -0.027319 TDE= -0.168880 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005285 tlogG= -0.021249 logG= -0.026533 Density= 0.216372 ETOT(band)= -0.227731 trlgG= -0.283625 logG= -0.026533 TDE= -0.168470 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010437 tlogG= -0.044694 logG= -0.055131 Density= 0.431708 ETOT(band)= -0.457381 trlgG= -0.570838 logG= -0.055131 TDE= -0.337750 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.452813243715 eV TrLogG= -404.411326238821 eV Ratio to renormalize= 0.999793401142 rho-rho_expected= 0.004546114100 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962361442122672 0.935785417607586 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002476 tlogG= -0.011896 logG= -0.014372 Density= 0.053584 ETOT(band)= -0.057794 trlgG= -0.072760 logG= -0.014372 TDE= -0.084904 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002487 tlogG= -0.011466 logG= -0.013954 Density= 0.053759 ETOT(band)= -0.057477 trlgG= -0.072013 logG= -0.013954 TDE= -0.084662 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005536 tlogG= -0.023759 logG= -0.029295 Density= 0.107273 ETOT(band)= -0.115795 trlgG= -0.145765 logG= -0.029295 TDE= -0.169555 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023235 logG= -0.028671 Density= 0.108189 ETOT(band)= -0.115072 trlgG= -0.144894 logG= -0.028671 TDE= -0.169760 logGD-logG0= -0.005009 tlogG= -0.023709 logG= -0.028718 Density= 0.107030 ETOT(band)= -0.115618 trlgG= -0.145463 logG= -0.028718 TDE= -0.169709 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023979 logG= -0.029108 Density= 0.106822 ETOT(band)= -0.115871 trlgG= -0.145859 logG= -0.029108 TDE= -0.169611 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001493 tlogG= -0.008055 logG= -0.009548 Density= 0.035344 ETOT(band)= -0.038645 trlgG= -0.048623 logG= -0.009548 TDE= -0.056564 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002749 tlogG= -0.012050 logG= -0.014799 logGD-logG0= -0.002625 tlogG= -0.010868 logG= -0.013492 Density= 0.054073 ETOT(band)= -0.057021 trlgG= -0.071074 logG= -0.013492 TDE= -0.084339 Density= 0.053772 ETOT(band)= -0.057940 trlgG= -0.073152 logG= -0.014799 TDE= -0.084962 logGD-logG0= -0.000210 tlogG= -0.000856 logG= -0.001066 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.004541 ETOT(band)= -0.004689 trlgG= -0.005818 logG= -0.001066 TDE= -0.006999 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.024015 logG= -0.028626 Density= 0.106260 ETOT(band)= -0.115842 trlgG= -0.145647 logG= -0.028626 TDE= -0.169604 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007825 logG= -0.009403 Density= 0.035522 ETOT(band)= -0.038506 trlgG= -0.048270 logG= -0.009403 TDE= -0.056446 logGD-logG0= -0.002569 tlogG= -0.012093 logG= -0.014662 Density= 0.053603 ETOT(band)= -0.057938 trlgG= -0.073120 logG= -0.014662 TDE= -0.084983 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.022221 logG= -0.027535 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108353 ETOT(band)= -0.114296 trlgG= -0.143066 logG= -0.027535 TDE= -0.169150 logGD-logG0= -0.004990 tlogG= -0.023563 logG= -0.028553 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106851 ETOT(band)= -0.115573 trlgG= -0.144976 logG= -0.028553 TDE= -0.169298 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005437 tlogG= -0.023006 logG= -0.028444 Density= 0.108140 ETOT(band)= -0.114972 trlgG= -0.144535 logG= -0.028444 TDE= -0.169605 logGD-logG0= -0.002740 tlogG= -0.011984 logG= -0.014724 Density= 0.054122 ETOT(band)= -0.057736 trlgG= -0.073061 logG= -0.014724 TDE= -0.085119 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005491 tlogG= -0.023442 logG= -0.028933 Density= 0.108123 ETOT(band)= -0.115245 trlgG= -0.145303 logG= -0.028933 TDE= -0.169875 logGD-logG0= -0.005361 tlogG= -0.022495 logG= -0.027856 Density= 0.108216 ETOT(band)= -0.114601 trlgG= -0.143605 logG= -0.027856 TDE= -0.169300 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005646 tlogG= -0.024068 logG= -0.029713 logGD-logG0= -0.005499 tlogG= -0.023949 logG= -0.029448 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108201 ETOT(band)= -0.115491 trlgG= -0.146120 logG= -0.029448 TDE= -0.170215 logGD-logG0= -0.004792 tlogG= -0.024102 logG= -0.028894 Density= 0.106472 ETOT(band)= -0.115885 trlgG= -0.145795 logG= -0.028894 TDE= -0.169588 logGD-logG0= -0.005125 tlogG= -0.023726 logG= -0.028851 logGD-logG0= -0.005506 tlogG= -0.023766 logG= -0.029273 Density= 0.107415 ETOT(band)= -0.115526 trlgG= -0.145411 logG= -0.028851 TDE= -0.169715 Density= 0.107881 ETOT(band)= -0.115815 trlgG= -0.146541 logG= -0.029713 TDE= -0.170213 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108158 ETOT(band)= -0.115412 trlgG= -0.145839 logG= -0.029273 TDE= -0.170088 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002807 tlogG= -0.011982 logG= -0.014789 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005585 tlogG= -0.023964 logG= -0.029550 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023730 logG= -0.028961 logGD-logG0= -0.005522 tlogG= -0.024002 logG= -0.029524 Density= 0.107469 ETOT(band)= -0.115862 trlgG= -0.146171 logG= -0.029524 TDE= -0.169828 Density= 0.107756 ETOT(band)= -0.115765 trlgG= -0.146255 logG= -0.029550 TDE= -0.170028 Density= 0.107040 ETOT(band)= -0.115705 trlgG= -0.145276 logG= -0.028961 TDE= -0.169284 Density= 0.053978 ETOT(band)= -0.057842 trlgG= -0.073161 logG= -0.014789 TDE= -0.085082 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005649 tlogG= -0.024138 logG= -0.029787 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107809 ETOT(band)= -0.115894 trlgG= -0.146653 logG= -0.029787 TDE= -0.170215 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023042 logG= -0.028029 Density= 0.106951 ETOT(band)= -0.115261 trlgG= -0.144185 logG= -0.028029 TDE= -0.169080 logGD-logG0= -0.004583 tlogG= -0.024091 logG= -0.028673 Density= 0.106210 ETOT(band)= -0.115881 trlgG= -0.145755 logG= -0.028673 TDE= -0.169640 logGD-logG0= -0.004897 tlogG= -0.023254 logG= -0.028152 Density= 0.106820 ETOT(band)= -0.115382 trlgG= -0.144477 logG= -0.028152 TDE= -0.169185 logGD-logG0= -0.005284 tlogG= -0.024127 logG= -0.029412 Density= 0.107407 ETOT(band)= -0.115834 trlgG= -0.146150 logG= -0.029412 TDE= -0.169889 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.023732 logG= -0.028662 logGD-logG0= -0.005560 tlogG= -0.024120 logG= -0.029680 Density= 0.107653 ETOT(band)= -0.115888 trlgG= -0.146454 logG= -0.029680 TDE= -0.170046 Density= 0.106674 ETOT(band)= -0.115709 trlgG= -0.145328 logG= -0.028662 TDE= -0.169454 logGD-logG0= -0.005162 tlogG= -0.022900 logG= -0.028063 logGD-logG0= -0.005311 tlogG= -0.022460 logG= -0.027771 Density= 0.107683 ETOT(band)= -0.114787 trlgG= -0.143442 logG= -0.027771 TDE= -0.168958 logGD-logG0= -0.005394 tlogG= -0.022936 logG= -0.028330 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107781 ETOT(band)= -0.114924 trlgG= -0.143972 logG= -0.028063 TDE= -0.169245 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107657 ETOT(band)= -0.115119 trlgG= -0.144319 logG= -0.028330 TDE= -0.169264 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005360 tlogG= -0.022767 logG= -0.028127 Density= 0.108253 ETOT(band)= -0.114743 trlgG= -0.144040 logG= -0.028127 TDE= -0.169482 logGD-logG0= -0.005478 tlogG= -0.023614 logG= -0.029092 Density= 0.108186 ETOT(band)= -0.115299 trlgG= -0.145553 logG= -0.029092 TDE= -0.169997 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005484 tlogG= -0.023874 logG= -0.029358 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.024089 logG= -0.029268 Density= 0.107102 ETOT(band)= -0.115874 trlgG= -0.146139 logG= -0.029268 TDE= -0.169870 Density= 0.108222 ETOT(band)= -0.115429 trlgG= -0.145976 logG= -0.029358 TDE= -0.170172 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022886 logG= -0.027935 Density= 0.107353 ETOT(band)= -0.115038 trlgG= -0.144064 logG= -0.027935 TDE= -0.169252 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005570 tlogG= -0.023271 logG= -0.028840 Density= 0.107709 ETOT(band)= -0.115373 trlgG= -0.145123 logG= -0.028840 TDE= -0.169582 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.048293 logG= -0.058670 logGD-logG0= -0.005632 tlogG= -0.023859 logG= -0.029491 Density= 0.214476 ETOT(band)= -0.231725 trlgG= -0.292381 logG= -0.058670 TDE= -0.339844 Density= 0.107911 ETOT(band)= -0.115650 trlgG= -0.146175 logG= -0.029491 TDE= -0.170083 logGD-logG0= -0.010023 tlogG= -0.047503 logG= -0.057525 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214404 ETOT(band)= -0.231149 trlgG= -0.290941 logG= -0.057525 TDE= -0.339513 logGD-logG0= -0.005662 tlogG= -0.023574 logG= -0.029236 logGD-logG0= -0.002572 tlogG= -0.010459 logG= -0.013031 Density= 0.054369 ETOT(band)= -0.056529 trlgG= -0.070263 logG= -0.013031 TDE= -0.084136 Density= 0.107809 ETOT(band)= -0.115545 trlgG= -0.145754 logG= -0.029236 TDE= -0.169867 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010245 tlogG= -0.047206 logG= -0.057451 Density= 0.213894 ETOT(band)= -0.231280 trlgG= -0.290765 logG= -0.057451 TDE= -0.339159 logGD-logG0= -0.010357 tlogG= -0.045658 logG= -0.056015 logGD-logG0= -0.010289 tlogG= -0.047314 logG= -0.057604 Density= 0.213913 ETOT(band)= -0.231322 trlgG= -0.290562 logG= -0.057604 TDE= -0.338813 logGD-logG0= -0.011085 tlogG= -0.047821 logG= -0.058906 Density= 0.214494 ETOT(band)= -0.230241 trlgG= -0.288187 logG= -0.056015 TDE= -0.338314 Density= 0.214818 ETOT(band)= -0.231678 trlgG= -0.292086 logG= -0.058906 TDE= -0.339483 logGD-logG0= -0.009618 tlogG= -0.047740 logG= -0.057358 logGD-logG0= -0.010520 tlogG= -0.047943 logG= -0.058463 Density= 0.213093 ETOT(band)= -0.231520 trlgG= -0.290896 logG= -0.057358 TDE= -0.338987 logGD-logG0= -0.005233 tlogG= -0.021621 logG= -0.026855 Density= 0.108509 ETOT(band)= -0.113770 trlgG= -0.141926 logG= -0.026855 TDE= -0.168767 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214073 ETOT(band)= -0.231733 trlgG= -0.292030 logG= -0.058463 TDE= -0.339501 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005622 tlogG= -0.024042 logG= -0.029664 logGD-logG0= -0.010084 tlogG= -0.045841 logG= -0.055925 Density= 0.107937 ETOT(band)= -0.115755 trlgG= -0.146464 logG= -0.029664 TDE= -0.170212 logGD-logG0= -0.011040 tlogG= -0.048161 logG= -0.059201 logGD-logG0= -0.010007 tlogG= -0.048079 logG= -0.058087 Density= 0.215108 ETOT(band)= -0.229938 trlgG= -0.288062 logG= -0.055925 TDE= -0.338584 Density= 0.213418 ETOT(band)= -0.231748 trlgG= -0.291486 logG= -0.058087 TDE= -0.339009 Density= 0.215107 ETOT(band)= -0.231753 trlgG= -0.292616 logG= -0.059201 TDE= -0.339861 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010874 tlogG= -0.048074 logG= -0.058948 logGD-logG0= -0.011307 tlogG= -0.047509 logG= -0.058816 logGD-logG0= -0.011108 tlogG= -0.048107 logG= -0.059215 Density= 0.215142 ETOT(band)= -0.231745 trlgG= -0.292641 logG= -0.059215 TDE= -0.339889 Density= 0.215704 ETOT(band)= -0.231257 trlgG= -0.292069 logG= -0.058816 TDE= -0.339994 logGD-logG0= -0.010635 tlogG= -0.048093 logG= -0.058729 logGD-logG0= -0.001737 tlogG= -0.007012 logG= -0.008748 Density= 0.036194 ETOT(band)= -0.037760 trlgG= -0.046954 logG= -0.008748 TDE= -0.056117 Density= 0.215113 ETOT(band)= -0.231607 trlgG= -0.292203 logG= -0.058948 TDE= -0.339703 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011242 tlogG= -0.047916 logG= -0.059158 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214604 ETOT(band)= -0.231681 trlgG= -0.292152 logG= -0.058729 TDE= -0.339621 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215880 ETOT(band)= -0.231386 trlgG= -0.292642 logG= -0.059158 TDE= -0.340312 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011293 tlogG= -0.047860 logG= -0.059153 logGD-logG0= -0.010943 tlogG= -0.047863 logG= -0.058807 Density= 0.214724 ETOT(band)= -0.231663 trlgG= -0.291938 logG= -0.058807 TDE= -0.339388 logGD-logG0= -0.010842 tlogG= -0.047508 logG= -0.058351 Density= 0.214362 ETOT(band)= -0.231536 trlgG= -0.291283 logG= -0.058351 TDE= -0.339009 logGD-logG0= -0.011112 tlogG= -0.047553 logG= -0.058665 Density= 0.215489 ETOT(band)= -0.231276 trlgG= -0.291805 logG= -0.058665 TDE= -0.339774 logGD-logG0= -0.010629 tlogG= -0.047834 logG= -0.058463 Density= 0.214060 ETOT(band)= -0.231718 trlgG= -0.291785 logG= -0.058463 TDE= -0.339249 Density= 0.215760 ETOT(band)= -0.231445 trlgG= -0.292624 logG= -0.059153 TDE= -0.340240 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.046528 logG= -0.057263 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215285 ETOT(band)= -0.230589 trlgG= -0.289578 logG= -0.057263 TDE= -0.338848 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011204 tlogG= -0.048258 logG= -0.059462 logGD-logG0= -0.010448 tlogG= -0.045746 logG= -0.056195 Density= 0.215435 ETOT(band)= -0.231789 trlgG= -0.293095 logG= -0.059462 TDE= -0.340240 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011150 tlogG= -0.047020 logG= -0.058170 Density= 0.215241 ETOT(band)= -0.230021 trlgG= -0.288068 logG= -0.056195 TDE= -0.338386 Density= 0.215466 ETOT(band)= -0.230999 trlgG= -0.291018 logG= -0.058170 TDE= -0.339471 logGD-logG0= -0.010366 tlogG= -0.047293 logG= -0.057659 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010651 tlogG= -0.047255 logG= -0.057907 Density= 0.215206 ETOT(band)= -0.230985 trlgG= -0.290598 logG= -0.057907 TDE= -0.339186 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214571 ETOT(band)= -0.231121 trlgG= -0.290733 logG= -0.057659 TDE= -0.339255 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.021868 logG= -0.027252 Density= 0.107831 ETOT(band)= -0.114371 trlgG= -0.142598 logG= -0.027252 TDE= -0.168706 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005318 tlogG= -0.021924 logG= -0.027242 Density= 0.108328 ETOT(band)= -0.114121 trlgG= -0.142582 logG= -0.027242 TDE= -0.168947 logGD-logG0= -0.001790 tlogG= -0.007324 logG= -0.009114 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035863 ETOT(band)= -0.038182 trlgG= -0.047579 logG= -0.009114 TDE= -0.056212 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005159 tlogG= -0.021053 logG= -0.026212 Density= 0.108694 ETOT(band)= -0.113199 trlgG= -0.140798 logG= -0.026212 TDE= -0.168373 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005331 tlogG= -0.021745 logG= -0.027076 Density= 0.107966 ETOT(band)= -0.114189 trlgG= -0.142304 logG= -0.027076 TDE= -0.168655 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010649 tlogG= -0.043506 logG= -0.054155 Density= 0.216317 ETOT(band)= -0.228198 trlgG= -0.284619 logG= -0.054155 TDE= -0.337508 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001318 tlogG= -0.005630 logG= -0.006948 Density= 0.080860 ETOT(band)= -0.086097 trlgG= -0.107890 logG= -0.006948 TDE= -0.042340 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001340 tlogG= -0.005755 logG= -0.007095 Density= 0.080658 ETOT(band)= -0.086511 trlgG= -0.108871 logG= -0.007095 TDE= -0.042413 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005368 tlogG= -0.023980 logG= -0.029348 Density= 0.214428 ETOT(band)= -0.231675 trlgG= -0.291824 logG= -0.029348 TDE= -0.169736 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005548 tlogG= -0.023422 logG= -0.028970 Density= 0.216195 ETOT(band)= -0.230387 trlgG= -0.290246 logG= -0.028970 TDE= -0.169829 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023854 logG= -0.028981 Density= 0.213699 ETOT(band)= -0.231674 trlgG= -0.291663 logG= -0.028981 TDE= -0.169712 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.023400 logG= -0.028352 Density= 0.214288 ETOT(band)= -0.230948 trlgG= -0.290327 logG= -0.028352 TDE= -0.169588 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005482 logG= -0.006788 Density= 0.081207 ETOT(band)= -0.085511 trlgG= -0.106681 logG= -0.006788 TDE= -0.042246 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005407 tlogG= -0.022504 logG= -0.027910 Density= 0.216390 ETOT(band)= -0.229007 trlgG= -0.286749 logG= -0.027910 TDE= -0.169235 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001365 tlogG= -0.005941 logG= -0.007306 Density= 0.080835 ETOT(band)= -0.086776 trlgG= -0.109593 logG= -0.007306 TDE= -0.042527 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.023632 logG= -0.028384 Density= 0.212798 ETOT(band)= -0.231461 trlgG= -0.290717 logG= -0.028384 TDE= -0.169405 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.023948 logG= -0.028797 Density= 0.213443 ETOT(band)= -0.231368 trlgG= -0.290535 logG= -0.028797 TDE= -0.169510 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005189 logG= -0.006460 Density= 0.062564 ETOT(band)= -0.066847 trlgG= -0.083651 logG= -0.006460 TDE= -0.042038 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004555 tlogG= -0.024170 logG= -0.028725 Density= 0.212357 ETOT(band)= -0.231808 trlgG= -0.291630 logG= -0.028725 TDE= -0.169677 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001365 tlogG= -0.005985 logG= -0.007350 Density= 0.081048 ETOT(band)= -0.086698 trlgG= -0.109671 logG= -0.007350 TDE= -0.042556 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001521 tlogG= -0.007977 logG= -0.009498 Density= 0.070928 ETOT(band)= -0.077106 trlgG= -0.096776 logG= -0.009498 TDE= -0.056528 logGD-logG0= -0.001358 tlogG= -0.005860 logG= -0.007218 Density= 0.080664 ETOT(band)= -0.086727 trlgG= -0.109422 logG= -0.007218 TDE= -0.042475 logGD-logG0= -0.005579 tlogG= -0.023990 logG= -0.029570 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215681 ETOT(band)= -0.231538 trlgG= -0.292767 logG= -0.029570 TDE= -0.170201 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005520 tlogG= -0.023555 logG= -0.029075 logGD-logG0= -0.005608 tlogG= -0.023792 logG= -0.029400 Density= 0.215357 ETOT(band)= -0.231418 trlgG= -0.292181 logG= -0.029400 TDE= -0.170050 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215262 ETOT(band)= -0.230977 trlgG= -0.290917 logG= -0.029075 TDE= -0.169799 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005662 tlogG= -0.024106 logG= -0.029769 Density= 0.215710 ETOT(band)= -0.231689 trlgG= -0.293168 logG= -0.029769 TDE= -0.170217 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.023401 logG= -0.028383 Density= 0.321773 ETOT(band)= -0.346446 trlgG= -0.435776 logG= -0.028383 TDE= -0.169585 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.024031 logG= -0.029096 Density= 0.321682 ETOT(band)= -0.347480 trlgG= -0.438327 logG= -0.029096 TDE= -0.169901 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005544 tlogG= -0.023993 logG= -0.029537 Density= 0.216308 ETOT(band)= -0.231083 trlgG= -0.292384 logG= -0.029537 TDE= -0.170224 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011055 tlogG= -0.046499 logG= -0.057554 Density= 0.324025 ETOT(band)= -0.345456 trlgG= -0.434627 logG= -0.057554 TDE= -0.339368 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.024183 logG= -0.029492 Density= 0.214798 ETOT(band)= -0.231776 trlgG= -0.292468 logG= -0.029492 TDE= -0.169916 logGD-logG0= -0.005332 tlogG= -0.024192 logG= -0.029525 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322504 ETOT(band)= -0.347656 trlgG= -0.438911 logG= -0.029525 TDE= -0.169916 logGD-logG0= -0.005141 tlogG= -0.023967 logG= -0.029107 Density= 0.213917 ETOT(band)= -0.231550 trlgG= -0.290953 logG= -0.029107 TDE= -0.169457 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005355 tlogG= -0.023893 logG= -0.029248 Density= 0.215509 ETOT(band)= -0.231425 trlgG= -0.292218 logG= -0.029248 TDE= -0.169738 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.023304 logG= -0.028614 Density= 0.321838 ETOT(band)= -0.346951 trlgG= -0.436561 logG= -0.028614 TDE= -0.169496 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011113 tlogG= -0.047776 logG= -0.058889 logGD-logG0= -0.004820 tlogG= -0.024031 logG= -0.028851 logGD-logG0= -0.011242 tlogG= -0.048143 logG= -0.059386 Density= 0.212974 ETOT(band)= -0.231744 trlgG= -0.291501 logG= -0.028851 TDE= -0.169557 Density= 0.323260 ETOT(band)= -0.347477 trlgG= -0.439234 logG= -0.059386 TDE= -0.340236 Density= 0.324300 ETOT(band)= -0.346516 trlgG= -0.438059 logG= -0.058889 TDE= -0.340289 logGD-logG0= -0.001694 tlogG= -0.006898 logG= -0.008592 Density= 0.040836 ETOT(band)= -0.042272 trlgG= -0.052484 logG= -0.008592 TDE= -0.056035 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010731 tlogG= -0.045769 logG= -0.056501 Density= 0.324105 ETOT(band)= -0.344508 trlgG= -0.432044 logG= -0.056501 TDE= -0.338771 logGD-logG0= -0.011144 tlogG= -0.047236 logG= -0.058380 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324118 ETOT(band)= -0.346130 trlgG= -0.436704 logG= -0.058380 TDE= -0.339906 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023783 logG= -0.028478 Density= 0.213261 ETOT(band)= -0.231086 trlgG= -0.289770 logG= -0.028478 TDE= -0.169487 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005522 tlogG= -0.024136 logG= -0.029657 Density= 0.323084 ETOT(band)= -0.347666 trlgG= -0.439509 logG= -0.029657 TDE= -0.170027 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.023270 logG= -0.028348 Density= 0.213643 ETOT(band)= -0.231142 trlgG= -0.290159 logG= -0.028348 TDE= -0.169416 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005537 tlogG= -0.023952 logG= -0.029489 Density= 0.216342 ETOT(band)= -0.230984 trlgG= -0.292161 logG= -0.029489 TDE= -0.170199 logGD-logG0= -0.005551 tlogG= -0.023761 logG= -0.029312 Density= 0.216250 ETOT(band)= -0.230777 trlgG= -0.291451 logG= -0.029312 TDE= -0.170061 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005709 tlogG= -0.023887 logG= -0.029596 Density= 0.215648 ETOT(band)= -0.231442 trlgG= -0.292503 logG= -0.029596 TDE= -0.170046 logGD-logG0= -0.005504 tlogG= -0.022992 logG= -0.028496 Density= 0.216246 ETOT(band)= -0.229809 trlgG= -0.288649 logG= -0.028496 TDE= -0.169554 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.024028 logG= -0.029062 Density= 0.214212 ETOT(band)= -0.231650 trlgG= -0.292098 logG= -0.029062 TDE= -0.169901 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.022976 logG= -0.028201 Density= 0.214913 ETOT(band)= -0.230018 trlgG= -0.287704 logG= -0.028201 TDE= -0.169124 logGD-logG0= -0.005695 tlogG= -0.023945 logG= -0.029640 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323648 ETOT(band)= -0.347195 trlgG= -0.439046 logG= -0.029640 TDE= -0.170093 logGD-logG0= -0.005666 tlogG= -0.023451 logG= -0.029117 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215169 ETOT(band)= -0.230996 trlgG= -0.290642 logG= -0.029117 TDE= -0.169579 logGD-logG0= -0.001288 tlogG= -0.005323 logG= -0.006611 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010721 tlogG= -0.048205 logG= -0.058925 logGD-logG0= -0.005404 tlogG= -0.023286 logG= -0.028689 Density= 0.429431 ETOT(band)= -0.463471 trlgG= -0.584486 logG= -0.058925 TDE= -0.339675 logGD-logG0= -0.005748 tlogG= -0.023680 logG= -0.029428 Density= 0.214964 ETOT(band)= -0.230576 trlgG= -0.289171 logG= -0.028689 TDE= -0.169263 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215435 ETOT(band)= -0.231277 trlgG= -0.291792 logG= -0.029428 TDE= -0.169869 Density= 0.081544 ETOT(band)= -0.084872 trlgG= -0.105563 logG= -0.006611 TDE= -0.042138 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005237 tlogG= -0.021359 logG= -0.026596 Density= 0.162631 ETOT(band)= -0.171320 trlgG= -0.214542 logG= -0.026596 TDE= -0.168581 logGD-logG0= -0.010266 tlogG= -0.046689 logG= -0.056954 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322821 ETOT(band)= -0.345477 trlgG= -0.433515 logG= -0.056954 TDE= -0.339002 logGD-logG0= -0.009959 tlogG= -0.046834 logG= -0.056793 Density= 0.428178 ETOT(band)= -0.461248 trlgG= -0.577801 logG= -0.056793 TDE= -0.338562 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009452 tlogG= -0.048198 logG= -0.057649 Density= 0.425876 ETOT(band)= -0.463285 trlgG= -0.582462 logG= -0.057649 TDE= -0.339212 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010224 tlogG= -0.047885 logG= -0.058109 logGD-logG0= -0.010095 tlogG= -0.046669 logG= -0.056765 Density= 0.428335 ETOT(band)= -0.461981 trlgG= -0.580410 logG= -0.056765 TDE= -0.338997 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428241 ETOT(band)= -0.463269 trlgG= -0.583768 logG= -0.058109 TDE= -0.339609 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010841 tlogG= -0.048299 logG= -0.059139 Density= 0.430116 ETOT(band)= -0.463523 trlgG= -0.585144 logG= -0.059139 TDE= -0.339744 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011407 tlogG= -0.047705 logG= -0.059113 logGD-logG0= -0.010066 tlogG= -0.047919 logG= -0.057985 Density= 0.431114 ETOT(band)= -0.462818 trlgG= -0.584584 logG= -0.059113 TDE= -0.339998 Density= 0.427456 ETOT(band)= -0.462972 trlgG= -0.581792 logG= -0.057985 TDE= -0.338917 logGD-logG0= -0.011039 tlogG= -0.048163 logG= -0.059202 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430219 ETOT(band)= -0.463361 trlgG= -0.584816 logG= -0.059202 TDE= -0.339856 logGD-logG0= -0.011198 tlogG= -0.047842 logG= -0.059040 Density= 0.430798 ETOT(band)= -0.462842 trlgG= -0.584187 logG= -0.059040 TDE= -0.339887 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010392 tlogG= -0.047921 logG= -0.058313 Density= 0.429281 ETOT(band)= -0.463121 trlgG= -0.583860 logG= -0.058313 TDE= -0.339627 logGD-logG0= -0.010709 tlogG= -0.047837 logG= -0.058546 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428496 ETOT(band)= -0.463270 trlgG= -0.583114 logG= -0.058546 TDE= -0.339250 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010107 tlogG= -0.047806 logG= -0.057914 Density= 0.426957 ETOT(band)= -0.463385 trlgG= -0.582849 logG= -0.057914 TDE= -0.339119 logGD-logG0= -0.010880 tlogG= -0.048023 logG= -0.058903 Density= 0.429343 ETOT(band)= -0.463423 trlgG= -0.584124 logG= -0.058903 TDE= -0.339488 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010570 tlogG= -0.047616 logG= -0.058186 Density= 0.428805 ETOT(band)= -0.462640 trlgG= -0.582214 logG= -0.058186 TDE= -0.339308 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011355 tlogG= -0.048006 logG= -0.059361 Density= 0.431328 ETOT(band)= -0.463108 trlgG= -0.585570 logG= -0.059361 TDE= -0.340259 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011261 tlogG= -0.047378 logG= -0.058639 logGD-logG0= -0.010507 tlogG= -0.046475 logG= -0.056983 Density= 0.430566 ETOT(band)= -0.462405 trlgG= -0.582725 logG= -0.058639 TDE= -0.339511 Density= 0.429739 ETOT(band)= -0.460789 trlgG= -0.577616 logG= -0.056983 TDE= -0.338710 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.047660 logG= -0.058459 Density= 0.430126 ETOT(band)= -0.462384 trlgG= -0.582036 logG= -0.058459 TDE= -0.339333 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010872 tlogG= -0.047024 logG= -0.057897 Density= 0.430036 ETOT(band)= -0.461730 trlgG= -0.580107 logG= -0.057897 TDE= -0.338902 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.044745 logG= -0.055300 Density= 0.324350 ETOT(band)= -0.343256 trlgG= -0.429106 logG= -0.055300 TDE= -0.338123 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.022377 logG= -0.027522 Density= 0.322993 ETOT(band)= -0.344461 trlgG= -0.431143 logG= -0.027522 TDE= -0.168945 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001803 tlogG= -0.007132 logG= -0.008935 Density= 0.072237 ETOT(band)= -0.075734 trlgG= -0.094239 logG= -0.008935 TDE= -0.056186 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005256 tlogG= -0.022331 logG= -0.027588 Density= 0.214400 ETOT(band)= -0.230025 trlgG= -0.287456 logG= -0.027588 TDE= -0.168855 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005208 tlogG= -0.022538 logG= -0.027746 Density= 0.215136 ETOT(band)= -0.229294 trlgG= -0.286112 logG= -0.027746 TDE= -0.168867 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.022371 logG= -0.027478 Density= 0.215122 ETOT(band)= -0.229592 trlgG= -0.287161 logG= -0.027478 TDE= -0.168948 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005400 tlogG= -0.021928 logG= -0.027328 Density= 0.216642 ETOT(band)= -0.228042 trlgG= -0.284653 logG= -0.027328 TDE= -0.168909 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005319 tlogG= -0.021403 logG= -0.026722 Density= 0.217017 ETOT(band)= -0.226967 trlgG= -0.282505 logG= -0.026722 TDE= -0.168588 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005280 tlogG= -0.021261 logG= -0.026541 Density= 0.216386 ETOT(band)= -0.227775 trlgG= -0.283692 logG= -0.026541 TDE= -0.168498 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010432 tlogG= -0.044717 logG= -0.055148 Density= 0.431735 ETOT(band)= -0.457471 trlgG= -0.570974 logG= -0.055148 TDE= -0.337806 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001668 tlogG= -0.007607 logG= -0.009275 Density= 0.071545 ETOT(band)= -0.076545 trlgG= -0.095505 logG= -0.009275 TDE= -0.056308 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.516927783650 eV TrLogG= -404.519052834214 eV Ratio to renormalize= 0.999730032055 rho-rho_expected= 0.005940898633 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 76) Finished k-point number 154 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 124 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.962473424689178 0.935998406096806 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000210 tlogG= -0.000857 logG= -0.001066 Density= 0.004542 ETOT(band)= -0.004691 trlgG= -0.005821 logG= -0.001066 TDE= -0.007002 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007832 logG= -0.009409 Density= 0.035526 ETOT(band)= -0.038523 trlgG= -0.048295 logG= -0.009409 TDE= -0.056466 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004581 tlogG= -0.024112 logG= -0.028693 Density= 0.106221 ETOT(band)= -0.115934 trlgG= -0.145830 logG= -0.028693 TDE= -0.169700 logGD-logG0= -0.002567 tlogG= -0.012105 logG= -0.014672 logGD-logG0= -0.002746 tlogG= -0.012062 logG= -0.014809 Density= 0.053780 ETOT(band)= -0.057965 trlgG= -0.073190 logG= -0.014809 TDE= -0.084995 Density= 0.053610 ETOT(band)= -0.057963 trlgG= -0.073157 logG= -0.014672 TDE= -0.085014 logGD-logG0= -0.002473 tlogG= -0.011908 logG= -0.014381 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053591 ETOT(band)= -0.057819 trlgG= -0.072797 logG= -0.014381 TDE= -0.084935 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001493 tlogG= -0.008062 logG= -0.009555 Density= 0.035348 ETOT(band)= -0.038663 trlgG= -0.048648 logG= -0.009555 TDE= -0.056585 logGD-logG0= -0.002734 tlogG= -0.011999 logG= -0.014733 logGD-logG0= -0.002484 tlogG= -0.011478 logG= -0.013963 logGD-logG0= -0.004989 tlogG= -0.023582 logG= -0.028572 Density= 0.054131 ETOT(band)= -0.057759 trlgG= -0.073097 logG= -0.014733 TDE= -0.085151 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106864 ETOT(band)= -0.115624 trlgG= -0.145047 logG= -0.028572 TDE= -0.169356 Density= 0.053766 ETOT(band)= -0.057501 trlgG= -0.072049 logG= -0.013963 TDE= -0.084692 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004985 tlogG= -0.023062 logG= -0.028047 Density= 0.106963 ETOT(band)= -0.115311 trlgG= -0.144258 logG= -0.028047 TDE= -0.169142 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005487 tlogG= -0.023978 logG= -0.029466 Density= 0.108219 ETOT(band)= -0.115538 trlgG= -0.146193 logG= -0.029466 TDE= -0.170280 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005495 tlogG= -0.023795 logG= -0.029291 logGD-logG0= -0.005481 tlogG= -0.023470 logG= -0.028951 Density= 0.108176 ETOT(band)= -0.115459 trlgG= -0.145912 logG= -0.029291 TDE= -0.170152 logGD-logG0= -0.005556 tlogG= -0.024143 logG= -0.029699 Density= 0.108140 ETOT(band)= -0.115292 trlgG= -0.145376 logG= -0.028951 TDE= -0.169939 Density= 0.107669 ETOT(band)= -0.115937 trlgG= -0.146531 logG= -0.029699 TDE= -0.170112 logGD-logG0= -0.004609 tlogG= -0.024036 logG= -0.028645 Density= 0.106271 ETOT(band)= -0.115894 trlgG= -0.145721 logG= -0.028645 TDE= -0.169665 logGD-logG0= -0.005428 tlogG= -0.023034 logG= -0.028461 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108156 ETOT(band)= -0.115019 trlgG= -0.144608 logG= -0.028461 TDE= -0.169668 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.024152 logG= -0.029431 logGD-logG0= -0.005120 tlogG= -0.023750 logG= -0.028870 Density= 0.107430 ETOT(band)= -0.115576 trlgG= -0.145484 logG= -0.028870 TDE= -0.169776 logGD-logG0= -0.004792 tlogG= -0.024122 logG= -0.028914 Density= 0.107423 ETOT(band)= -0.115883 trlgG= -0.146222 logG= -0.029431 TDE= -0.169950 Density= 0.106484 ETOT(band)= -0.115937 trlgG= -0.145868 logG= -0.028914 TDE= -0.169647 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005635 tlogG= -0.024098 logG= -0.029732 logGD-logG0= -0.004896 tlogG= -0.023275 logG= -0.028170 Density= 0.106832 ETOT(band)= -0.115433 trlgG= -0.144549 logG= -0.028170 TDE= -0.169245 logGD-logG0= -0.005232 tlogG= -0.023749 logG= -0.028980 Density= 0.107055 ETOT(band)= -0.115755 trlgG= -0.145346 logG= -0.028980 TDE= -0.169342 logGD-logG0= -0.005582 tlogG= -0.023987 logG= -0.029569 logGD-logG0= -0.005538 tlogG= -0.023775 logG= -0.029314 Density= 0.107773 ETOT(band)= -0.115813 trlgG= -0.146331 logG= -0.029569 TDE= -0.170094 Density= 0.107289 ETOT(band)= -0.115844 trlgG= -0.145842 logG= -0.029314 TDE= -0.169620 logGD-logG0= -0.005517 tlogG= -0.024026 logG= -0.029544 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107899 ETOT(band)= -0.115863 trlgG= -0.146617 logG= -0.029732 TDE= -0.170278 logGD-logG0= -0.002802 tlogG= -0.011997 logG= -0.014798 Density= 0.053987 ETOT(band)= -0.057866 trlgG= -0.073198 logG= -0.014798 TDE= -0.085115 logGD-logG0= -0.005351 tlogG= -0.022522 logG= -0.027873 Density= 0.107485 ETOT(band)= -0.115911 trlgG= -0.146248 logG= -0.029544 TDE= -0.169894 22) Finished k-point 45 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001790 tlogG= -0.007330 logG= -0.009120 Density= 0.035868 ETOT(band)= -0.038198 trlgG= -0.047603 logG= -0.009120 TDE= -0.056233 Density= 0.108232 ETOT(band)= -0.114649 trlgG= -0.143677 logG= -0.027873 TDE= -0.169362 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005644 tlogG= -0.024162 logG= -0.029806 logGD-logG0= -0.005473 tlogG= -0.023903 logG= -0.029376 Density= 0.107826 ETOT(band)= -0.115943 trlgG= -0.146729 logG= -0.029806 TDE= -0.170281 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108240 ETOT(band)= -0.115476 trlgG= -0.146049 logG= -0.029376 TDE= -0.170236 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.022794 logG= -0.028145 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108269 ETOT(band)= -0.114790 trlgG= -0.144112 logG= -0.028145 TDE= -0.169544 logGD-logG0= -0.004929 tlogG= -0.023752 logG= -0.028681 logGD-logG0= -0.005003 tlogG= -0.023734 logG= -0.028737 logGD-logG0= -0.005426 tlogG= -0.023263 logG= -0.028689 Density= 0.108206 ETOT(band)= -0.115119 trlgG= -0.144967 logG= -0.028689 TDE= -0.169823 Density= 0.107044 ETOT(band)= -0.115668 trlgG= -0.145538 logG= -0.028737 TDE= -0.169771 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023997 logG= -0.029127 Density= 0.106835 ETOT(band)= -0.115922 trlgG= -0.145934 logG= -0.029127 TDE= -0.169674 logGD-logG0= -0.005157 tlogG= -0.022923 logG= -0.028080 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106686 ETOT(band)= -0.115760 trlgG= -0.145404 logG= -0.028681 TDE= -0.169517 Density= 0.107796 ETOT(band)= -0.114972 trlgG= -0.144043 logG= -0.028080 TDE= -0.169305 logGD-logG0= -0.005305 tlogG= -0.022483 logG= -0.027788 Density= 0.107697 ETOT(band)= -0.114835 trlgG= -0.143515 logG= -0.027788 TDE= -0.169021 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005389 tlogG= -0.022958 logG= -0.028348 Density= 0.107672 ETOT(band)= -0.115167 trlgG= -0.144394 logG= -0.028348 TDE= -0.169328 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005468 tlogG= -0.023642 logG= -0.029110 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108204 ETOT(band)= -0.115346 trlgG= -0.145626 logG= -0.029110 TDE= -0.170061 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005620 tlogG= -0.023889 logG= -0.029510 Density= 0.107928 ETOT(band)= -0.115698 trlgG= -0.146250 logG= -0.029510 TDE= -0.170148 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.022910 logG= -0.027953 Density= 0.107366 ETOT(band)= -0.115087 trlgG= -0.144136 logG= -0.027953 TDE= -0.169314 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.024114 logG= -0.029287 Density= 0.107116 ETOT(band)= -0.115924 trlgG= -0.146213 logG= -0.029287 TDE= -0.169932 logGD-logG0= -0.005567 tlogG= -0.023292 logG= -0.028859 Density= 0.107725 ETOT(band)= -0.115422 trlgG= -0.145197 logG= -0.028859 TDE= -0.169646 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010366 tlogG= -0.048343 logG= -0.058709 logGD-logG0= -0.010011 tlogG= -0.047552 logG= -0.057563 Density= 0.214432 ETOT(band)= -0.231249 trlgG= -0.291088 logG= -0.057563 TDE= -0.339637 Density= 0.214507 ETOT(band)= -0.231825 trlgG= -0.292528 logG= -0.058709 TDE= -0.339968 logGD-logG0= -0.005611 tlogG= -0.024072 logG= -0.029683 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107954 ETOT(band)= -0.115803 trlgG= -0.146539 logG= -0.029683 TDE= -0.170278 logGD-logG0= -0.009617 tlogG= -0.047780 logG= -0.057397 Density= 0.213118 ETOT(band)= -0.231623 trlgG= -0.291041 logG= -0.057397 TDE= -0.339106 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010509 tlogG= -0.047993 logG= -0.058502 Density= 0.214102 ETOT(band)= -0.231834 trlgG= -0.292179 logG= -0.058502 TDE= -0.339625 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011076 tlogG= -0.047869 logG= -0.058944 logGD-logG0= -0.010008 tlogG= -0.048118 logG= -0.058126 Density= 0.214850 ETOT(band)= -0.231776 trlgG= -0.292240 logG= -0.058944 TDE= -0.339614 logGD-logG0= -0.010233 tlogG= -0.047256 logG= -0.057489 Density= 0.213445 ETOT(band)= -0.231850 trlgG= -0.291629 logG= -0.058126 TDE= -0.339126 logGD-logG0= -0.011030 tlogG= -0.048209 logG= -0.059239 Density= 0.215140 ETOT(band)= -0.231851 trlgG= -0.292770 logG= -0.059239 TDE= -0.339993 Density= 0.213920 ETOT(band)= -0.231381 trlgG= -0.290914 logG= -0.057489 TDE= -0.339283 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010345 tlogG= -0.045706 logG= -0.056051 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010866 tlogG= -0.048121 logG= -0.058986 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214520 ETOT(band)= -0.230340 trlgG= -0.288333 logG= -0.056051 TDE= -0.338437 Density= 0.215145 ETOT(band)= -0.231704 trlgG= -0.292356 logG= -0.058986 TDE= -0.339835 logGD-logG0= -0.010290 tlogG= -0.047352 logG= -0.057642 logGD-logG0= -0.010072 tlogG= -0.045888 logG= -0.055961 Density= 0.213940 ETOT(band)= -0.231423 trlgG= -0.290710 logG= -0.057642 TDE= -0.338937 Density= 0.215137 ETOT(band)= -0.230035 trlgG= -0.288206 logG= -0.055961 TDE= -0.338706 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011099 tlogG= -0.048154 logG= -0.059253 Density= 0.215175 ETOT(band)= -0.231842 trlgG= -0.292795 logG= -0.059253 TDE= -0.340021 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011220 tlogG= -0.047975 logG= -0.059195 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215915 ETOT(band)= -0.231482 trlgG= -0.292792 logG= -0.059195 TDE= -0.340442 logGD-logG0= -0.010625 tlogG= -0.048142 logG= -0.058767 logGD-logG0= -0.010934 tlogG= -0.047911 logG= -0.058845 Density= 0.214756 ETOT(band)= -0.231761 trlgG= -0.292087 logG= -0.058845 TDE= -0.339514 Density= 0.214635 ETOT(band)= -0.231780 trlgG= -0.292299 logG= -0.058767 TDE= -0.339744 logGD-logG0= -0.001733 tlogG= -0.007020 logG= -0.008753 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010847 tlogG= -0.047542 logG= -0.058389 Density= 0.214392 ETOT(band)= -0.231635 trlgG= -0.291430 logG= -0.058389 TDE= -0.339132 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036199 ETOT(band)= -0.037775 trlgG= -0.046977 logG= -0.008753 TDE= -0.056137 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002567 tlogG= -0.010471 logG= -0.013038 logGD-logG0= -0.005651 tlogG= -0.023603 logG= -0.029254 logGD-logG0= -0.011105 tlogG= -0.047598 logG= -0.058703 Density= 0.215522 ETOT(band)= -0.231372 trlgG= -0.291956 logG= -0.058703 TDE= -0.339904 logGD-logG0= -0.011270 tlogG= -0.047920 logG= -0.059190 Density= 0.215795 ETOT(band)= -0.231541 trlgG= -0.292775 logG= -0.059190 TDE= -0.340371 Density= 0.107825 ETOT(band)= -0.115593 trlgG= -0.145829 logG= -0.029254 TDE= -0.169932 Density= 0.054377 ETOT(band)= -0.056552 trlgG= -0.070297 logG= -0.013038 TDE= -0.084167 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010727 tlogG= -0.046573 logG= -0.057300 Density= 0.215316 ETOT(band)= -0.230686 trlgG= -0.289727 logG= -0.057300 TDE= -0.338977 logGD-logG0= -0.010438 tlogG= -0.045793 logG= -0.056231 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011285 tlogG= -0.047568 logG= -0.058853 Density= 0.215738 ETOT(band)= -0.231352 trlgG= -0.292219 logG= -0.058853 TDE= -0.340124 logGD-logG0= -0.010642 tlogG= -0.047302 logG= -0.057944 logGD-logG0= -0.011197 tlogG= -0.048304 logG= -0.059501 Density= 0.215469 ETOT(band)= -0.231887 trlgG= -0.293249 logG= -0.059501 TDE= -0.340372 Density= 0.215238 ETOT(band)= -0.231082 trlgG= -0.290744 logG= -0.057944 TDE= -0.339310 Density= 0.215270 ETOT(band)= -0.230118 trlgG= -0.288211 logG= -0.056231 TDE= -0.338507 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010355 tlogG= -0.047342 logG= -0.057697 Density= 0.214600 ETOT(band)= -0.231220 trlgG= -0.290879 logG= -0.057697 TDE= -0.339377 logGD-logG0= -0.011143 tlogG= -0.047064 logG= -0.058207 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010633 tlogG= -0.047869 logG= -0.058502 Density= 0.215499 ETOT(band)= -0.231095 trlgG= -0.291168 logG= -0.058207 TDE= -0.339600 Density= 0.214089 ETOT(band)= -0.231819 trlgG= -0.291933 logG= -0.058502 TDE= -0.339373 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.021891 logG= -0.027269 Density= 0.107846 ETOT(band)= -0.114419 trlgG= -0.142670 logG= -0.027269 TDE= -0.168768 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002622 tlogG= -0.010879 logG= -0.013501 Density= 0.054081 ETOT(band)= -0.057045 trlgG= -0.071109 logG= -0.013501 TDE= -0.084370 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005224 tlogG= -0.021647 logG= -0.026871 logGD-logG0= -0.005308 tlogG= -0.021950 logG= -0.027258 Density= 0.108344 ETOT(band)= -0.114168 trlgG= -0.142653 logG= -0.027258 TDE= -0.169008 Density= 0.108525 ETOT(band)= -0.113816 trlgG= -0.141995 logG= -0.026871 TDE= -0.168828 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005149 tlogG= -0.021078 logG= -0.026228 logGD-logG0= -0.005304 tlogG= -0.022247 logG= -0.027551 Density= 0.108710 ETOT(band)= -0.113245 trlgG= -0.140866 logG= -0.026228 TDE= -0.168433 Density= 0.108369 ETOT(band)= -0.114343 trlgG= -0.143137 logG= -0.027551 TDE= -0.169212 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010638 tlogG= -0.043550 logG= -0.054188 Density= 0.216347 ETOT(band)= -0.228292 trlgG= -0.284760 logG= -0.054188 TDE= -0.337631 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005325 tlogG= -0.021768 logG= -0.027093 Density= 0.107981 ETOT(band)= -0.114237 trlgG= -0.142376 logG= -0.027093 TDE= -0.168717 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001520 tlogG= -0.007984 logG= -0.009505 Density= 0.070936 ETOT(band)= -0.077141 trlgG= -0.096825 logG= -0.009505 TDE= -0.056548 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004554 tlogG= -0.024191 logG= -0.028745 Density= 0.212379 ETOT(band)= -0.231913 trlgG= -0.291779 logG= -0.028745 TDE= -0.169737 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001338 tlogG= -0.005762 logG= -0.007100 Density= 0.080669 ETOT(band)= -0.086548 trlgG= -0.108926 logG= -0.007100 TDE= -0.042429 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.006906 logG= -0.008597 logGD-logG0= -0.001355 tlogG= -0.005867 logG= -0.007222 Density= 0.040842 ETOT(band)= -0.042289 trlgG= -0.052509 logG= -0.008597 TDE= -0.056055 Density= 0.080675 ETOT(band)= -0.086763 trlgG= -0.109477 logG= -0.007222 TDE= -0.042491 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001363 tlogG= -0.005948 logG= -0.007310 Density= 0.080847 ETOT(band)= -0.086812 trlgG= -0.109650 logG= -0.007310 TDE= -0.042543 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.023968 logG= -0.028816 Density= 0.213468 ETOT(band)= -0.231470 trlgG= -0.290678 logG= -0.028816 TDE= -0.169569 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001315 tlogG= -0.005637 logG= -0.006952 Density= 0.080871 ETOT(band)= -0.086133 trlgG= -0.107944 logG= -0.006952 TDE= -0.042356 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005568 tlogG= -0.024020 logG= -0.029588 Density= 0.215716 ETOT(band)= -0.231634 trlgG= -0.292918 logG= -0.029588 TDE= -0.170266 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001362 tlogG= -0.005992 logG= -0.007354 Density= 0.081061 ETOT(band)= -0.086734 trlgG= -0.109727 logG= -0.007354 TDE= -0.042572 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005597 tlogG= -0.023821 logG= -0.029418 Density= 0.215390 ETOT(band)= -0.231516 trlgG= -0.292328 logG= -0.029418 TDE= -0.170115 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005533 tlogG= -0.024022 logG= -0.029555 Density= 0.216343 ETOT(band)= -0.231178 trlgG= -0.292531 logG= -0.029555 TDE= -0.170288 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005517 tlogG= -0.023577 logG= -0.029093 Density= 0.215294 ETOT(band)= -0.231074 trlgG= -0.291064 logG= -0.029093 TDE= -0.169864 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.023916 logG= -0.029267 Density= 0.215543 ETOT(band)= -0.231522 trlgG= -0.292367 logG= -0.029267 TDE= -0.169801 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.024005 logG= -0.029368 Density= 0.214458 ETOT(band)= -0.231774 trlgG= -0.291975 logG= -0.029368 TDE= -0.169798 logGD-logG0= -0.004975 tlogG= -0.023426 logG= -0.028401 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321816 ETOT(band)= -0.346595 trlgG= -0.435997 logG= -0.028401 TDE= -0.169646 logGD-logG0= -0.005654 tlogG= -0.024134 logG= -0.029788 Density= 0.215745 ETOT(band)= -0.231786 trlgG= -0.293320 logG= -0.029788 TDE= -0.170283 logGD-logG0= -0.001268 tlogG= -0.005195 logG= -0.006464 logGD-logG0= -0.005327 tlogG= -0.024217 logG= -0.029544 Density= 0.062572 ETOT(band)= -0.066876 trlgG= -0.083693 logG= -0.006464 TDE= -0.042053 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322553 ETOT(band)= -0.347803 trlgG= -0.439138 logG= -0.029544 TDE= -0.169978 logGD-logG0= -0.004751 tlogG= -0.023652 logG= -0.028403 Density= 0.212821 ETOT(band)= -0.231565 trlgG= -0.290864 logG= -0.028403 TDE= -0.169465 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.024056 logG= -0.029115 Density= 0.321727 ETOT(band)= -0.347629 trlgG= -0.438549 logG= -0.029115 TDE= -0.169963 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.024208 logG= -0.029512 Density= 0.214830 ETOT(band)= -0.231874 trlgG= -0.292618 logG= -0.029512 TDE= -0.169978 logGD-logG0= -0.011091 tlogG= -0.047835 logG= -0.058925 logGD-logG0= -0.005142 tlogG= -0.023985 logG= -0.029127 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213945 ETOT(band)= -0.231650 trlgG= -0.291098 logG= -0.029127 TDE= -0.169519 Density= 0.324353 ETOT(band)= -0.346658 trlgG= -0.438281 logG= -0.058925 TDE= -0.340419 logGD-logG0= -0.005526 tlogG= -0.023981 logG= -0.029507 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216377 ETOT(band)= -0.231078 trlgG= -0.292308 logG= -0.029507 TDE= -0.170264 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004693 tlogG= -0.023804 logG= -0.028497 Density= 0.213285 ETOT(band)= -0.231188 trlgG= -0.289915 logG= -0.028497 TDE= -0.169547 logGD-logG0= -0.004820 tlogG= -0.024051 logG= -0.028870 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011236 tlogG= -0.048189 logG= -0.059424 Density= 0.212999 ETOT(band)= -0.231847 trlgG= -0.291646 logG= -0.028870 TDE= -0.169617 logGD-logG0= -0.011122 tlogG= -0.047294 logG= -0.058416 Density= 0.323311 ETOT(band)= -0.347622 trlgG= -0.439463 logG= -0.059424 TDE= -0.340367 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324170 ETOT(band)= -0.346272 trlgG= -0.436925 logG= -0.058416 TDE= -0.340035 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011047 tlogG= -0.046543 logG= -0.057591 Density= 0.324074 ETOT(band)= -0.345599 trlgG= -0.434847 logG= -0.057591 TDE= -0.339495 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005701 tlogG= -0.023914 logG= -0.029615 logGD-logG0= -0.005495 tlogG= -0.023018 logG= -0.028514 logGD-logG0= -0.005686 tlogG= -0.023973 logG= -0.029659 Density= 0.215682 ETOT(band)= -0.231539 trlgG= -0.292654 logG= -0.029615 TDE= -0.170111 Density= 0.216278 ETOT(band)= -0.229903 trlgG= -0.288795 logG= -0.028514 TDE= -0.169617 Density= 0.323700 ETOT(band)= -0.347339 trlgG= -0.439272 logG= -0.029659 TDE= -0.170159 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005538 tlogG= -0.023451 logG= -0.028988 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.023879 logG= -0.029000 Density= 0.213726 ETOT(band)= -0.231775 trlgG= -0.291813 logG= -0.029000 TDE= -0.169774 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216229 ETOT(band)= -0.230481 trlgG= -0.290393 logG= -0.028988 TDE= -0.169893 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.023294 logG= -0.028367 Density= 0.213669 ETOT(band)= -0.231243 trlgG= -0.290309 logG= -0.028367 TDE= -0.169478 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004945 tlogG= -0.023425 logG= -0.028370 Density= 0.214315 ETOT(band)= -0.231048 trlgG= -0.290475 logG= -0.028370 TDE= -0.169650 logGD-logG0= -0.010723 tlogG= -0.045813 logG= -0.056536 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001668 tlogG= -0.007614 logG= -0.009281 Density= 0.071554 ETOT(band)= -0.076577 trlgG= -0.095553 logG= -0.009281 TDE= -0.056328 Density= 0.324152 ETOT(band)= -0.344651 trlgG= -0.432262 logG= -0.056536 TDE= -0.338897 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005518 tlogG= -0.024159 logG= -0.029677 Density= 0.323135 ETOT(band)= -0.347812 trlgG= -0.439740 logG= -0.029677 TDE= -0.170093 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005541 tlogG= -0.023790 logG= -0.029330 logGD-logG0= -0.005306 tlogG= -0.023326 logG= -0.028632 Density= 0.216285 ETOT(band)= -0.230871 trlgG= -0.291598 logG= -0.029330 TDE= -0.170125 Density= 0.321883 ETOT(band)= -0.347100 trlgG= -0.436784 logG= -0.028632 TDE= -0.169560 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.022995 logG= -0.028219 Density= 0.214941 ETOT(band)= -0.230116 trlgG= -0.287850 logG= -0.028219 TDE= -0.169185 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009450 tlogG= -0.048239 logG= -0.057689 logGD-logG0= -0.010710 tlogG= -0.048254 logG= -0.058964 Density= 0.425925 ETOT(band)= -0.463491 trlgG= -0.582754 logG= -0.057689 TDE= -0.339331 Density= 0.429494 ETOT(band)= -0.463668 trlgG= -0.584787 logG= -0.058964 TDE= -0.339799 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005405 tlogG= -0.023303 logG= -0.028708 logGD-logG0= -0.010213 tlogG= -0.047935 logG= -0.058148 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428298 ETOT(band)= -0.463470 trlgG= -0.584066 logG= -0.058148 TDE= -0.339734 Density= 0.214993 ETOT(band)= -0.230674 trlgG= -0.289318 logG= -0.028708 TDE= -0.169324 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005668 tlogG= -0.023468 logG= -0.029136 Density= 0.215201 ETOT(band)= -0.231093 trlgG= -0.290793 logG= -0.029136 TDE= -0.169644 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010255 tlogG= -0.046736 logG= -0.056991 Density= 0.322866 ETOT(band)= -0.345623 trlgG= -0.433730 logG= -0.056991 TDE= -0.339124 logGD-logG0= -0.005228 tlogG= -0.021384 logG= -0.026612 Density= 0.162656 ETOT(band)= -0.171390 trlgG= -0.214648 logG= -0.026612 TDE= -0.168642 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011030 tlogG= -0.048211 logG= -0.059241 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430285 ETOT(band)= -0.463557 trlgG= -0.585124 logG= -0.059241 TDE= -0.339988 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010831 tlogG= -0.048347 logG= -0.059178 Density= 0.430181 ETOT(band)= -0.463718 trlgG= -0.585449 logG= -0.059178 TDE= -0.339872 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.047872 logG= -0.058585 Density= 0.428556 ETOT(band)= -0.463469 trlgG= -0.583410 logG= -0.058585 TDE= -0.339374 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047844 logG= -0.057953 logGD-logG0= -0.009957 tlogG= -0.046873 logG= -0.056830 Density= 0.428230 ETOT(band)= -0.461448 trlgG= -0.578095 logG= -0.056830 TDE= -0.338686 Density= 0.427010 ETOT(band)= -0.463589 trlgG= -0.583143 logG= -0.057953 TDE= -0.339244 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010084 tlogG= -0.046718 logG= -0.056802 Density= 0.428389 ETOT(band)= -0.462181 trlgG= -0.580706 logG= -0.056802 TDE= -0.339120 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010870 tlogG= -0.048071 logG= -0.058941 logGD-logG0= -0.010381 tlogG= -0.047970 logG= -0.058351 Density= 0.429406 ETOT(band)= -0.463620 trlgG= -0.584420 logG= -0.058941 TDE= -0.339611 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429342 ETOT(band)= -0.463319 trlgG= -0.584152 logG= -0.058351 TDE= -0.339750 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011191 tlogG= -0.047888 logG= -0.059079 Density= 0.430865 ETOT(band)= -0.463036 trlgG= -0.584491 logG= -0.059079 TDE= -0.340019 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010067 tlogG= -0.047957 logG= -0.058024 Density= 0.427510 ETOT(band)= -0.463174 trlgG= -0.582082 logG= -0.058024 TDE= -0.339033 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011342 tlogG= -0.048057 logG= -0.059399 Density= 0.431397 ETOT(band)= -0.463301 trlgG= -0.585873 logG= -0.059399 TDE= -0.340390 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011396 tlogG= -0.047754 logG= -0.059150 Density= 0.431182 ETOT(band)= -0.463010 trlgG= -0.584887 logG= -0.059150 TDE= -0.340130 logGD-logG0= -0.010560 tlogG= -0.047665 logG= -0.058225 Density= 0.428864 ETOT(band)= -0.462839 trlgG= -0.582507 logG= -0.058225 TDE= -0.339432 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010790 tlogG= -0.047707 logG= -0.058497 Density= 0.430189 ETOT(band)= -0.462579 trlgG= -0.582328 logG= -0.058497 TDE= -0.339456 logGD-logG0= -0.011253 tlogG= -0.047424 logG= -0.058677 Density= 0.430631 ETOT(band)= -0.462598 trlgG= -0.583028 logG= -0.058677 TDE= -0.339641 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024053 logG= -0.029081 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214240 ETOT(band)= -0.231750 trlgG= -0.292247 logG= -0.029081 TDE= -0.169963 logGD-logG0= -0.010497 tlogG= -0.046523 logG= -0.057020 Density= 0.429797 ETOT(band)= -0.460984 trlgG= -0.577904 logG= -0.057020 TDE= -0.338832 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010863 tlogG= -0.047071 logG= -0.057934 Density= 0.430097 ETOT(band)= -0.461925 trlgG= -0.580403 logG= -0.057934 TDE= -0.339026 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005740 tlogG= -0.023707 logG= -0.029447 Density= 0.215468 ETOT(band)= -0.231374 trlgG= -0.291944 logG= -0.029447 TDE= -0.169934 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.022400 logG= -0.027539 Density= 0.323036 ETOT(band)= -0.344607 trlgG= -0.431357 logG= -0.027539 TDE= -0.169006 logGD-logG0= -0.005402 tlogG= -0.022526 logG= -0.027928 Density= 0.216421 ETOT(band)= -0.229101 trlgG= -0.286892 logG= -0.027928 TDE= -0.169297 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010545 tlogG= -0.044789 logG= -0.055334 Density= 0.324396 ETOT(band)= -0.343398 trlgG= -0.429321 logG= -0.055334 TDE= -0.338248 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001800 tlogG= -0.007141 logG= -0.008941 Density= 0.072248 ETOT(band)= -0.075765 trlgG= -0.094286 logG= -0.008941 TDE= -0.056206 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001304 tlogG= -0.005488 logG= -0.006792 Density= 0.081219 ETOT(band)= -0.085546 trlgG= -0.106733 logG= -0.006792 TDE= -0.042262 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005206 tlogG= -0.022557 logG= -0.027763 Density= 0.215163 ETOT(band)= -0.229391 trlgG= -0.286256 logG= -0.027763 TDE= -0.168928 6) Finished k-point 14 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005250 tlogG= -0.022355 logG= -0.027605 Density= 0.214426 ETOT(band)= -0.230124 trlgG= -0.287601 logG= -0.027605 TDE= -0.168916 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001285 tlogG= -0.005329 logG= -0.006615 logGD-logG0= -0.005101 tlogG= -0.022395 logG= -0.027496 Density= 0.215150 ETOT(band)= -0.229689 trlgG= -0.287304 logG= -0.027496 TDE= -0.169009 Density= 0.081557 ETOT(band)= -0.084906 trlgG= -0.105614 logG= -0.006615 TDE= -0.042153 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005391 tlogG= -0.021953 logG= -0.027344 Density= 0.216673 ETOT(band)= -0.228135 trlgG= -0.284793 logG= -0.027344 TDE= -0.168971 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005310 tlogG= -0.021429 logG= -0.026739 Density= 0.217049 ETOT(band)= -0.227059 trlgG= -0.282642 logG= -0.026739 TDE= -0.168649 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005271 tlogG= -0.021287 logG= -0.026557 Density= 0.216416 ETOT(band)= -0.227869 trlgG= -0.283833 logG= -0.026557 TDE= -0.168559 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010420 tlogG= -0.044763 logG= -0.055183 Density= 0.431794 ETOT(band)= -0.457663 trlgG= -0.571257 logG= -0.055183 TDE= -0.337928 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -321.653155341647 eV TrLogG= -404.745475872309 eV Ratio to renormalize= 0.999588265306 rho-rho_expected= 0.009061894355 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.963915065356942 0.938795047402816 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004776 tlogG= -0.024397 logG= -0.029173 Density= 0.106646 ETOT(band)= -0.116628 trlgG= -0.146845 logG= -0.029173 TDE= -0.170445 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023630 logG= -0.028922 Density= 0.108432 ETOT(band)= -0.115747 trlgG= -0.145931 logG= -0.028922 TDE= -0.170666 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.023150 logG= -0.028375 Density= 0.108488 ETOT(band)= -0.115417 trlgG= -0.145067 logG= -0.028375 TDE= -0.170377 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023259 logG= -0.028587 Density= 0.107872 ETOT(band)= -0.115814 trlgG= -0.145380 logG= -0.028587 TDE= -0.170174 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.024069 logG= -0.028987 Density= 0.107223 ETOT(band)= -0.116342 trlgG= -0.146533 logG= -0.028987 TDE= -0.170604 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.024020 logG= -0.028934 Density= 0.106850 ETOT(band)= -0.116444 trlgG= -0.146414 logG= -0.028934 TDE= -0.170355 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005512 tlogG= -0.023588 logG= -0.029101 Density= 0.107937 ETOT(band)= -0.116065 trlgG= -0.146190 logG= -0.029101 TDE= -0.170502 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002577 tlogG= -0.011032 logG= -0.013609 Density= 0.054181 ETOT(band)= -0.057360 trlgG= -0.071578 logG= -0.013609 TDE= -0.084780 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000204 tlogG= -0.000870 logG= -0.001074 Density= 0.004552 ETOT(band)= -0.004715 trlgG= -0.005857 logG= -0.001074 TDE= -0.007035 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001565 tlogG= -0.007927 logG= -0.009492 logGD-logG0= -0.002527 tlogG= -0.012273 logG= -0.014800 logGD-logG0= -0.001481 tlogG= -0.008161 logG= -0.009642 Density= 0.035392 ETOT(band)= -0.038900 trlgG= -0.048986 logG= -0.009642 TDE= -0.056858 Density= 0.053710 ETOT(band)= -0.058297 trlgG= -0.073652 logG= -0.014800 TDE= -0.085430 Density= 0.035576 ETOT(band)= -0.038753 trlgG= -0.048622 logG= -0.009492 TDE= -0.056736 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.024401 logG= -0.028951 Density= 0.106364 ETOT(band)= -0.116637 trlgG= -0.146830 logG= -0.028951 TDE= -0.170513 logGD-logG0= -0.004578 tlogG= -0.024324 logG= -0.028902 Density= 0.106416 ETOT(band)= -0.116595 trlgG= -0.146718 logG= -0.028902 TDE= -0.170476 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002727 tlogG= -0.012192 logG= -0.014920 Density= 0.054104 ETOT(band)= -0.058185 trlgG= -0.073694 logG= -0.014920 TDE= -0.085548 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004862 tlogG= -0.023553 logG= -0.028415 logGD-logG0= -0.005231 tlogG= -0.022790 logG= -0.028021 Density= 0.107888 ETOT(band)= -0.115481 trlgG= -0.144489 logG= -0.028021 TDE= -0.169856 Density= 0.106992 ETOT(band)= -0.116110 trlgG= -0.145518 logG= -0.028415 TDE= -0.170048 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002712 tlogG= -0.012223 logG= -0.014935 logGD-logG0= -0.002441 tlogG= -0.011639 logG= -0.014080 Density= 0.053889 ETOT(band)= -0.058291 trlgG= -0.073700 logG= -0.014935 TDE= -0.085433 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053858 ETOT(band)= -0.057830 trlgG= -0.072531 logG= -0.014080 TDE= -0.085103 logGD-logG0= -0.005327 tlogG= -0.024282 logG= -0.029609 Density= 0.108481 ETOT(band)= -0.116102 trlgG= -0.147017 logG= -0.029609 TDE= -0.171090 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005448 tlogG= -0.024348 logG= -0.029796 Density= 0.107700 ETOT(band)= -0.116565 trlgG= -0.147270 logG= -0.029796 TDE= -0.170769 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.023850 logG= -0.028822 Density= 0.107035 ETOT(band)= -0.116299 trlgG= -0.146005 logG= -0.028822 TDE= -0.170149 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.023337 logG= -0.028288 Density= 0.107127 ETOT(band)= -0.115984 trlgG= -0.145245 logG= -0.028288 TDE= -0.169968 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002431 tlogG= -0.012075 logG= -0.014506 Density= 0.053683 ETOT(band)= -0.058154 trlgG= -0.073291 logG= -0.014506 TDE= -0.085350 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009575 tlogG= -0.048332 logG= -0.057907 Density= 0.213437 ETOT(band)= -0.233000 trlgG= -0.292994 logG= -0.057907 TDE= -0.340706 logGD-logG0= -0.002504 tlogG= -0.010635 logG= -0.013139 Density= 0.054487 ETOT(band)= -0.056856 trlgG= -0.070744 logG= -0.013139 TDE= -0.084568 logGD-logG0= -0.002661 tlogG= -0.012189 logG= -0.014850 Density= 0.054252 ETOT(band)= -0.058072 trlgG= -0.073582 logG= -0.014850 TDE= -0.085579 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005228 tlogG= -0.022874 logG= -0.028102 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108444 ETOT(band)= -0.115278 trlgG= -0.144630 logG= -0.028102 TDE= -0.170191 logGD-logG0= -0.005342 tlogG= -0.023843 logG= -0.029186 Density= 0.108370 ETOT(band)= -0.115922 trlgG= -0.146346 logG= -0.029186 TDE= -0.170787 logGD-logG0= -0.005297 tlogG= -0.023398 logG= -0.028695 Density= 0.108376 ETOT(band)= -0.115650 trlgG= -0.145573 logG= -0.028695 TDE= -0.170508 logGD-logG0= -0.005351 tlogG= -0.024175 logG= -0.029526 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108413 ETOT(band)= -0.116088 trlgG= -0.146884 logG= -0.029526 TDE= -0.171006 logGD-logG0= -0.001775 tlogG= -0.007420 logG= -0.009195 Density= 0.035928 ETOT(band)= -0.038414 trlgG= -0.047926 logG= -0.009195 TDE= -0.056510 logGD-logG0= -0.010177 tlogG= -0.046352 logG= -0.056529 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214873 ETOT(band)= -0.231665 trlgG= -0.290281 logG= -0.056529 TDE= -0.340081 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007131 logG= -0.008821 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.036271 ETOT(band)= -0.037980 trlgG= -0.047278 logG= -0.008821 TDE= -0.056406 logGD-logG0= -0.005499 tlogG= -0.024454 logG= -0.029953 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.024476 logG= -0.029685 Density= 0.107633 ETOT(band)= -0.116542 trlgG= -0.147193 logG= -0.029685 TDE= -0.170771 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107894 ETOT(band)= -0.116587 trlgG= -0.147550 logG= -0.029953 TDE= -0.170988 logGD-logG0= -0.005340 tlogG= -0.024360 logG= -0.029701 Density= 0.108460 ETOT(band)= -0.116166 trlgG= -0.147165 logG= -0.029701 TDE= -0.171136 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005517 tlogG= -0.024543 logG= -0.030060 Density= 0.108058 ETOT(band)= -0.116590 trlgG= -0.147745 logG= -0.030060 TDE= -0.171158 logGD-logG0= -0.005502 tlogG= -0.024064 logG= -0.029566 logGD-logG0= -0.005486 tlogG= -0.024497 logG= -0.029982 Density= 0.107494 ETOT(band)= -0.116503 trlgG= -0.146867 logG= -0.029566 TDE= -0.170494 logGD-logG0= -0.005045 tlogG= -0.024072 logG= -0.029117 Density= 0.108132 ETOT(band)= -0.116507 trlgG= -0.147624 logG= -0.029982 TDE= -0.171151 Density= 0.107629 ETOT(band)= -0.116234 trlgG= -0.146453 logG= -0.029117 TDE= -0.170596 logGD-logG0= -0.005236 tlogG= -0.023996 logG= -0.029232 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107243 ETOT(band)= -0.116422 trlgG= -0.146317 logG= -0.029232 TDE= -0.170154 logGD-logG0= -0.005327 tlogG= -0.024017 logG= -0.029344 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108439 ETOT(band)= -0.115973 trlgG= -0.146594 logG= -0.029344 TDE= -0.170911 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.024247 logG= -0.029385 Density= 0.107017 ETOT(band)= -0.116600 trlgG= -0.146941 logG= -0.029385 TDE= -0.170513 logGD-logG0= -0.010290 tlogG= -0.046415 logG= -0.056705 Density= 0.215656 ETOT(band)= -0.231416 trlgG= -0.290117 logG= -0.056705 TDE= -0.340130 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.024451 logG= -0.029543 Density= 0.107311 ETOT(band)= -0.116593 trlgG= -0.147207 logG= -0.029543 TDE= -0.170766 logGD-logG0= -0.005083 tlogG= -0.023233 logG= -0.028316 Density= 0.107995 ETOT(band)= -0.115617 trlgG= -0.144991 logG= -0.028316 TDE= -0.170116 logGD-logG0= -0.004956 tlogG= -0.023234 logG= -0.028189 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107545 ETOT(band)= -0.115748 trlgG= -0.145107 logG= -0.028189 TDE= -0.170136 logGD-logG0= -0.005472 tlogG= -0.024280 logG= -0.029752 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005527 tlogG= -0.024291 logG= -0.029818 Density= 0.108000 ETOT(band)= -0.116459 trlgG= -0.147340 logG= -0.029818 TDE= -0.170966 logGD-logG0= -0.005100 tlogG= -0.021982 logG= -0.027082 Density= 0.108739 ETOT(band)= -0.114436 trlgG= -0.142913 logG= -0.027082 TDE= -0.169640 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108160 ETOT(band)= -0.116336 trlgG= -0.147242 logG= -0.029752 TDE= -0.171013 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005462 tlogG= -0.024468 logG= -0.029930 Density= 0.108189 ETOT(band)= -0.116443 trlgG= -0.147539 logG= -0.029930 TDE= -0.171147 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005506 tlogG= -0.023991 logG= -0.029497 Density= 0.108050 ETOT(band)= -0.116233 trlgG= -0.146822 logG= -0.029497 TDE= -0.170794 logGD-logG0= -0.010068 tlogG= -0.047924 logG= -0.057991 logGD-logG0= -0.010212 tlogG= -0.049008 logG= -0.059220 Density= 0.214908 ETOT(band)= -0.233155 trlgG= -0.294500 logG= -0.059220 TDE= -0.341627 logGD-logG0= -0.005024 tlogG= -0.021407 logG= -0.026430 Density= 0.108929 ETOT(band)= -0.113856 trlgG= -0.141765 logG= -0.026430 TDE= -0.169238 Density= 0.214275 ETOT(band)= -0.232729 trlgG= -0.292906 logG= -0.057991 TDE= -0.340949 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010939 tlogG= -0.048511 logG= -0.059450 logGD-logG0= -0.009848 tlogG= -0.048213 logG= -0.058061 Density= 0.214806 ETOT(band)= -0.232584 trlgG= -0.293058 logG= -0.058061 TDE= -0.341294 logGD-logG0= -0.009906 tlogG= -0.046525 logG= -0.056432 logGD-logG0= -0.010004 tlogG= -0.048637 logG= -0.058642 Density= 0.215275 ETOT(band)= -0.233087 trlgG= -0.294287 logG= -0.059450 TDE= -0.341366 logGD-logG0= -0.005184 tlogG= -0.022292 logG= -0.027476 Density= 0.108554 ETOT(band)= -0.114794 trlgG= -0.143585 logG= -0.027476 TDE= -0.169827 Density= 0.213797 ETOT(band)= -0.233212 trlgG= -0.293600 logG= -0.058642 TDE= -0.340755 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215510 ETOT(band)= -0.231343 trlgG= -0.290129 logG= -0.056432 TDE= -0.340342 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010286 tlogG= -0.047860 logG= -0.058146 Density= 0.214303 ETOT(band)= -0.232765 trlgG= -0.292691 logG= -0.058146 TDE= -0.340593 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010744 tlogG= -0.048747 logG= -0.059492 Density= 0.215581 ETOT(band)= -0.233010 trlgG= -0.294395 logG= -0.059492 TDE= -0.341583 logGD-logG0= -0.010351 tlogG= -0.048664 logG= -0.059015 Density= 0.214487 ETOT(band)= -0.233174 trlgG= -0.294169 logG= -0.059015 TDE= -0.341293 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010800 tlogG= -0.048553 logG= -0.059353 Density= 0.215176 ETOT(band)= -0.233076 trlgG= -0.294115 logG= -0.059353 TDE= -0.341242 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048415 logG= -0.059015 Density= 0.214476 ETOT(band)= -0.233157 trlgG= -0.293918 logG= -0.059015 TDE= -0.341037 logGD-logG0= -0.010482 tlogG= -0.048795 logG= -0.059277 Density= 0.215047 ETOT(band)= -0.233102 trlgG= -0.294252 logG= -0.059277 TDE= -0.341391 logGD-logG0= -0.005293 tlogG= -0.022199 logG= -0.027491 Density= 0.108036 ETOT(band)= -0.115060 trlgG= -0.143625 logG= -0.027491 TDE= -0.169595 logGD-logG0= -0.010899 tlogG= -0.048846 logG= -0.059745 Density= 0.215579 ETOT(band)= -0.233155 trlgG= -0.294810 logG= -0.059745 TDE= -0.341744 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047181 logG= -0.057783 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215725 ETOT(band)= -0.231980 trlgG= -0.291714 logG= -0.057783 TDE= -0.340682 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011086 tlogG= -0.048923 logG= -0.060009 Density= 0.215925 ETOT(band)= -0.233185 trlgG= -0.295285 logG= -0.060009 TDE= -0.342127 logGD-logG0= -0.010979 tlogG= -0.048782 logG= -0.059761 logGD-logG0= -0.010839 tlogG= -0.048056 logG= -0.058895 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215617 ETOT(band)= -0.233146 trlgG= -0.294837 logG= -0.059761 TDE= -0.341774 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010922 tlogG= -0.048761 logG= -0.059683 Density= 0.216383 ETOT(band)= -0.232758 trlgG= -0.294780 logG= -0.059683 TDE= -0.342175 logGD-logG0= -0.010991 tlogG= -0.048349 logG= -0.059341 Density= 0.216196 ETOT(band)= -0.232631 trlgG= -0.294210 logG= -0.059341 TDE= -0.341854 logGD-logG0= -0.010973 tlogG= -0.048710 logG= -0.059683 Density= 0.214789 ETOT(band)= -0.232960 trlgG= -0.293391 logG= -0.058895 TDE= -0.340784 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216259 ETOT(band)= -0.232823 trlgG= -0.294775 logG= -0.059683 TDE= -0.342108 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011002 tlogG= -0.048193 logG= -0.059195 Density= 0.215969 ETOT(band)= -0.232660 trlgG= -0.293960 logG= -0.059195 TDE= -0.341637 logGD-logG0= -0.010514 tlogG= -0.047920 logG= -0.058435 Density= 0.215657 ETOT(band)= -0.232381 trlgG= -0.292727 logG= -0.058435 TDE= -0.341011 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010204 tlogG= -0.047990 logG= -0.058194 Density= 0.214988 ETOT(band)= -0.232543 trlgG= -0.292830 logG= -0.058194 TDE= -0.341022 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011034 tlogG= -0.047660 logG= -0.058694 Density= 0.215935 ETOT(band)= -0.232381 trlgG= -0.293160 logG= -0.058694 TDE= -0.341322 logGD-logG0= -0.005236 tlogG= -0.022075 logG= -0.027311 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108175 ETOT(band)= -0.114874 trlgG= -0.143321 logG= -0.027311 TDE= -0.169541 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005180 tlogG= -0.022591 logG= -0.027771 Density= 0.108585 ETOT(band)= -0.114967 trlgG= -0.144072 logG= -0.027771 TDE= -0.170034 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004804 tlogG= -0.024324 logG= -0.029128 Density= 0.213322 ETOT(band)= -0.233229 trlgG= -0.293598 logG= -0.029128 TDE= -0.170414 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.023828 logG= -0.029226 Density= 0.216681 ETOT(band)= -0.231743 trlgG= -0.292334 logG= -0.029226 TDE= -0.170745 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.023383 logG= -0.028749 Density= 0.216712 ETOT(band)= -0.231166 trlgG= -0.290722 logG= -0.028749 TDE= -0.170461 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.023753 logG= -0.028613 Density= 0.214674 ETOT(band)= -0.232388 trlgG= -0.292450 logG= -0.028613 TDE= -0.170476 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023626 logG= -0.028613 Density= 0.214002 ETOT(band)= -0.232602 trlgG= -0.292312 logG= -0.028613 TDE= -0.170309 logGD-logG0= -0.010466 tlogG= -0.044157 logG= -0.054622 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216751 ETOT(band)= -0.229555 trlgG= -0.286635 logG= -0.054622 TDE= -0.339272 logGD-logG0= -0.005392 tlogG= -0.023562 logG= -0.028954 Density= 0.215387 ETOT(band)= -0.231978 trlgG= -0.291300 logG= -0.028954 TDE= -0.170169 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005642 tlogG= -0.023742 logG= -0.029384 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215622 ETOT(band)= -0.232388 trlgG= -0.292796 logG= -0.029384 TDE= -0.170511 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005573 logG= -0.006846 Density= 0.081374 ETOT(band)= -0.086017 trlgG= -0.107432 logG= -0.006846 TDE= -0.042465 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001321 tlogG= -0.005959 logG= -0.007280 Density= 0.080833 ETOT(band)= -0.087253 trlgG= -0.110212 logG= -0.007280 TDE= -0.042702 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001508 tlogG= -0.008082 logG= -0.009590 Density= 0.071032 ETOT(band)= -0.077604 trlgG= -0.097487 logG= -0.009590 TDE= -0.056820 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001326 tlogG= -0.006086 logG= -0.007412 Density= 0.081239 ETOT(band)= -0.087208 trlgG= -0.110464 logG= -0.007412 TDE= -0.042786 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004523 tlogG= -0.024482 logG= -0.029005 Density= 0.212664 ETOT(band)= -0.233323 trlgG= -0.293784 logG= -0.029005 TDE= -0.170551 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004719 tlogG= -0.023935 logG= -0.028654 Density= 0.213118 ETOT(band)= -0.232955 trlgG= -0.292842 logG= -0.028654 TDE= -0.170272 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005276 logG= -0.006513 Density= 0.062673 ETOT(band)= -0.067264 trlgG= -0.084251 logG= -0.006513 TDE= -0.042253 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001327 tlogG= -0.006042 logG= -0.007369 Density= 0.081016 ETOT(band)= -0.087294 trlgG= -0.110401 logG= -0.007369 TDE= -0.042756 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.024241 logG= -0.029072 Density= 0.213805 ETOT(band)= -0.232831 trlgG= -0.292607 logG= -0.029072 TDE= -0.170365 logGD-logG0= -0.004661 tlogG= -0.024089 logG= -0.028750 Density= 0.213595 ETOT(band)= -0.232559 trlgG= -0.291871 logG= -0.028750 TDE= -0.170356 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.023256 logG= -0.028461 Density= 0.215311 ETOT(band)= -0.231424 trlgG= -0.289794 logG= -0.028461 TDE= -0.170002 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.024366 logG= -0.029744 logGD-logG0= -0.005229 tlogG= -0.024538 logG= -0.029767 Density= 0.215253 ETOT(band)= -0.233189 trlgG= -0.294620 logG= -0.029767 TDE= -0.170806 Density= 0.216857 ETOT(band)= -0.232335 trlgG= -0.294254 logG= -0.029744 TDE= -0.171123 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001649 tlogG= -0.007013 logG= -0.008662 Density= 0.040927 ETOT(band)= -0.042515 trlgG= -0.052839 logG= -0.008662 TDE= -0.056321 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009409 tlogG= -0.048798 logG= -0.058207 Density= 0.426557 ETOT(band)= -0.466258 trlgG= -0.586675 logG= -0.058207 TDE= -0.340937 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.005724 logG= -0.007009 Density= 0.081017 ETOT(band)= -0.086617 trlgG= -0.108662 logG= -0.007009 TDE= -0.042562 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005412 logG= -0.006666 Density= 0.081722 ETOT(band)= -0.085363 trlgG= -0.106287 logG= -0.006666 TDE= -0.042355 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009915 tlogG= -0.047412 logG= -0.057327 logGD-logG0= -0.001306 tlogG= -0.005852 logG= -0.007158 Density= 0.428915 ETOT(band)= -0.464127 trlgG= -0.582036 logG= -0.057327 TDE= -0.340347 Density= 0.080817 ETOT(band)= -0.087039 trlgG= -0.109659 logG= -0.007158 TDE= -0.042637 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.024173 logG= -0.029568 Density= 0.216754 ETOT(band)= -0.232130 trlgG= -0.293545 logG= -0.029568 TDE= -0.170982 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005556 tlogG= -0.024307 logG= -0.029863 Density= 0.216141 ETOT(band)= -0.232821 trlgG= -0.294653 logG= -0.029863 TDE= -0.170982 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005451 tlogG= -0.024210 logG= -0.029660 Density= 0.215832 ETOT(band)= -0.232811 trlgG= -0.294289 logG= -0.029660 TDE= -0.170978 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001757 tlogG= -0.007255 logG= -0.009012 Density= 0.072385 ETOT(band)= -0.076180 trlgG= -0.094898 logG= -0.009012 TDE= -0.056479 logGD-logG0= -0.010346 tlogG= -0.047165 logG= -0.057510 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430555 ETOT(band)= -0.463606 trlgG= -0.581756 logG= -0.057510 TDE= -0.340471 logGD-logG0= -0.005601 tlogG= -0.024094 logG= -0.029695 Density= 0.215913 ETOT(band)= -0.232661 trlgG= -0.293946 logG= -0.029695 TDE= -0.170804 logGD-logG0= -0.005420 tlogG= -0.024411 logG= -0.029830 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216178 ETOT(band)= -0.232920 trlgG= -0.294926 logG= -0.029830 TDE= -0.171130 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007706 logG= -0.009360 Density= 0.071669 ETOT(band)= -0.077017 trlgG= -0.096195 logG= -0.009360 TDE= -0.056596 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010404 tlogG= -0.045388 logG= -0.055792 Density= 0.325009 ETOT(band)= -0.345297 trlgG= -0.432171 logG= -0.055792 TDE= -0.339907 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005463 tlogG= -0.023872 logG= -0.029335 Density= 0.215714 ETOT(band)= -0.232372 trlgG= -0.293023 logG= -0.029335 TDE= -0.170722 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.048357 logG= -0.058465 Density= 0.427713 ETOT(band)= -0.466311 trlgG= -0.587129 logG= -0.058465 TDE= -0.340921 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.024409 logG= -0.029794 Density= 0.216824 ETOT(band)= -0.232437 trlgG= -0.294484 logG= -0.029794 TDE= -0.171149 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024229 logG= -0.029516 Density= 0.215992 ETOT(band)= -0.232813 trlgG= -0.294370 logG= -0.029516 TDE= -0.170661 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004893 tlogG= -0.023750 logG= -0.028644 logGD-logG0= -0.005102 tlogG= -0.021719 logG= -0.026821 Density= 0.322375 ETOT(band)= -0.348591 trlgG= -0.438941 logG= -0.028644 TDE= -0.170470 Density= 0.162990 ETOT(band)= -0.172322 trlgG= -0.216046 logG= -0.026821 TDE= -0.169453 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004980 tlogG= -0.024388 logG= -0.029368 Density= 0.322322 ETOT(band)= -0.349627 trlgG= -0.441507 logG= -0.029368 TDE= -0.170793 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010062 tlogG= -0.048475 logG= -0.058537 Density= 0.428228 ETOT(band)= -0.465873 trlgG= -0.585999 logG= -0.058537 TDE= -0.340632 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.024338 logG= -0.029623 Density= 0.214863 ETOT(band)= -0.233098 trlgG= -0.293988 logG= -0.029623 TDE= -0.170630 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005509 tlogG= -0.024531 logG= -0.030040 Density= 0.216211 ETOT(band)= -0.233075 trlgG= -0.295340 logG= -0.030040 TDE= -0.171158 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010796 tlogG= -0.048607 logG= -0.059403 logGD-logG0= -0.010836 tlogG= -0.048058 logG= -0.058894 Density= 0.324858 ETOT(band)= -0.348169 trlgG= -0.439859 logG= -0.058894 TDE= -0.341748 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.325063 ETOT(band)= -0.348550 trlgG= -0.441216 logG= -0.059403 TDE= -0.342139 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024544 logG= -0.029799 Density= 0.323204 ETOT(band)= -0.349766 trlgG= -0.442153 logG= -0.029799 TDE= -0.170802 logGD-logG0= -0.010607 tlogG= -0.046399 logG= -0.057006 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324782 ETOT(band)= -0.346556 trlgG= -0.435159 logG= -0.057006 TDE= -0.340578 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.023629 logG= -0.028872 Density= 0.322479 ETOT(band)= -0.349081 trlgG= -0.439755 logG= -0.028872 TDE= -0.170411 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.024236 logG= -0.029383 logGD-logG0= -0.005269 tlogG= -0.022295 logG= -0.027564 Density= 0.217091 ETOT(band)= -0.229387 trlgG= -0.286653 logG= -0.027564 TDE= -0.169793 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214318 ETOT(band)= -0.232991 trlgG= -0.293070 logG= -0.029383 TDE= -0.170355 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010826 tlogG= -0.047240 logG= -0.058067 Density= 0.324732 ETOT(band)= -0.347502 trlgG= -0.437770 logG= -0.058067 TDE= -0.341195 logGD-logG0= -0.005037 tlogG= -0.024218 logG= -0.029255 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214087 ETOT(band)= -0.233130 trlgG= -0.293824 logG= -0.029255 TDE= -0.170612 logGD-logG0= -0.005462 tlogG= -0.024468 logG= -0.029930 Density= 0.323815 ETOT(band)= -0.349762 trlgG= -0.442796 logG= -0.029930 TDE= -0.170970 logGD-logG0= -0.011085 tlogG= -0.048844 logG= -0.059929 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323996 ETOT(band)= -0.349563 trlgG= -0.442502 logG= -0.059929 TDE= -0.342118 logGD-logG0= -0.004946 tlogG= -0.024389 logG= -0.029335 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214624 ETOT(band)= -0.233091 trlgG= -0.294235 logG= -0.029335 TDE= -0.170796 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005541 tlogG= -0.024366 logG= -0.029908 Density= 0.324397 ETOT(band)= -0.349259 trlgG= -0.442268 logG= -0.029908 TDE= -0.171031 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010105 tlogG= -0.047371 logG= -0.057476 Density= 0.323455 ETOT(band)= -0.347575 trlgG= -0.436602 logG= -0.057476 TDE= -0.340756 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.021767 logG= -0.026950 logGD-logG0= -0.010563 tlogG= -0.048912 logG= -0.059475 Density= 0.217474 ETOT(band)= -0.228295 trlgG= -0.284465 logG= -0.026950 TDE= -0.169464 Density= 0.430334 ETOT(band)= -0.466300 trlgG= -0.588792 logG= -0.059475 TDE= -0.341452 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009918 tlogG= -0.047372 logG= -0.057290 Density= 0.429105 ETOT(band)= -0.464860 trlgG= -0.584658 logG= -0.057290 TDE= -0.340771 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010912 tlogG= -0.048838 logG= -0.059750 Density= 0.431162 ETOT(band)= -0.466168 trlgG= -0.589208 logG= -0.059750 TDE= -0.341743 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010731 tlogG= -0.048721 logG= -0.059452 Density= 0.430243 ETOT(band)= -0.466255 trlgG= -0.588407 logG= -0.059452 TDE= -0.341266 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.048426 logG= -0.059097 Density= 0.429345 ETOT(band)= -0.466129 trlgG= -0.587354 logG= -0.059097 TDE= -0.341038 logGD-logG0= -0.005170 tlogG= -0.022826 logG= -0.027996 Density= 0.215528 ETOT(band)= -0.230693 trlgG= -0.288176 logG= -0.027996 TDE= -0.169748 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010052 tlogG= -0.048604 logG= -0.058656 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429061 ETOT(band)= -0.466151 trlgG= -0.588041 logG= -0.058656 TDE= -0.341398 logGD-logG0= -0.011082 tlogG= -0.048498 logG= -0.059580 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431757 ETOT(band)= -0.465620 trlgG= -0.588521 logG= -0.059580 TDE= -0.341764 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011137 tlogG= -0.048511 logG= -0.059648 logGD-logG0= -0.010234 tlogG= -0.048620 logG= -0.058854 logGD-logG0= -0.011063 tlogG= -0.048837 logG= -0.059900 Density= 0.432321 ETOT(band)= -0.465873 trlgG= -0.589895 logG= -0.059900 TDE= -0.342137 Density= 0.432091 ETOT(band)= -0.465581 trlgG= -0.588895 logG= -0.059648 TDE= -0.341872 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010700 tlogG= -0.048987 logG= -0.059688 Density= 0.431056 ETOT(band)= -0.466334 trlgG= -0.589531 logG= -0.059688 TDE= -0.341617 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430158 ETOT(band)= -0.465963 trlgG= -0.588054 logG= -0.058854 TDE= -0.341395 logGD-logG0= -0.010733 tlogG= -0.047697 logG= -0.058430 Density= 0.430910 ETOT(band)= -0.464530 trlgG= -0.584378 logG= -0.058430 TDE= -0.340719 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010408 tlogG= -0.048324 logG= -0.058732 Density= 0.429638 ETOT(band)= -0.465495 trlgG= -0.586429 logG= -0.058732 TDE= -0.341087 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010661 tlogG= -0.048337 logG= -0.058998 Density= 0.431029 ETOT(band)= -0.465186 trlgG= -0.586309 logG= -0.058998 TDE= -0.341161 logGD-logG0= -0.005143 tlogG= -0.021623 logG= -0.026766 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216820 ETOT(band)= -0.229128 trlgG= -0.285695 logG= -0.026766 TDE= -0.169371 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011138 tlogG= -0.048035 logG= -0.059174 Density= 0.431500 ETOT(band)= -0.465183 trlgG= -0.587042 logG= -0.059174 TDE= -0.341381 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.022849 logG= -0.028159 Density= 0.216843 ETOT(band)= -0.230361 trlgG= -0.288789 logG= -0.028159 TDE= -0.170130 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.022709 logG= -0.027764 Density= 0.323605 ETOT(band)= -0.346556 trlgG= -0.434221 logG= -0.027764 TDE= -0.169819 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005012 tlogG= -0.022708 logG= -0.027721 Density= 0.215518 ETOT(band)= -0.230995 trlgG= -0.289222 logG= -0.027721 TDE= -0.169825 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005161 tlogG= -0.022673 logG= -0.027834 Density= 0.214768 ETOT(band)= -0.231452 trlgG= -0.289548 logG= -0.027834 TDE= -0.169735 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010249 tlogG= -0.045388 logG= -0.055637 Density= 0.432576 ETOT(band)= -0.460219 trlgG= -0.575028 logG= -0.055637 TDE= -0.339557 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -323.474340139290 eV TrLogG= -407.765347883734 eV Ratio to renormalize= 0.997705323693 rho-rho_expected= 0.050598987045 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 9 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 48) Finished k-point number 98 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 77) Finished k-point number 156 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.963949618927984 0.938840780133252 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004406 tlogG= -0.024055 logG= -0.028460 Density= 0.106190 ETOT(band)= -0.116733 trlgG= -0.146435 logG= -0.028460 TDE= -0.170523 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004713 tlogG= -0.023211 logG= -0.027923 logGD-logG0= -0.004433 tlogG= -0.023978 logG= -0.028411 Density= 0.106242 ETOT(band)= -0.116691 trlgG= -0.146324 logG= -0.028411 TDE= -0.170486 logGD-logG0= -0.004800 tlogG= -0.022996 logG= -0.027796 Density= 0.106935 ETOT(band)= -0.116080 trlgG= -0.144859 logG= -0.027796 TDE= -0.169980 Density= 0.106802 ETOT(band)= -0.116207 trlgG= -0.145131 logG= -0.027923 TDE= -0.170058 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.022411 logG= -0.027526 Density= 0.107682 ETOT(band)= -0.115574 trlgG= -0.144108 logG= -0.027526 TDE= -0.169869 logGD-logG0= -0.004819 tlogG= -0.023511 logG= -0.028330 Density= 0.106836 ETOT(band)= -0.116400 trlgG= -0.145622 logG= -0.028330 TDE= -0.170159 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.020991 logG= -0.025930 Density= 0.108731 ETOT(band)= -0.113931 trlgG= -0.141375 logG= -0.025930 TDE= -0.169251 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005177 tlogG= -0.021819 logG= -0.026996 Density= 0.107834 ETOT(band)= -0.115149 trlgG= -0.143242 logG= -0.026996 TDE= -0.169608 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005076 tlogG= -0.023663 logG= -0.028739 logGD-logG0= -0.005383 tlogG= -0.023689 logG= -0.029072 Density= 0.107277 ETOT(band)= -0.116606 trlgG= -0.146492 logG= -0.029072 TDE= -0.170506 Density= 0.107033 ETOT(band)= -0.116525 trlgG= -0.145940 logG= -0.028739 TDE= -0.170166 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.022883 logG= -0.028091 Density= 0.107660 ETOT(band)= -0.115909 trlgG= -0.145002 logG= -0.028091 TDE= -0.170187 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023210 logG= -0.028424 Density= 0.108219 ETOT(band)= -0.115834 trlgG= -0.145551 logG= -0.028424 TDE= -0.170678 logGD-logG0= -0.004979 tlogG= -0.023913 logG= -0.028892 Density= 0.106814 ETOT(band)= -0.116702 trlgG= -0.146560 logG= -0.028892 TDE= -0.170525 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024067 logG= -0.029049 Density= 0.107105 ETOT(band)= -0.116692 trlgG= -0.146826 logG= -0.029049 TDE= -0.170778 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.022851 logG= -0.027695 Density= 0.107350 ETOT(band)= -0.115839 trlgG= -0.144721 logG= -0.027695 TDE= -0.170148 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002471 tlogG= -0.012081 logG= -0.014552 Density= 0.053607 ETOT(band)= -0.058345 trlgG= -0.073461 logG= -0.014552 TDE= -0.085436 logGD-logG0= -0.002653 tlogG= -0.012034 logG= -0.014687 Density= 0.053780 ETOT(band)= -0.058340 trlgG= -0.073512 logG= -0.014687 TDE= -0.085439 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000201 tlogG= -0.000853 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004718 trlgG= -0.005840 logG= -0.001053 TDE= -0.007035 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004379 tlogG= -0.024135 logG= -0.028514 Density= 0.212319 ETOT(band)= -0.233514 trlgG= -0.292993 logG= -0.028514 TDE= -0.170562 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001433 tlogG= -0.008045 logG= -0.009478 logGD-logG0= -0.001516 tlogG= -0.007812 logG= -0.009328 Density= 0.035516 ETOT(band)= -0.038784 trlgG= -0.048492 logG= -0.009328 TDE= -0.056739 Density= 0.035338 ETOT(band)= -0.038931 trlgG= -0.048852 logG= -0.009478 TDE= -0.056861 logGD-logG0= -0.002376 tlogG= -0.011883 logG= -0.014258 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.011448 logG= -0.013832 Density= 0.053760 ETOT(band)= -0.057874 trlgG= -0.072337 logG= -0.013832 TDE= -0.085108 Density= 0.053586 ETOT(band)= -0.058200 trlgG= -0.073097 logG= -0.014258 TDE= -0.085356 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004515 tlogG= -0.023744 logG= -0.028259 logGD-logG0= -0.004680 tlogG= -0.023900 logG= -0.028580 Density= 0.213411 ETOT(band)= -0.233034 trlgG= -0.291839 logG= -0.028580 TDE= -0.170376 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213224 ETOT(band)= -0.232752 trlgG= -0.291093 logG= -0.028259 TDE= -0.170366 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002690 tlogG= -0.011981 logG= -0.014671 Density= 0.053994 ETOT(band)= -0.058230 trlgG= -0.073506 logG= -0.014671 TDE= -0.085554 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023422 logG= -0.028688 Density= 0.108155 ETOT(band)= -0.116010 trlgG= -0.145967 logG= -0.028688 TDE= -0.170800 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023940 logG= -0.029203 Density= 0.108245 ETOT(band)= -0.116251 trlgG= -0.146786 logG= -0.029203 TDE= -0.171148 logGD-logG0= -0.005376 tlogG= -0.024080 logG= -0.029456 logGD-logG0= -0.005050 tlogG= -0.022917 logG= -0.027968 logGD-logG0= -0.002622 tlogG= -0.011979 logG= -0.014601 Density= 0.054145 ETOT(band)= -0.058114 trlgG= -0.073392 logG= -0.014601 TDE= -0.085585 Density= 0.214902 ETOT(band)= -0.231614 trlgG= -0.289032 logG= -0.027968 TDE= -0.170014 Density= 0.107675 ETOT(band)= -0.116684 trlgG= -0.147174 logG= -0.029456 TDE= -0.171001 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023754 logG= -0.029028 Density= 0.108197 ETOT(band)= -0.116175 trlgG= -0.146506 logG= -0.029028 TDE= -0.171019 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.022977 logG= -0.028197 Density= 0.108164 ETOT(band)= -0.115737 trlgG= -0.145193 logG= -0.028197 TDE= -0.170520 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004626 tlogG= -0.024055 logG= -0.028681 Density= 0.106455 ETOT(band)= -0.116729 trlgG= -0.146458 logG= -0.028681 TDE= -0.170456 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.022455 logG= -0.027604 Density= 0.108235 ETOT(band)= -0.115364 trlgG= -0.144248 logG= -0.027604 TDE= -0.170204 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005407 tlogG= -0.023914 logG= -0.029321 Density= 0.107781 ETOT(band)= -0.116554 trlgG= -0.146964 logG= -0.029321 TDE= -0.170978 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.023591 logG= -0.028162 logGD-logG0= -0.005412 tlogG= -0.024072 logG= -0.029484 Density= 0.212761 ETOT(band)= -0.233146 trlgG= -0.292057 logG= -0.028162 TDE= -0.170282 Density= 0.107913 ETOT(band)= -0.116599 trlgG= -0.147247 logG= -0.029484 TDE= -0.171163 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.024119 logG= -0.029562 Density= 0.107838 ETOT(band)= -0.116684 trlgG= -0.147368 logG= -0.029562 TDE= -0.171170 logGD-logG0= -0.004931 tlogG= -0.023691 logG= -0.028621 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.024096 logG= -0.029189 Density= 0.107419 ETOT(band)= -0.116640 trlgG= -0.146814 logG= -0.029189 TDE= -0.170782 logGD-logG0= -0.005249 tlogG= -0.023862 logG= -0.029111 Density= 0.108265 ETOT(band)= -0.116188 trlgG= -0.146638 logG= -0.029111 TDE= -0.171102 Density= 0.107422 ETOT(band)= -0.116329 trlgG= -0.146070 logG= -0.028621 TDE= -0.170607 logGD-logG0= -0.005249 tlogG= -0.023597 logG= -0.028846 logGD-logG0= -0.004762 tlogG= -0.023680 logG= -0.028442 Density= 0.108223 ETOT(band)= -0.116060 trlgG= -0.146215 logG= -0.028846 TDE= -0.170923 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106661 ETOT(band)= -0.116542 trlgG= -0.146027 logG= -0.028442 TDE= -0.170366 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022854 logG= -0.027820 Density= 0.107789 ETOT(band)= -0.115707 trlgG= -0.144608 logG= -0.027820 TDE= -0.170128 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023970 logG= -0.029300 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107482 ETOT(band)= -0.116665 trlgG= -0.146895 logG= -0.029300 TDE= -0.170782 logGD-logG0= -0.005099 tlogG= -0.022175 logG= -0.027273 logGD-logG0= -0.005146 tlogG= -0.022731 logG= -0.027877 Density= 0.108277 ETOT(band)= -0.115503 trlgG= -0.144685 logG= -0.027877 TDE= -0.170389 Density= 0.108383 ETOT(band)= -0.115048 trlgG= -0.143686 logG= -0.027273 TDE= -0.170046 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.023684 logG= -0.028493 Density= 0.107029 ETOT(band)= -0.116436 trlgG= -0.146145 logG= -0.028493 TDE= -0.170616 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009985 tlogG= -0.048243 logG= -0.058229 Density= 0.214491 ETOT(band)= -0.233351 trlgG= -0.293738 logG= -0.058229 TDE= -0.341650 logGD-logG0= -0.005388 tlogG= -0.024044 logG= -0.029432 logGD-logG0= -0.005398 tlogG= -0.023857 logG= -0.029255 Density= 0.107941 ETOT(band)= -0.116428 trlgG= -0.146866 logG= -0.029255 TDE= -0.171025 Density= 0.107970 ETOT(band)= -0.116534 trlgG= -0.147162 logG= -0.029432 TDE= -0.171159 logGD-logG0= -0.005396 tlogG= -0.023209 logG= -0.028605 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107721 ETOT(band)= -0.116161 trlgG= -0.145814 logG= -0.028605 TDE= -0.170515 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009275 tlogG= -0.047648 logG= -0.056924 Density= 0.213060 ETOT(band)= -0.233198 trlgG= -0.292218 logG= -0.056924 TDE= -0.340727 logGD-logG0= -0.005433 tlogG= -0.023567 logG= -0.029000 Density= 0.107831 ETOT(band)= -0.116328 trlgG= -0.146447 logG= -0.029000 TDE= -0.170807 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009851 tlogG= -0.047154 logG= -0.057004 Density= 0.213881 ETOT(band)= -0.232924 trlgG= -0.292137 logG= -0.057004 TDE= -0.340972 logGD-logG0= -0.005050 tlogG= -0.022291 logG= -0.027340 Density= 0.214379 ETOT(band)= -0.231640 trlgG= -0.288778 logG= -0.027340 TDE= -0.169747 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009956 tlogG= -0.045587 logG= -0.055543 logGD-logG0= -0.009679 tlogG= -0.045762 logG= -0.055441 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214476 ETOT(band)= -0.231855 trlgG= -0.289514 logG= -0.055543 TDE= -0.340104 Density= 0.215114 ETOT(band)= -0.231523 trlgG= -0.289357 logG= -0.055441 TDE= -0.340366 logGD-logG0= -0.009693 tlogG= -0.047963 logG= -0.057656 Density= 0.213395 ETOT(band)= -0.233419 trlgG= -0.292836 logG= -0.057656 TDE= -0.340778 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.047754 logG= -0.058459 logGD-logG0= -0.009971 tlogG= -0.047189 logG= -0.057160 Density= 0.213893 ETOT(band)= -0.232969 trlgG= -0.291931 logG= -0.057160 TDE= -0.340616 logGD-logG0= -0.009625 tlogG= -0.047446 logG= -0.057071 Density= 0.214410 ETOT(band)= -0.232771 trlgG= -0.292287 logG= -0.057071 TDE= -0.341317 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214839 ETOT(band)= -0.233288 trlgG= -0.293537 logG= -0.058459 TDE= -0.341391 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010660 tlogG= -0.048092 logG= -0.058752 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215142 ETOT(band)= -0.233351 trlgG= -0.294058 logG= -0.058752 TDE= -0.341769 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010504 tlogG= -0.047995 logG= -0.058498 logGD-logG0= -0.010130 tlogG= -0.047896 logG= -0.058026 Density= 0.215146 ETOT(band)= -0.233205 trlgG= -0.293642 logG= -0.058498 TDE= -0.341609 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214071 ETOT(band)= -0.233377 trlgG= -0.293409 logG= -0.058026 TDE= -0.341316 logGD-logG0= -0.010252 tlogG= -0.048033 logG= -0.058285 Density= 0.214619 ETOT(band)= -0.233303 trlgG= -0.293495 logG= -0.058285 TDE= -0.341414 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001663 tlogG= -0.006992 logG= -0.008655 logGD-logG0= -0.010567 tlogG= -0.047795 logG= -0.058362 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010845 tlogG= -0.047502 logG= -0.058347 Density= 0.214741 ETOT(band)= -0.233278 trlgG= -0.293365 logG= -0.058362 TDE= -0.341267 Density= 0.215757 ETOT(band)= -0.232819 trlgG= -0.293458 logG= -0.058347 TDE= -0.341879 logGD-logG0= -0.010737 tlogG= -0.048030 logG= -0.058767 Density= 0.215178 ETOT(band)= -0.233343 trlgG= -0.294086 logG= -0.058767 TDE= -0.341799 logGD-logG0= -0.001724 tlogG= -0.007306 logG= -0.009030 Density= 0.036204 ETOT(band)= -0.038006 trlgG= -0.047149 logG= -0.008655 TDE= -0.056410 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.047351 logG= -0.057907 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214360 ETOT(band)= -0.233166 trlgG= -0.292638 logG= -0.057907 TDE= -0.340808 Density= 0.035861 ETOT(band)= -0.038445 trlgG= -0.047798 logG= -0.009030 TDE= -0.056514 logGD-logG0= -0.010773 tlogG= -0.047914 logG= -0.058688 logGD-logG0= -0.010363 tlogG= -0.046428 logG= -0.056791 Density= 0.215300 ETOT(band)= -0.232171 trlgG= -0.290958 logG= -0.056791 TDE= -0.340708 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010058 tlogG= -0.045656 logG= -0.055714 Density= 0.215945 ETOT(band)= -0.232941 trlgG= -0.294027 logG= -0.058688 TDE= -0.342200 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215244 ETOT(band)= -0.231603 trlgG= -0.289354 logG= -0.055714 TDE= -0.340153 logGD-logG0= -0.010338 tlogG= -0.047689 logG= -0.058027 logGD-logG0= -0.002461 tlogG= -0.010427 logG= -0.012888 Density= 0.054388 ETOT(band)= -0.056893 trlgG= -0.070549 logG= -0.012888 TDE= -0.084574 Density= 0.214054 ETOT(band)= -0.233363 trlgG= -0.293162 logG= -0.058027 TDE= -0.341059 logGD-logG0= -0.010847 tlogG= -0.048167 logG= -0.059014 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215485 ETOT(band)= -0.233377 trlgG= -0.294532 logG= -0.059014 TDE= -0.342151 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010796 tlogG= -0.046905 logG= -0.057701 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215500 ETOT(band)= -0.232572 trlgG= -0.292408 logG= -0.057701 TDE= -0.341347 logGD-logG0= -0.010826 tlogG= -0.047862 logG= -0.058688 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215821 ETOT(band)= -0.233009 trlgG= -0.294022 logG= -0.058688 TDE= -0.342133 logGD-logG0= -0.010754 tlogG= -0.047448 logG= -0.058202 Density= 0.215532 ETOT(band)= -0.232851 trlgG= -0.293208 logG= -0.058202 TDE= -0.341662 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009978 tlogG= -0.047227 logG= -0.057205 Density= 0.214574 ETOT(band)= -0.232738 trlgG= -0.292068 logG= -0.057205 TDE= -0.341045 logGD-logG0= -0.010276 tlogG= -0.047167 logG= -0.057443 Density= 0.215230 ETOT(band)= -0.232572 trlgG= -0.291972 logG= -0.057443 TDE= -0.341036 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002518 tlogG= -0.010842 logG= -0.013360 Density= 0.054081 ETOT(band)= -0.057402 trlgG= -0.071385 logG= -0.013360 TDE= -0.084787 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005102 tlogG= -0.021350 logG= -0.026452 Density= 0.217075 ETOT(band)= -0.228452 trlgG= -0.283690 logG= -0.026452 TDE= -0.169477 logGD-logG0= -0.005017 tlogG= -0.021566 logG= -0.026583 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108541 ETOT(band)= -0.114513 trlgG= -0.142525 logG= -0.026583 TDE= -0.169653 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005103 tlogG= -0.021875 logG= -0.026978 Density= 0.108354 ETOT(band)= -0.114875 trlgG= -0.143198 logG= -0.026978 TDE= -0.169840 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005017 tlogG= -0.022486 logG= -0.027503 Density= 0.215129 ETOT(band)= -0.230876 trlgG= -0.287410 logG= -0.027503 TDE= -0.169760 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005119 tlogG= -0.021696 logG= -0.026815 Density= 0.107974 ETOT(band)= -0.114961 trlgG= -0.142937 logG= -0.026815 TDE= -0.169553 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010231 tlogG= -0.043397 logG= -0.053628 Density= 0.216351 ETOT(band)= -0.229722 trlgG= -0.285864 logG= -0.053628 TDE= -0.339297 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005173 tlogG= -0.023956 logG= -0.029129 Density= 0.214434 ETOT(band)= -0.233303 trlgG= -0.293236 logG= -0.029129 TDE= -0.170641 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023902 logG= -0.028890 Density= 0.213900 ETOT(band)= -0.233199 trlgG= -0.292314 logG= -0.028890 TDE= -0.170367 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023406 logG= -0.028728 Density= 0.216251 ETOT(band)= -0.231920 trlgG= -0.291577 logG= -0.028728 TDE= -0.170758 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.023832 logG= -0.028762 Density= 0.213687 ETOT(band)= -0.233331 trlgG= -0.293058 logG= -0.028762 TDE= -0.170623 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.023213 logG= -0.028460 Density= 0.214964 ETOT(band)= -0.232174 trlgG= -0.290545 logG= -0.028460 TDE= -0.170182 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004835 tlogG= -0.024005 logG= -0.028840 Density= 0.214219 ETOT(band)= -0.233285 trlgG= -0.293468 logG= -0.028840 TDE= -0.170808 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001302 tlogG= -0.005854 logG= -0.007156 logGD-logG0= -0.001307 tlogG= -0.005937 logG= -0.007244 Density= 0.080676 ETOT(band)= -0.087323 trlgG= -0.109926 logG= -0.007156 TDE= -0.042705 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080854 ETOT(band)= -0.087365 trlgG= -0.110118 logG= -0.007244 TDE= -0.042759 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005981 logG= -0.007288 Density= 0.081076 ETOT(band)= -0.087275 trlgG= -0.110181 logG= -0.007288 TDE= -0.042789 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.022444 logG= -0.027662 Density= 0.216432 ETOT(band)= -0.230531 trlgG= -0.288023 logG= -0.027662 TDE= -0.170143 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005619 logG= -0.006884 logGD-logG0= -0.001286 tlogG= -0.005747 logG= -0.007033 Density= 0.080667 ETOT(band)= -0.087106 trlgG= -0.109370 logG= -0.007033 TDE= -0.042641 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080868 ETOT(band)= -0.086682 trlgG= -0.108372 logG= -0.006884 TDE= -0.042565 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023988 logG= -0.029333 Density= 0.215741 ETOT(band)= -0.233106 trlgG= -0.294173 logG= -0.029333 TDE= -0.171143 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001460 tlogG= -0.007966 logG= -0.009426 Density= 0.070915 ETOT(band)= -0.077667 trlgG= -0.097224 logG= -0.009426 TDE= -0.056823 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.022328 logG= -0.027225 Density= 0.215127 ETOT(band)= -0.231173 trlgG= -0.288449 logG= -0.027225 TDE= -0.169836 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005308 tlogG= -0.023988 logG= -0.029296 Density= 0.216391 ETOT(band)= -0.232611 trlgG= -0.293727 logG= -0.029296 TDE= -0.171162 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023787 logG= -0.029163 logGD-logG0= -0.005342 tlogG= -0.023496 logG= -0.028838 Density= 0.215291 ETOT(band)= -0.232560 trlgG= -0.292264 logG= -0.028838 TDE= -0.170734 Density= 0.215400 ETOT(band)= -0.233001 trlgG= -0.293533 logG= -0.029163 TDE= -0.170990 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.024005 logG= -0.028873 Density= 0.321703 ETOT(band)= -0.349919 trlgG= -0.440361 logG= -0.028873 TDE= -0.170805 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023852 logG= -0.029019 Density= 0.215558 ETOT(band)= -0.233001 trlgG= -0.293616 logG= -0.029019 TDE= -0.170674 logGD-logG0= -0.005436 tlogG= -0.024106 logG= -0.029542 Density= 0.215772 ETOT(band)= -0.233262 trlgG= -0.294586 logG= -0.029542 TDE= -0.171171 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004781 tlogG= -0.023367 logG= -0.028148 Density= 0.321784 ETOT(band)= -0.348869 trlgG= -0.437782 logG= -0.028148 TDE= -0.170481 logGD-logG0= -0.004654 tlogG= -0.023983 logG= -0.028636 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212942 ETOT(band)= -0.233430 trlgG= -0.292823 logG= -0.028636 TDE= -0.170424 logGD-logG0= -0.005301 tlogG= -0.023945 logG= -0.029246 Density= 0.216425 ETOT(band)= -0.232508 trlgG= -0.293497 logG= -0.029246 TDE= -0.171135 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.024164 logG= -0.029303 Density= 0.322552 ETOT(band)= -0.350061 trlgG= -0.441023 logG= -0.029303 TDE= -0.170814 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010884 tlogG= -0.048050 logG= -0.058934 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323337 ETOT(band)= -0.349849 trlgG= -0.441372 logG= -0.058934 TDE= -0.342143 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005172 logG= -0.006387 Density= 0.062570 ETOT(band)= -0.067312 trlgG= -0.084020 logG= -0.006387 TDE= -0.042256 logGD-logG0= -0.010686 tlogG= -0.047214 logG= -0.057900 Density= 0.324209 ETOT(band)= -0.348439 trlgG= -0.438726 logG= -0.057900 TDE= -0.341773 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010644 tlogG= -0.047763 logG= -0.058407 Density= 0.324413 ETOT(band)= -0.348815 trlgG= -0.440082 logG= -0.058407 TDE= -0.342164 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005319 tlogG= -0.023751 logG= -0.029071 Density= 0.216321 ETOT(band)= -0.232305 trlgG= -0.292788 logG= -0.029071 TDE= -0.170995 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024093 logG= -0.029433 logGD-logG0= -0.005114 tlogG= -0.024158 logG= -0.029271 logGD-logG0= -0.004879 tlogG= -0.023241 logG= -0.028120 Density= 0.214822 ETOT(band)= -0.233387 trlgG= -0.293866 logG= -0.029271 TDE= -0.170817 Density= 0.323156 ETOT(band)= -0.350050 trlgG= -0.441667 logG= -0.029433 TDE= -0.170982 Density= 0.213622 ETOT(band)= -0.232794 trlgG= -0.291538 logG= -0.028120 TDE= -0.170321 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.022962 logG= -0.028252 Density= 0.216288 ETOT(band)= -0.231342 trlgG= -0.289962 logG= -0.028252 TDE= -0.170473 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010669 tlogG= -0.046404 logG= -0.057073 Density= 0.324090 ETOT(band)= -0.347772 trlgG= -0.436634 logG= -0.057073 TDE= -0.341220 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010362 tlogG= -0.045651 logG= -0.056013 Density= 0.324151 ETOT(band)= -0.346823 trlgG= -0.434017 logG= -0.056013 TDE= -0.340603 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005484 tlogG= -0.023883 logG= -0.029366 Density= 0.215702 ETOT(band)= -0.233009 trlgG= -0.293902 logG= -0.029366 TDE= -0.170995 logGD-logG0= -0.009874 tlogG= -0.046610 logG= -0.056485 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322839 ETOT(band)= -0.347853 trlgG= -0.435454 logG= -0.056485 TDE= -0.340779 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006875 logG= -0.008495 Density= 0.040853 ETOT(band)= -0.042541 trlgG= -0.052692 logG= -0.008495 TDE= -0.056325 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005469 tlogG= -0.023942 logG= -0.029411 Density= 0.323739 ETOT(band)= -0.349538 trlgG= -0.441139 logG= -0.029411 TDE= -0.171043 logGD-logG0= -0.005123 tlogG= -0.023253 logG= -0.028376 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321845 ETOT(band)= -0.349381 trlgG= -0.438620 logG= -0.028376 TDE= -0.170423 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009112 tlogG= -0.048111 logG= -0.057223 Density= 0.425807 ETOT(band)= -0.466656 trlgG= -0.585120 logG= -0.057223 TDE= -0.340958 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005530 tlogG= -0.023669 logG= -0.029199 Density= 0.215474 ETOT(band)= -0.232853 trlgG= -0.293196 logG= -0.029199 TDE= -0.170817 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.048151 logG= -0.058484 logGD-logG0= -0.009610 tlogG= -0.046732 logG= -0.056342 Density= 0.428132 ETOT(band)= -0.464511 trlgG= -0.580498 logG= -0.056342 TDE= -0.340370 logGD-logG0= -0.004749 tlogG= -0.023369 logG= -0.028118 Density= 0.214288 ETOT(band)= -0.232572 trlgG= -0.291674 logG= -0.028118 TDE= -0.170488 Density= 0.429468 ETOT(band)= -0.466702 trlgG= -0.587286 logG= -0.058484 TDE= -0.341475 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009696 tlogG= -0.046605 logG= -0.056301 logGD-logG0= -0.005517 tlogG= -0.023371 logG= -0.028889 logGD-logG0= -0.010418 tlogG= -0.047691 logG= -0.058109 Density= 0.428317 ETOT(band)= -0.465242 trlgG= -0.583118 logG= -0.056301 TDE= -0.340794 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010990 tlogG= -0.047665 logG= -0.058655 Density= 0.428491 ETOT(band)= -0.466542 trlgG= -0.585845 logG= -0.058109 TDE= -0.341061 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215188 ETOT(band)= -0.232584 trlgG= -0.292046 logG= -0.028889 TDE= -0.170524 Density= 0.431212 ETOT(band)= -0.465961 trlgG= -0.587393 logG= -0.058655 TDE= -0.341898 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010670 tlogG= -0.048086 logG= -0.058756 Density= 0.430288 ETOT(band)= -0.466561 trlgG= -0.587703 logG= -0.058756 TDE= -0.341768 logGD-logG0= -0.009830 tlogG= -0.047836 logG= -0.057666 logGD-logG0= -0.005019 tlogG= -0.021302 logG= -0.026322 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162684 ETOT(band)= -0.172442 trlgG= -0.215469 logG= -0.026322 TDE= -0.169465 Density= 0.428241 ETOT(band)= -0.466549 trlgG= -0.586515 logG= -0.057666 TDE= -0.341421 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010463 tlogG= -0.048231 logG= -0.058694 logGD-logG0= -0.010500 tlogG= -0.047961 logG= -0.058461 Density= 0.429376 ETOT(band)= -0.466660 trlgG= -0.586903 logG= -0.058461 TDE= -0.341290 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009794 tlogG= -0.047684 logG= -0.057478 Density= 0.426914 ETOT(band)= -0.466719 trlgG= -0.585598 logG= -0.057478 TDE= -0.340944 Density= 0.430183 ETOT(band)= -0.466728 trlgG= -0.588027 logG= -0.058694 TDE= -0.341642 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010005 tlogG= -0.047858 logG= -0.057863 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429312 ETOT(band)= -0.466358 trlgG= -0.586535 logG= -0.057863 TDE= -0.341418 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.047802 logG= -0.057551 Density= 0.427412 ETOT(band)= -0.466283 trlgG= -0.584476 logG= -0.057551 TDE= -0.340654 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010836 tlogG= -0.047750 logG= -0.058586 Density= 0.430882 ETOT(band)= -0.466005 trlgG= -0.587018 logG= -0.058586 TDE= -0.341789 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010917 tlogG= -0.047988 logG= -0.058905 logGD-logG0= -0.010121 tlogG= -0.046402 logG= -0.056522 Density= 0.429732 ETOT(band)= -0.463989 trlgG= -0.580232 logG= -0.056522 TDE= -0.340494 Density= 0.431443 ETOT(band)= -0.466249 trlgG= -0.588389 logG= -0.058905 TDE= -0.342162 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.046941 logG= -0.057441 Density= 0.430056 ETOT(band)= -0.464921 trlgG= -0.582871 logG= -0.057441 TDE= -0.340744 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010896 tlogG= -0.047286 logG= -0.058182 Density= 0.430626 ETOT(band)= -0.465572 trlgG= -0.585541 logG= -0.058182 TDE= -0.341406 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010185 tlogG= -0.047559 logG= -0.057743 Density= 0.428806 ETOT(band)= -0.465892 trlgG= -0.584908 logG= -0.057743 TDE= -0.341110 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010425 tlogG= -0.047581 logG= -0.058006 Density= 0.430170 ETOT(band)= -0.465575 trlgG= -0.584801 logG= -0.058006 TDE= -0.341186 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005308 logG= -0.006541 Density= 0.081574 ETOT(band)= -0.085419 trlgG= -0.105995 logG= -0.006541 TDE= -0.042358 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004937 tlogG= -0.022330 logG= -0.027267 Density= 0.323010 ETOT(band)= -0.346822 trlgG= -0.433063 logG= -0.027267 TDE= -0.169831 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001731 tlogG= -0.007116 logG= -0.008846 Density= 0.072251 ETOT(band)= -0.076234 trlgG= -0.094641 logG= -0.008846 TDE= -0.056483 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001252 tlogG= -0.005469 logG= -0.006721 logGD-logG0= -0.001604 tlogG= -0.007592 logG= -0.009196 Density= 0.071538 ETOT(band)= -0.077080 trlgG= -0.095939 logG= -0.009196 TDE= -0.056600 Density= 0.081225 ETOT(band)= -0.086077 trlgG= -0.107142 logG= -0.006721 TDE= -0.042469 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010164 tlogG= -0.044635 logG= -0.054798 Density= 0.324398 ETOT(band)= -0.345554 trlgG= -0.431020 logG= -0.054798 TDE= -0.339933 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.021879 logG= -0.027067 Density= 0.216691 ETOT(band)= -0.229549 trlgG= -0.285881 logG= -0.027067 TDE= -0.169806 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005062 tlogG= -0.021206 logG= -0.026267 Density= 0.216418 ETOT(band)= -0.229294 trlgG= -0.284925 logG= -0.026267 TDE= -0.169384 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010020 tlogG= -0.044627 logG= -0.054647 Density= 0.431776 ETOT(band)= -0.460564 trlgG= -0.573488 logG= -0.054647 TDE= -0.339580 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -323.737967176062 eV TrLogG= -406.418403584470 eV Ratio to renormalize= 0.999636263099 rho-rho_expected= 0.008005123591 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.963636348473795 0.938252233099733 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002393 tlogG= -0.011412 logG= -0.013806 Density= 0.053741 ETOT(band)= -0.057803 trlgG= -0.072233 logG= -0.013806 TDE= -0.085021 logGD-logG0= -0.002384 tlogG= -0.011846 logG= -0.014230 Density= 0.053566 ETOT(band)= -0.058128 trlgG= -0.072990 logG= -0.014230 TDE= -0.085267 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005388 tlogG= -0.023627 logG= -0.029015 logGD-logG0= -0.005074 tlogG= -0.023608 logG= -0.028682 Density= 0.106993 ETOT(band)= -0.116382 trlgG= -0.145724 logG= -0.028682 TDE= -0.169986 Density= 0.107233 ETOT(band)= -0.116464 trlgG= -0.146271 logG= -0.029015 TDE= -0.170320 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.022816 logG= -0.028037 logGD-logG0= -0.005242 tlogG= -0.023129 logG= -0.028372 Density= 0.108171 ETOT(band)= -0.115698 trlgG= -0.145341 logG= -0.028372 TDE= -0.170498 Density= 0.107618 ETOT(band)= -0.115769 trlgG= -0.144788 logG= -0.028037 TDE= -0.170006 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004862 tlogG= -0.022779 logG= -0.027641 Density= 0.107311 ETOT(band)= -0.115697 trlgG= -0.144510 logG= -0.027641 TDE= -0.169972 logGD-logG0= -0.005405 tlogG= -0.023145 logG= -0.028550 Density= 0.107676 ETOT(band)= -0.116022 trlgG= -0.145598 logG= -0.028550 TDE= -0.170332 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002660 tlogG= -0.011999 logG= -0.014659 Density= 0.053757 ETOT(band)= -0.058270 trlgG= -0.073403 logG= -0.014659 TDE= -0.085346 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002479 tlogG= -0.012045 logG= -0.014524 Density= 0.053586 ETOT(band)= -0.058274 trlgG= -0.073354 logG= -0.014524 TDE= -0.085347 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002637 tlogG= -0.011938 logG= -0.014574 Density= 0.054120 ETOT(band)= -0.058047 trlgG= -0.073287 logG= -0.014574 TDE= -0.085494 logGD-logG0= -0.000202 tlogG= -0.000850 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004713 trlgG= -0.005832 logG= -0.001051 TDE= -0.007028 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023779 logG= -0.029059 logGD-logG0= -0.005344 tlogG= -0.023900 logG= -0.029244 Density= 0.107437 ETOT(band)= -0.116524 trlgG= -0.146674 logG= -0.029244 TDE= -0.170595 Density= 0.108215 ETOT(band)= -0.116053 trlgG= -0.146428 logG= -0.029059 TDE= -0.170920 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001518 tlogG= -0.007791 logG= -0.009309 Density= 0.035505 ETOT(band)= -0.038735 trlgG= -0.048421 logG= -0.009309 TDE= -0.056682 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023856 logG= -0.029150 Density= 0.108194 ETOT(band)= -0.116116 trlgG= -0.146576 logG= -0.029150 TDE= -0.170966 logGD-logG0= -0.005247 tlogG= -0.022897 logG= -0.028144 Density= 0.108118 ETOT(band)= -0.115601 trlgG= -0.144983 logG= -0.028144 TDE= -0.170341 logGD-logG0= -0.004946 tlogG= -0.023620 logG= -0.028566 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005388 tlogG= -0.024011 logG= -0.029400 Density= 0.107628 ETOT(band)= -0.116544 trlgG= -0.146954 logG= -0.029400 TDE= -0.170814 logGD-logG0= -0.009970 tlogG= -0.047077 logG= -0.057047 Density= 0.213816 ETOT(band)= -0.232681 trlgG= -0.291502 logG= -0.057047 TDE= -0.340262 Density= 0.107380 ETOT(band)= -0.116187 trlgG= -0.145861 logG= -0.028566 TDE= -0.170432 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.023341 logG= -0.028635 Density= 0.108107 ETOT(band)= -0.115874 trlgG= -0.145757 logG= -0.028635 TDE= -0.170618 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.022377 logG= -0.027551 Density= 0.108191 ETOT(band)= -0.115228 trlgG= -0.144039 logG= -0.027551 TDE= -0.170026 logGD-logG0= -0.004438 tlogG= -0.023915 logG= -0.028353 Density= 0.106209 ETOT(band)= -0.116541 trlgG= -0.146109 logG= -0.028353 TDE= -0.170314 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009692 tlogG= -0.047849 logG= -0.057541 logGD-logG0= -0.005304 tlogG= -0.023671 logG= -0.028975 Density= 0.213319 ETOT(band)= -0.233127 trlgG= -0.292403 logG= -0.057541 TDE= -0.340423 logGD-logG0= -0.004628 tlogG= -0.023995 logG= -0.028623 Density= 0.106420 ETOT(band)= -0.116582 trlgG= -0.146247 logG= -0.028623 TDE= -0.170286 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108147 ETOT(band)= -0.116039 trlgG= -0.146295 logG= -0.028975 TDE= -0.170837 logGD-logG0= -0.004718 tlogG= -0.023149 logG= -0.027868 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005417 tlogG= -0.023848 logG= -0.029265 Density= 0.107734 ETOT(band)= -0.116415 trlgG= -0.146746 logG= -0.029265 TDE= -0.170793 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.024025 logG= -0.029132 Density= 0.106767 ETOT(band)= -0.116062 trlgG= -0.144921 logG= -0.027868 TDE= -0.169887 Density= 0.107375 ETOT(band)= -0.116499 trlgG= -0.146604 logG= -0.029132 TDE= -0.170607 logGD-logG0= -0.002706 tlogG= -0.011938 logG= -0.014644 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053970 ETOT(band)= -0.058162 trlgG= -0.073399 logG= -0.014644 TDE= -0.085462 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022786 logG= -0.027766 Density= 0.107747 ETOT(band)= -0.115568 trlgG= -0.144401 logG= -0.027766 TDE= -0.169954 logGD-logG0= -0.005443 tlogG= -0.023986 logG= -0.029429 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005470 tlogG= -0.024036 logG= -0.029505 Density= 0.107790 ETOT(band)= -0.116545 trlgG= -0.147149 logG= -0.029505 TDE= -0.170984 logGD-logG0= -0.004806 tlogG= -0.022935 logG= -0.027741 Density= 0.106900 ETOT(band)= -0.115935 trlgG= -0.144645 logG= -0.027741 TDE= -0.169803 Density= 0.107864 ETOT(band)= -0.116461 trlgG= -0.147030 logG= -0.029429 TDE= -0.170978 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.023621 logG= -0.028385 Density= 0.106625 ETOT(band)= -0.116395 trlgG= -0.145809 logG= -0.028385 TDE= -0.170188 logGD-logG0= -0.005172 tlogG= -0.022652 logG= -0.027824 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108231 ETOT(band)= -0.115367 trlgG= -0.144477 logG= -0.027824 TDE= -0.170211 logGD-logG0= -0.005278 tlogG= -0.023515 logG= -0.028793 logGD-logG0= -0.005129 tlogG= -0.022343 logG= -0.027473 Density= 0.107642 ETOT(band)= -0.115435 trlgG= -0.143896 logG= -0.027473 TDE= -0.169690 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108174 ETOT(band)= -0.115924 trlgG= -0.146005 logG= -0.028793 TDE= -0.170742 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004821 tlogG= -0.023452 logG= -0.028273 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.023994 logG= -0.028992 Density= 0.106799 ETOT(band)= -0.116255 trlgG= -0.145414 logG= -0.028273 TDE= -0.169990 Density= 0.107063 ETOT(band)= -0.116549 trlgG= -0.146611 logG= -0.028992 TDE= -0.170600 logGD-logG0= -0.004976 tlogG= -0.023858 logG= -0.028834 Density= 0.106775 ETOT(band)= -0.116557 trlgG= -0.146343 logG= -0.028834 TDE= -0.170346 logGD-logG0= -0.004826 tlogG= -0.023611 logG= -0.028437 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106991 ETOT(band)= -0.116291 trlgG= -0.145931 logG= -0.028437 TDE= -0.170438 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.008023 logG= -0.009459 Density= 0.035328 ETOT(band)= -0.038880 trlgG= -0.048780 logG= -0.009459 TDE= -0.056803 logGD-logG0= -0.004411 tlogG= -0.023992 logG= -0.028402 Density= 0.106158 ETOT(band)= -0.116583 trlgG= -0.146220 logG= -0.028402 TDE= -0.170350 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005429 tlogG= -0.023772 logG= -0.029201 Density= 0.107892 ETOT(band)= -0.116291 trlgG= -0.146652 logG= -0.029201 TDE= -0.170841 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.048099 logG= -0.058115 Density= 0.214406 ETOT(band)= -0.233066 trlgG= -0.293313 logG= -0.058115 TDE= -0.341297 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.045444 logG= -0.055434 Density= 0.214401 ETOT(band)= -0.231570 trlgG= -0.289091 logG= -0.055434 TDE= -0.339753 logGD-logG0= -0.009712 tlogG= -0.045622 logG= -0.055333 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005463 tlogG= -0.023482 logG= -0.028946 Density= 0.107784 ETOT(band)= -0.116190 trlgG= -0.146232 logG= -0.028946 TDE= -0.170623 Density= 0.215034 ETOT(band)= -0.231241 trlgG= -0.288939 logG= -0.055333 TDE= -0.340016 logGD-logG0= -0.009282 tlogG= -0.047527 logG= -0.056809 logGD-logG0= -0.009884 tlogG= -0.047008 logG= -0.056891 Density= 0.213805 ETOT(band)= -0.232635 trlgG= -0.291707 logG= -0.056891 TDE= -0.340616 Density= 0.212990 ETOT(band)= -0.232904 trlgG= -0.291797 logG= -0.056809 TDE= -0.340386 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009658 tlogG= -0.047301 logG= -0.056959 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214330 ETOT(band)= -0.232485 trlgG= -0.291861 logG= -0.056959 TDE= -0.340963 logGD-logG0= -0.010733 tlogG= -0.047614 logG= -0.058347 logGD-logG0= -0.010162 tlogG= -0.047750 logG= -0.057912 Density= 0.213990 ETOT(band)= -0.233090 trlgG= -0.292980 logG= -0.057912 TDE= -0.340961 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214749 ETOT(band)= -0.233007 trlgG= -0.293096 logG= -0.058347 TDE= -0.341018 logGD-logG0= -0.010528 tlogG= -0.047858 logG= -0.058386 Density= 0.215055 ETOT(band)= -0.232925 trlgG= -0.293202 logG= -0.058386 TDE= -0.341236 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005418 tlogG= -0.023958 logG= -0.029377 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107921 ETOT(band)= -0.116397 trlgG= -0.146946 logG= -0.029377 TDE= -0.170974 logGD-logG0= -0.010687 tlogG= -0.047953 logG= -0.058640 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215050 ETOT(band)= -0.233071 trlgG= -0.293619 logG= -0.058640 TDE= -0.341396 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010762 tlogG= -0.047893 logG= -0.058655 logGD-logG0= -0.010775 tlogG= -0.047317 logG= -0.058092 Density= 0.215439 ETOT(band)= -0.232574 trlgG= -0.292775 logG= -0.058092 TDE= -0.341293 Density= 0.215086 ETOT(band)= -0.233063 trlgG= -0.293646 logG= -0.058655 TDE= -0.341426 logGD-logG0= -0.010594 tlogG= -0.047655 logG= -0.058249 logGD-logG0= -0.010906 tlogG= -0.047332 logG= -0.058238 Density= 0.214653 ETOT(band)= -0.232996 trlgG= -0.292923 logG= -0.058249 TDE= -0.340895 Density= 0.215661 ETOT(band)= -0.232543 trlgG= -0.293028 logG= -0.058238 TDE= -0.341510 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001726 tlogG= -0.007286 logG= -0.009013 logGD-logG0= -0.001672 tlogG= -0.006967 logG= -0.008639 Density= 0.036189 ETOT(band)= -0.037961 trlgG= -0.047083 logG= -0.008639 TDE= -0.056352 logGD-logG0= -0.010281 tlogG= -0.047891 logG= -0.058172 Density= 0.214533 ETOT(band)= -0.233019 trlgG= -0.293073 logG= -0.058172 TDE= -0.341063 logGD-logG0= -0.010835 tlogG= -0.047744 logG= -0.058579 Density= 0.035848 ETOT(band)= -0.038398 trlgG= -0.047728 logG= -0.009013 TDE= -0.056455 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215847 ETOT(band)= -0.232667 trlgG= -0.293598 logG= -0.058579 TDE= -0.341831 logGD-logG0= -0.010088 tlogG= -0.045519 logG= -0.055606 Density= 0.215162 ETOT(band)= -0.231323 trlgG= -0.288939 logG= -0.055606 TDE= -0.339805 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002527 tlogG= -0.010808 logG= -0.013335 logGD-logG0= -0.010888 tlogG= -0.047691 logG= -0.058578 logGD-logG0= -0.010388 tlogG= -0.046294 logG= -0.056682 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215724 ETOT(band)= -0.232733 trlgG= -0.293591 logG= -0.058578 TDE= -0.341763 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054060 ETOT(band)= -0.057333 trlgG= -0.071282 logG= -0.013335 TDE= -0.084699 Density= 0.215213 ETOT(band)= -0.231892 trlgG= -0.290527 logG= -0.056682 TDE= -0.340343 logGD-logG0= -0.010334 tlogG= -0.047579 logG= -0.057912 logGD-logG0= -0.002474 tlogG= -0.010390 logG= -0.012864 Density= 0.054365 ETOT(band)= -0.056826 trlgG= -0.070450 logG= -0.012864 TDE= -0.084488 Density= 0.213972 ETOT(band)= -0.233076 trlgG= -0.292733 logG= -0.057912 TDE= -0.340705 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010008 tlogG= -0.047085 logG= -0.057093 logGD-logG0= -0.010548 tlogG= -0.047245 logG= -0.057794 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214276 ETOT(band)= -0.232882 trlgG= -0.292213 logG= -0.057794 TDE= -0.340454 Density= 0.214492 ETOT(band)= -0.232453 trlgG= -0.291646 logG= -0.057093 TDE= -0.340694 logGD-logG0= -0.010868 tlogG= -0.048034 logG= -0.058901 Density= 0.215390 ETOT(band)= -0.233098 trlgG= -0.294094 logG= -0.058901 TDE= -0.341778 52) Finished k-point 105 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010816 tlogG= -0.046776 logG= -0.057592 Density= 0.215408 ETOT(band)= -0.232295 trlgG= -0.291977 logG= -0.057592 TDE= -0.340979 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.047031 logG= -0.057332 Density= 0.215142 ETOT(band)= -0.232293 trlgG= -0.291538 logG= -0.057332 TDE= -0.340669 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021491 logG= -0.026534 Density= 0.108496 ETOT(band)= -0.114379 trlgG= -0.142323 logG= -0.026534 TDE= -0.169478 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010265 tlogG= -0.043262 logG= -0.053527 Density= 0.216265 ETOT(band)= -0.229448 trlgG= -0.285453 logG= -0.053527 TDE= -0.338945 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005129 tlogG= -0.021799 logG= -0.026927 logGD-logG0= -0.005124 tlogG= -0.022098 logG= -0.027222 Density= 0.108310 ETOT(band)= -0.114739 trlgG= -0.142994 logG= -0.026927 TDE= -0.169664 Density= 0.108338 ETOT(band)= -0.114913 trlgG= -0.143481 logG= -0.027222 TDE= -0.169870 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004965 tlogG= -0.020917 logG= -0.025882 Density= 0.108685 ETOT(band)= -0.113798 trlgG= -0.141176 logG= -0.025882 TDE= -0.169077 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005194 tlogG= -0.021750 logG= -0.026944 Density= 0.107794 ETOT(band)= -0.115011 trlgG= -0.143033 logG= -0.026944 TDE= -0.169430 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005137 tlogG= -0.021627 logG= -0.026764 Density= 0.107932 ETOT(band)= -0.114823 trlgG= -0.142730 logG= -0.026764 TDE= -0.169376 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001293 tlogG= -0.005727 logG= -0.007020 Density= 0.080636 ETOT(band)= -0.087001 trlgG= -0.109211 logG= -0.007020 TDE= -0.042596 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005600 logG= -0.006871 Density= 0.080837 ETOT(band)= -0.086577 trlgG= -0.108216 logG= -0.006871 TDE= -0.042521 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023883 logG= -0.029072 Density= 0.214348 ETOT(band)= -0.233019 trlgG= -0.292801 logG= -0.029072 TDE= -0.170464 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.023847 logG= -0.028833 Density= 0.213821 ETOT(band)= -0.232911 trlgG= -0.291881 logG= -0.028833 TDE= -0.170189 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023323 logG= -0.028675 Density= 0.216156 ETOT(band)= -0.231648 trlgG= -0.291155 logG= -0.028675 TDE= -0.170576 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023159 logG= -0.028405 Density= 0.214880 ETOT(band)= -0.231893 trlgG= -0.290112 logG= -0.028405 TDE= -0.169998 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005519 tlogG= -0.023314 logG= -0.028833 Density= 0.215099 ETOT(band)= -0.232305 trlgG= -0.291612 logG= -0.028833 TDE= -0.170339 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.022258 logG= -0.027173 Density= 0.215048 ETOT(band)= -0.230892 trlgG= -0.288032 logG= -0.027173 TDE= -0.169662 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001309 tlogG= -0.005834 logG= -0.007142 Density= 0.080643 ETOT(band)= -0.087218 trlgG= -0.109767 logG= -0.007142 TDE= -0.042660 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001315 tlogG= -0.005916 logG= -0.007231 Density= 0.080818 ETOT(band)= -0.087261 trlgG= -0.109956 logG= -0.007231 TDE= -0.042713 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001462 tlogG= -0.007945 logG= -0.009407 Density= 0.070893 ETOT(band)= -0.077568 trlgG= -0.097082 logG= -0.009407 TDE= -0.056765 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023861 logG= -0.029193 Density= 0.216325 ETOT(band)= -0.232237 trlgG= -0.293076 logG= -0.029193 TDE= -0.170952 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004520 tlogG= -0.023682 logG= -0.028202 logGD-logG0= -0.004577 tlogG= -0.023529 logG= -0.028106 Density= 0.212695 ETOT(band)= -0.232849 trlgG= -0.291631 logG= -0.028106 TDE= -0.170110 Density= 0.213156 ETOT(band)= -0.232459 trlgG= -0.290671 logG= -0.028202 TDE= -0.170194 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.024086 logG= -0.029215 Density= 0.214733 ETOT(band)= -0.233105 trlgG= -0.293434 logG= -0.029215 TDE= -0.170641 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004683 tlogG= -0.023840 logG= -0.028523 Density= 0.213338 ETOT(band)= -0.232742 trlgG= -0.291422 logG= -0.028523 TDE= -0.170206 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006850 logG= -0.008479 Density= 0.040836 ETOT(band)= -0.042492 trlgG= -0.052619 logG= -0.008479 TDE= -0.056268 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005053 tlogG= -0.022860 logG= -0.027913 Density= 0.214823 ETOT(band)= -0.231333 trlgG= -0.288609 logG= -0.027913 TDE= -0.169839 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001314 tlogG= -0.005961 logG= -0.007275 Density= 0.081039 ETOT(band)= -0.087173 trlgG= -0.110021 logG= -0.007275 TDE= -0.042743 logGD-logG0= -0.005375 tlogG= -0.023903 logG= -0.029278 Density= 0.215644 ETOT(band)= -0.232830 trlgG= -0.293740 logG= -0.029278 TDE= -0.170959 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023432 logG= -0.028784 Density= 0.215202 ETOT(band)= -0.232281 trlgG= -0.291840 logG= -0.028784 TDE= -0.170551 logGD-logG0= -0.005045 tlogG= -0.021227 logG= -0.026272 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162614 ETOT(band)= -0.172240 trlgG= -0.215162 logG= -0.026272 TDE= -0.169291 logGD-logG0= -0.005407 tlogG= -0.023702 logG= -0.029109 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215308 ETOT(band)= -0.232722 trlgG= -0.293109 logG= -0.029109 TDE= -0.170806 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.047687 logG= -0.057436 Density= 0.427259 ETOT(band)= -0.465705 trlgG= -0.583622 logG= -0.057436 TDE= -0.340306 logGD-logG0= -0.004384 tlogG= -0.024071 logG= -0.028455 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212255 ETOT(band)= -0.233214 trlgG= -0.292562 logG= -0.028455 TDE= -0.170388 logGD-logG0= -0.009793 tlogG= -0.047571 logG= -0.057364 Density= 0.426763 ETOT(band)= -0.466137 trlgG= -0.584731 logG= -0.057364 TDE= -0.340587 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.023903 logG= -0.029243 Density= 0.216291 ETOT(band)= -0.232339 trlgG= -0.293305 logG= -0.029243 TDE= -0.170978 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005466 tlogG= -0.024020 logG= -0.029486 Density= 0.215675 ETOT(band)= -0.232985 trlgG= -0.294151 logG= -0.029486 TDE= -0.170984 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004884 tlogG= -0.023933 logG= -0.028816 Density= 0.321577 ETOT(band)= -0.349490 trlgG= -0.439723 logG= -0.028816 TDE= -0.170628 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023296 logG= -0.028093 Density= 0.321664 ETOT(band)= -0.348441 trlgG= -0.437146 logG= -0.028093 TDE= -0.170306 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.023668 logG= -0.029017 Density= 0.216223 ETOT(band)= -0.232034 trlgG= -0.292366 logG= -0.029017 TDE= -0.170812 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.024093 logG= -0.029246 Density= 0.322416 ETOT(band)= -0.349640 trlgG= -0.440373 logG= -0.029246 TDE= -0.170638 logGD-logG0= -0.005180 tlogG= -0.023783 logG= -0.028964 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215464 ETOT(band)= -0.232724 trlgG= -0.293182 logG= -0.028964 TDE= -0.170489 logGD-logG0= -0.001240 tlogG= -0.005289 logG= -0.006529 Density= 0.081539 ETOT(band)= -0.085319 trlgG= -0.105846 logG= -0.006529 TDE= -0.042314 logGD-logG0= -0.005514 tlogG= -0.023797 logG= -0.029311 Density= 0.215606 ETOT(band)= -0.232733 trlgG= -0.293470 logG= -0.029311 TDE= -0.170809 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010907 tlogG= -0.047915 logG= -0.058822 Density= 0.323194 ETOT(band)= -0.349432 trlgG= -0.440718 logG= -0.058822 TDE= -0.341770 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004656 tlogG= -0.023923 logG= -0.028578 Density= 0.212872 ETOT(band)= -0.233135 trlgG= -0.292402 logG= -0.028578 TDE= -0.170254 logGD-logG0= -0.010705 tlogG= -0.047595 logG= -0.058300 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324264 ETOT(band)= -0.348407 trlgG= -0.439447 logG= -0.058300 TDE= -0.341797 logGD-logG0= -0.010745 tlogG= -0.047047 logG= -0.057792 Density= 0.324065 ETOT(band)= -0.348029 trlgG= -0.438090 logG= -0.057792 TDE= -0.341408 logGD-logG0= -0.004896 tlogG= -0.023168 logG= -0.028064 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213549 ETOT(band)= -0.232503 trlgG= -0.291105 logG= -0.028064 TDE= -0.170144 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010710 tlogG= -0.046255 logG= -0.056965 logGD-logG0= -0.010385 tlogG= -0.045521 logG= -0.055906 Density= 0.324019 ETOT(band)= -0.346411 trlgG= -0.433386 logG= -0.055906 TDE= -0.340243 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323952 ETOT(band)= -0.347361 trlgG= -0.435999 logG= -0.056965 TDE= -0.340857 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.022881 logG= -0.028199 logGD-logG0= -0.005558 tlogG= -0.023585 logG= -0.029144 Density= 0.216197 ETOT(band)= -0.231069 trlgG= -0.289542 logG= -0.028199 TDE= -0.170293 Density= 0.215381 ETOT(band)= -0.232576 trlgG= -0.292763 logG= -0.029144 TDE= -0.170632 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001740 tlogG= -0.007090 logG= -0.008830 Density= 0.072222 ETOT(band)= -0.076144 trlgG= -0.094506 logG= -0.008830 TDE= -0.056424 logGD-logG0= -0.004852 tlogG= -0.023931 logG= -0.028783 Density= 0.214137 ETOT(band)= -0.232998 trlgG= -0.293039 logG= -0.028783 TDE= -0.170630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009118 tlogG= -0.047989 logG= -0.057107 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425669 ETOT(band)= -0.466065 trlgG= -0.584275 logG= -0.057107 TDE= -0.340616 logGD-logG0= -0.004946 tlogG= -0.023758 logG= -0.028705 Density= 0.213610 ETOT(band)= -0.233041 trlgG= -0.292625 logG= -0.028705 TDE= -0.170445 logGD-logG0= -0.001606 tlogG= -0.007572 logG= -0.009178 Density= 0.071513 ETOT(band)= -0.076985 trlgG= -0.095799 logG= -0.009178 TDE= -0.056542 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009617 tlogG= -0.046613 logG= -0.056230 Density= 0.427984 ETOT(band)= -0.463936 trlgG= -0.579644 logG= -0.056230 TDE= -0.340015 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.022220 logG= -0.027288 Density= 0.214305 ETOT(band)= -0.231354 trlgG= -0.288355 logG= -0.027288 TDE= -0.169572 logGD-logG0= -0.005351 tlogG= -0.024026 logG= -0.029377 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323014 ETOT(band)= -0.349632 trlgG= -0.441008 logG= -0.029377 TDE= -0.170796 logGD-logG0= -0.005499 tlogG= -0.023856 logG= -0.029355 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323593 ETOT(band)= -0.349125 trlgG= -0.440492 logG= -0.029355 TDE= -0.170858 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005135 tlogG= -0.023186 logG= -0.028321 Density= 0.321719 ETOT(band)= -0.348955 trlgG= -0.437977 logG= -0.028321 TDE= -0.170241 logGD-logG0= -0.009905 tlogG= -0.046471 logG= -0.056375 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322714 ETOT(band)= -0.347432 trlgG= -0.434830 logG= -0.056375 TDE= -0.340430 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023297 logG= -0.028063 Density= 0.214211 ETOT(band)= -0.232285 trlgG= -0.291247 logG= -0.028063 TDE= -0.170311 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010151 tlogG= -0.046261 logG= -0.056412 Density= 0.429570 ETOT(band)= -0.463424 trlgG= -0.579395 logG= -0.056412 TDE= -0.340144 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010363 tlogG= -0.048007 logG= -0.058370 Density= 0.429292 ETOT(band)= -0.466137 trlgG= -0.586422 logG= -0.058370 TDE= -0.341122 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010858 tlogG= -0.047616 logG= -0.058475 logGD-logG0= -0.010695 tlogG= -0.047948 logG= -0.058643 Density= 0.430104 ETOT(band)= -0.466000 trlgG= -0.586823 logG= -0.058643 TDE= -0.341395 logGD-logG0= -0.009863 tlogG= -0.047690 logG= -0.057553 Density= 0.428079 ETOT(band)= -0.465974 trlgG= -0.585657 logG= -0.057553 TDE= -0.341066 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430695 ETOT(band)= -0.465449 trlgG= -0.586147 logG= -0.058475 TDE= -0.341418 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010490 tlogG= -0.048091 logG= -0.058581 Density= 0.430000 ETOT(band)= -0.466166 trlgG= -0.587145 logG= -0.058581 TDE= -0.341268 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011042 tlogG= -0.047502 logG= -0.058544 Density= 0.431022 ETOT(band)= -0.465408 trlgG= -0.586527 logG= -0.058544 TDE= -0.341526 logGD-logG0= -0.009729 tlogG= -0.046461 logG= -0.056190 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428163 ETOT(band)= -0.464668 trlgG= -0.582263 logG= -0.056190 TDE= -0.340442 logGD-logG0= -0.010528 tlogG= -0.047820 logG= -0.058348 logGD-logG0= -0.001222 tlogG= -0.005154 logG= -0.006375 Density= 0.429200 ETOT(band)= -0.466094 trlgG= -0.586035 logG= -0.058348 TDE= -0.340933 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062548 ETOT(band)= -0.067228 trlgG= -0.083899 logG= -0.006375 TDE= -0.042213 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010415 tlogG= -0.047579 logG= -0.057995 Density= 0.428325 ETOT(band)= -0.465971 trlgG= -0.584992 logG= -0.057995 TDE= -0.340706 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010976 tlogG= -0.047818 logG= -0.058794 Density= 0.431250 ETOT(band)= -0.465696 trlgG= -0.587522 logG= -0.058794 TDE= -0.341790 logGD-logG0= -0.010034 tlogG= -0.047716 logG= -0.057750 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429140 ETOT(band)= -0.465791 trlgG= -0.585692 logG= -0.057750 TDE= -0.341067 logGD-logG0= -0.005213 tlogG= -0.021804 logG= -0.027016 Density= 0.216603 ETOT(band)= -0.229277 trlgG= -0.285472 logG= -0.027016 TDE= -0.169629 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010215 tlogG= -0.047415 logG= -0.057630 Density= 0.428642 ETOT(band)= -0.465322 trlgG= -0.584060 logG= -0.057630 TDE= -0.340757 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010526 tlogG= -0.046803 logG= -0.057329 Density= 0.429884 ETOT(band)= -0.464361 trlgG= -0.582003 logG= -0.057329 TDE= -0.340377 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.044501 logG= -0.054693 Density= 0.324268 ETOT(band)= -0.345142 trlgG= -0.430397 logG= -0.054693 TDE= -0.339577 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.022261 logG= -0.027215 Density= 0.322889 ETOT(band)= -0.346402 trlgG= -0.432439 logG= -0.027215 TDE= -0.169657 logGD-logG0= -0.010920 tlogG= -0.047152 logG= -0.058071 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430444 ETOT(band)= -0.465016 trlgG= -0.584673 logG= -0.058071 TDE= -0.341035 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010451 tlogG= -0.047443 logG= -0.057895 Density= 0.429993 ETOT(band)= -0.465015 trlgG= -0.583930 logG= -0.057895 TDE= -0.340816 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.021274 logG= -0.026402 Density= 0.216986 ETOT(band)= -0.228182 trlgG= -0.283288 logG= -0.026402 TDE= -0.169301 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005233 tlogG= -0.022376 logG= -0.027609 Density= 0.216344 ETOT(band)= -0.230258 trlgG= -0.287608 logG= -0.027609 TDE= -0.169964 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005450 logG= -0.006708 Density= 0.081192 ETOT(band)= -0.085975 trlgG= -0.106989 logG= -0.006708 TDE= -0.042425 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005023 tlogG= -0.022426 logG= -0.027449 Density= 0.215050 ETOT(band)= -0.230595 trlgG= -0.286991 logG= -0.027449 TDE= -0.169584 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005088 tlogG= -0.021130 logG= -0.026218 Density= 0.216333 ETOT(band)= -0.229021 trlgG= -0.284515 logG= -0.026218 TDE= -0.169209 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010054 tlogG= -0.044489 logG= -0.054542 Density= 0.431610 ETOT(band)= -0.460011 trlgG= -0.572663 logG= -0.054542 TDE= -0.339231 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -323.346318967131 eV TrLogG= -405.765172943539 eV Ratio to renormalize= 1.000035399620 rho-rho_expected=-0.000778764081 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.963951240450813 0.938861967528028 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004436 tlogG= -0.023988 logG= -0.028424 Density= 0.106248 ETOT(band)= -0.116714 trlgG= -0.146358 logG= -0.028424 TDE= -0.170510 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004716 tlogG= -0.023221 logG= -0.027937 Density= 0.106808 ETOT(band)= -0.116230 trlgG= -0.145165 logG= -0.027937 TDE= -0.170082 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022425 logG= -0.027540 Density= 0.107687 ETOT(band)= -0.115598 trlgG= -0.144149 logG= -0.027540 TDE= -0.169898 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001725 tlogG= -0.007310 logG= -0.009035 Density= 0.035863 ETOT(band)= -0.038453 trlgG= -0.047812 logG= -0.009035 TDE= -0.056524 logGD-logG0= -0.002460 tlogG= -0.010436 logG= -0.012896 Density= 0.054390 ETOT(band)= -0.056906 trlgG= -0.070570 logG= -0.012896 TDE= -0.084589 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004937 tlogG= -0.021008 logG= -0.025945 Density= 0.108735 ETOT(band)= -0.113957 trlgG= -0.141418 logG= -0.025945 TDE= -0.169280 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005177 tlogG= -0.021833 logG= -0.027010 Density= 0.107839 ETOT(band)= -0.115174 trlgG= -0.143283 logG= -0.027010 TDE= -0.169637 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005119 tlogG= -0.021710 logG= -0.026829 Density= 0.107979 ETOT(band)= -0.114985 trlgG= -0.142979 logG= -0.026829 TDE= -0.169583 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004810 tlogG= -0.023696 logG= -0.028506 logGD-logG0= -0.000201 tlogG= -0.000853 logG= -0.001054 Density= 0.004544 ETOT(band)= -0.004719 trlgG= -0.005842 logG= -0.001054 TDE= -0.007037 Density= 0.107034 ETOT(band)= -0.116459 trlgG= -0.146182 logG= -0.028506 TDE= -0.170642 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002471 tlogG= -0.012087 logG= -0.014558 Density= 0.053609 ETOT(band)= -0.058357 trlgG= -0.073478 logG= -0.014558 TDE= -0.085448 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002653 tlogG= -0.012040 logG= -0.014693 Density= 0.053783 ETOT(band)= -0.058352 trlgG= -0.073531 logG= -0.014693 TDE= -0.085453 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.023673 logG= -0.028752 Density= 0.107038 ETOT(band)= -0.116549 trlgG= -0.145978 logG= -0.028752 TDE= -0.170194 logGD-logG0= -0.001517 tlogG= -0.007816 logG= -0.009332 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035518 ETOT(band)= -0.038792 trlgG= -0.048503 logG= -0.009332 TDE= -0.056747 logGD-logG0= -0.001434 tlogG= -0.008048 logG= -0.009482 Density= 0.035340 ETOT(band)= -0.038938 trlgG= -0.048863 logG= -0.009482 TDE= -0.056869 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.022896 logG= -0.028104 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107665 ETOT(band)= -0.115933 trlgG= -0.145042 logG= -0.028104 TDE= -0.170216 logGD-logG0= -0.004765 tlogG= -0.023690 logG= -0.028455 Density= 0.106667 ETOT(band)= -0.116565 trlgG= -0.146063 logG= -0.028455 TDE= -0.170393 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023769 logG= -0.029040 Density= 0.108201 ETOT(band)= -0.116199 trlgG= -0.146544 logG= -0.029040 TDE= -0.171047 logGD-logG0= -0.005260 tlogG= -0.023955 logG= -0.029215 logGD-logG0= -0.004409 tlogG= -0.024065 logG= -0.028474 Density= 0.108249 ETOT(band)= -0.116275 trlgG= -0.146824 logG= -0.029215 TDE= -0.171176 logGD-logG0= -0.002376 tlogG= -0.011889 logG= -0.014265 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053589 ETOT(band)= -0.058212 trlgG= -0.073115 logG= -0.014265 TDE= -0.085369 Density= 0.106196 ETOT(band)= -0.116756 trlgG= -0.146469 logG= -0.028474 TDE= -0.170547 logGD-logG0= -0.002620 tlogG= -0.011987 logG= -0.014607 Density= 0.054147 ETOT(band)= -0.058126 trlgG= -0.073411 logG= -0.014607 TDE= -0.085599 logGD-logG0= -0.005147 tlogG= -0.022471 logG= -0.027618 logGD-logG0= -0.005376 tlogG= -0.024092 logG= -0.029468 Density= 0.108239 ETOT(band)= -0.115389 trlgG= -0.144288 logG= -0.027618 TDE= -0.170232 Density= 0.107679 ETOT(band)= -0.116707 trlgG= -0.147211 logG= -0.029468 TDE= -0.171029 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.022993 logG= -0.028210 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023438 logG= -0.028701 Density= 0.108159 ETOT(band)= -0.116034 trlgG= -0.146006 logG= -0.028701 TDE= -0.170828 Density= 0.108168 ETOT(band)= -0.115762 trlgG= -0.145232 logG= -0.028210 TDE= -0.170549 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023222 logG= -0.028617 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107725 ETOT(band)= -0.116185 trlgG= -0.145853 logG= -0.028617 TDE= -0.170543 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.024108 logG= -0.029201 logGD-logG0= -0.005407 tlogG= -0.023926 logG= -0.029333 Density= 0.107786 ETOT(band)= -0.116577 trlgG= -0.147001 logG= -0.029333 TDE= -0.171006 Density= 0.107424 ETOT(band)= -0.116664 trlgG= -0.146849 logG= -0.029201 TDE= -0.170807 logGD-logG0= -0.005409 tlogG= -0.024087 logG= -0.029496 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107917 ETOT(band)= -0.116623 trlgG= -0.147284 logG= -0.029496 TDE= -0.171191 logGD-logG0= -0.004931 tlogG= -0.023703 logG= -0.028634 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107427 ETOT(band)= -0.116352 trlgG= -0.146106 logG= -0.028634 TDE= -0.170633 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.023877 logG= -0.029124 logGD-logG0= -0.002689 tlogG= -0.011988 logG= -0.014677 Density= 0.053997 ETOT(band)= -0.058242 trlgG= -0.073525 logG= -0.014677 TDE= -0.085568 logGD-logG0= -0.005247 tlogG= -0.023612 logG= -0.028859 Density= 0.108228 ETOT(band)= -0.116083 trlgG= -0.146254 logG= -0.028859 TDE= -0.170952 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108270 ETOT(band)= -0.116212 trlgG= -0.146676 logG= -0.029124 TDE= -0.171130 logGD-logG0= -0.005330 tlogG= -0.023982 logG= -0.029312 logGD-logG0= -0.005441 tlogG= -0.024133 logG= -0.029573 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107843 ETOT(band)= -0.116708 trlgG= -0.147405 logG= -0.029573 TDE= -0.171198 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107487 ETOT(band)= -0.116688 trlgG= -0.146933 logG= -0.029312 TDE= -0.170810 logGD-logG0= -0.004982 tlogG= -0.024079 logG= -0.029061 Density= 0.107110 ETOT(band)= -0.116715 trlgG= -0.146861 logG= -0.029061 TDE= -0.170803 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004804 tlogG= -0.023006 logG= -0.027810 Density= 0.106941 ETOT(band)= -0.116103 trlgG= -0.144896 logG= -0.027810 TDE= -0.170006 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004822 tlogG= -0.023521 logG= -0.028343 logGD-logG0= -0.004966 tlogG= -0.022867 logG= -0.027833 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107794 ETOT(band)= -0.115731 trlgG= -0.144645 logG= -0.027833 TDE= -0.170154 Density= 0.106841 ETOT(band)= -0.116423 trlgG= -0.145655 logG= -0.028343 TDE= -0.170183 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.024059 logG= -0.029444 Density= 0.107975 ETOT(band)= -0.116558 trlgG= -0.147199 logG= -0.029444 TDE= -0.171187 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023872 logG= -0.029267 Density= 0.107946 ETOT(band)= -0.116452 trlgG= -0.146904 logG= -0.029267 TDE= -0.171054 logGD-logG0= -0.009985 tlogG= -0.048268 logG= -0.058253 Density= 0.214501 ETOT(band)= -0.233398 trlgG= -0.293808 logG= -0.058253 TDE= -0.341701 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009281 tlogG= -0.047668 logG= -0.056950 Density= 0.213071 ETOT(band)= -0.233244 trlgG= -0.292285 logG= -0.056950 TDE= -0.340773 logGD-logG0= -0.009679 tlogG= -0.045789 logG= -0.055468 Density= 0.215124 ETOT(band)= -0.231571 trlgG= -0.289431 logG= -0.055468 TDE= -0.340417 logGD-logG0= -0.009956 tlogG= -0.045614 logG= -0.055570 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214487 ETOT(band)= -0.231902 trlgG= -0.289588 logG= -0.055570 TDE= -0.340157 logGD-logG0= -0.005431 tlogG= -0.023582 logG= -0.029013 Density= 0.107835 ETOT(band)= -0.116351 trlgG= -0.146485 logG= -0.029013 TDE= -0.170835 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009851 tlogG= -0.047179 logG= -0.057030 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009626 tlogG= -0.047471 logG= -0.057097 Density= 0.214420 ETOT(band)= -0.232818 trlgG= -0.292359 logG= -0.057097 TDE= -0.341368 Density= 0.213891 ETOT(band)= -0.232971 trlgG= -0.292209 logG= -0.057030 TDE= -0.341023 logGD-logG0= -0.010504 tlogG= -0.048019 logG= -0.058523 logGD-logG0= -0.010705 tlogG= -0.047779 logG= -0.058484 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215156 ETOT(band)= -0.233252 trlgG= -0.293718 logG= -0.058523 TDE= -0.341665 logGD-logG0= -0.009699 tlogG= -0.047983 logG= -0.057681 Density= 0.213406 ETOT(band)= -0.233465 trlgG= -0.292908 logG= -0.057681 TDE= -0.340830 logGD-logG0= -0.010660 tlogG= -0.048116 logG= -0.058776 Density= 0.214849 ETOT(band)= -0.233335 trlgG= -0.293614 logG= -0.058484 TDE= -0.341448 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215152 ETOT(band)= -0.233398 trlgG= -0.294134 logG= -0.058776 TDE= -0.341826 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009976 tlogG= -0.047209 logG= -0.057186 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.047819 logG= -0.058386 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214751 ETOT(band)= -0.233325 trlgG= -0.293441 logG= -0.058386 TDE= -0.341324 Density= 0.213904 ETOT(band)= -0.233016 trlgG= -0.292003 logG= -0.057186 TDE= -0.340668 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010130 tlogG= -0.047921 logG= -0.058051 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214082 ETOT(band)= -0.233423 trlgG= -0.293480 logG= -0.058051 TDE= -0.341367 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010737 tlogG= -0.048054 logG= -0.058791 Density= 0.215188 ETOT(band)= -0.233389 trlgG= -0.294161 logG= -0.058791 TDE= -0.341856 logGD-logG0= -0.010839 tlogG= -0.047532 logG= -0.058371 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215766 ETOT(band)= -0.232866 trlgG= -0.293534 logG= -0.058371 TDE= -0.341935 logGD-logG0= -0.010768 tlogG= -0.047944 logG= -0.058712 Density= 0.215955 ETOT(band)= -0.232988 trlgG= -0.294103 logG= -0.058712 TDE= -0.342256 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001662 tlogG= -0.006998 logG= -0.008660 logGD-logG0= -0.010342 tlogG= -0.047710 logG= -0.058052 logGD-logG0= -0.010754 tlogG= -0.047472 logG= -0.058227 Density= 0.215542 ETOT(band)= -0.232898 trlgG= -0.293284 logG= -0.058227 TDE= -0.341719 Density= 0.036206 ETOT(band)= -0.038014 trlgG= -0.047163 logG= -0.008660 TDE= -0.056420 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010252 tlogG= -0.048058 logG= -0.058310 Density= 0.214064 ETOT(band)= -0.233410 trlgG= -0.293233 logG= -0.058052 TDE= -0.341111 logGD-logG0= -0.010796 tlogG= -0.046930 logG= -0.057726 Density= 0.215509 ETOT(band)= -0.232619 trlgG= -0.292485 logG= -0.057726 TDE= -0.341403 logGD-logG0= -0.010363 tlogG= -0.046454 logG= -0.056818 Density= 0.215309 ETOT(band)= -0.232219 trlgG= -0.291037 logG= -0.056818 TDE= -0.340765 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010561 tlogG= -0.047371 logG= -0.057932 Density= 0.214371 ETOT(band)= -0.233213 trlgG= -0.292711 logG= -0.057932 TDE= -0.340860 Density= 0.214629 ETOT(band)= -0.233349 trlgG= -0.293566 logG= -0.058310 TDE= -0.341465 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010058 tlogG= -0.045683 logG= -0.055741 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215254 ETOT(band)= -0.231651 trlgG= -0.289428 logG= -0.055741 TDE= -0.340205 logGD-logG0= -0.010846 tlogG= -0.048191 logG= -0.059038 Density= 0.215494 ETOT(band)= -0.233424 trlgG= -0.294607 logG= -0.059038 TDE= -0.342207 logGD-logG0= -0.010821 tlogG= -0.047892 logG= -0.058712 Density= 0.215830 ETOT(band)= -0.233056 trlgG= -0.294098 logG= -0.058712 TDE= -0.342189 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047192 logG= -0.057468 Density= 0.215239 ETOT(band)= -0.232620 trlgG= -0.292049 logG= -0.057468 TDE= -0.341093 logGD-logG0= -0.009978 tlogG= -0.047252 logG= -0.057230 Density= 0.214584 ETOT(band)= -0.232785 trlgG= -0.292140 logG= -0.057230 TDE= -0.341097 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.021892 logG= -0.026992 Density= 0.108359 ETOT(band)= -0.114900 trlgG= -0.143239 logG= -0.026992 TDE= -0.169869 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005015 tlogG= -0.021583 logG= -0.026598 Density= 0.108545 ETOT(band)= -0.114539 trlgG= -0.142567 logG= -0.026598 TDE= -0.169682 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010232 tlogG= -0.043425 logG= -0.053657 Density= 0.216360 ETOT(band)= -0.229772 trlgG= -0.285947 logG= -0.053657 TDE= -0.339356 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004574 tlogG= -0.023601 logG= -0.028176 Density= 0.212773 ETOT(band)= -0.233192 trlgG= -0.292125 logG= -0.028176 TDE= -0.170305 logGD-logG0= -0.004518 tlogG= -0.023754 logG= -0.028272 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213236 ETOT(band)= -0.232798 trlgG= -0.291160 logG= -0.028272 TDE= -0.170389 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.011454 logG= -0.013839 Density= 0.053763 ETOT(band)= -0.057886 trlgG= -0.072356 logG= -0.013839 TDE= -0.085121 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004629 tlogG= -0.024065 logG= -0.028694 Density= 0.106461 ETOT(band)= -0.116752 trlgG= -0.146491 logG= -0.028694 TDE= -0.170479 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022928 logG= -0.027981 Density= 0.214912 ETOT(band)= -0.231662 trlgG= -0.289110 logG= -0.027981 TDE= -0.170040 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.023923 logG= -0.028904 Density= 0.106819 ETOT(band)= -0.116725 trlgG= -0.146595 logG= -0.028904 TDE= -0.170551 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.023701 logG= -0.029084 Density= 0.107282 ETOT(band)= -0.116629 trlgG= -0.146531 logG= -0.029084 TDE= -0.170535 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.023225 logG= -0.028438 Density= 0.108223 ETOT(band)= -0.115858 trlgG= -0.145590 logG= -0.028438 TDE= -0.170707 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005312 logG= -0.006545 Density= 0.081577 ETOT(band)= -0.085439 trlgG= -0.106027 logG= -0.006545 TDE= -0.042365 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004845 tlogG= -0.022864 logG= -0.027709 Density= 0.107355 ETOT(band)= -0.115862 trlgG= -0.144758 logG= -0.027709 TDE= -0.170174 logGD-logG0= -0.005143 tlogG= -0.022747 logG= -0.027890 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108281 ETOT(band)= -0.115528 trlgG= -0.144725 logG= -0.027890 TDE= -0.170418 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002518 tlogG= -0.010849 logG= -0.013367 Density= 0.054084 ETOT(band)= -0.057414 trlgG= -0.071405 logG= -0.013367 TDE= -0.084801 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.022191 logG= -0.027287 Density= 0.108388 ETOT(band)= -0.115073 trlgG= -0.143727 logG= -0.027287 TDE= -0.170075 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001605 tlogG= -0.007596 logG= -0.009201 Density= 0.071542 ETOT(band)= -0.077095 trlgG= -0.095964 logG= -0.009201 TDE= -0.056607 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005100 tlogG= -0.021367 logG= -0.026467 Density= 0.217084 ETOT(band)= -0.228503 trlgG= -0.283774 logG= -0.026467 TDE= -0.169506 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005020 tlogG= -0.022496 logG= -0.027517 Density= 0.215139 ETOT(band)= -0.230924 trlgG= -0.287489 logG= -0.027517 TDE= -0.169786 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005059 tlogG= -0.021223 logG= -0.026282 Density= 0.216428 ETOT(band)= -0.229344 trlgG= -0.285008 logG= -0.026282 TDE= -0.169413 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004749 tlogG= -0.023382 logG= -0.028132 Density= 0.214299 ETOT(band)= -0.232619 trlgG= -0.291747 logG= -0.028132 TDE= -0.170514 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.023912 logG= -0.028903 Density= 0.213911 ETOT(band)= -0.233245 trlgG= -0.292388 logG= -0.028903 TDE= -0.170393 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.005751 logG= -0.007036 Density= 0.080671 ETOT(band)= -0.087124 trlgG= -0.109398 logG= -0.007036 TDE= -0.042648 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.023224 logG= -0.028473 Density= 0.214973 ETOT(band)= -0.232221 trlgG= -0.290624 logG= -0.028473 TDE= -0.170210 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001301 tlogG= -0.005858 logG= -0.007159 Density= 0.080680 ETOT(band)= -0.087341 trlgG= -0.109953 logG= -0.007159 TDE= -0.042712 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005518 tlogG= -0.023383 logG= -0.028901 logGD-logG0= -0.004835 tlogG= -0.024017 logG= -0.028852 Density= 0.214229 ETOT(band)= -0.233332 trlgG= -0.293539 logG= -0.028852 TDE= -0.170833 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215197 ETOT(band)= -0.232631 trlgG= -0.292123 logG= -0.028901 TDE= -0.170552 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005941 logG= -0.007247 Density= 0.080857 ETOT(band)= -0.087382 trlgG= -0.110147 logG= -0.007247 TDE= -0.042766 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023254 logG= -0.028133 Density= 0.213633 ETOT(band)= -0.232840 trlgG= -0.291611 logG= -0.028133 TDE= -0.170347 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.024003 logG= -0.029345 Density= 0.215750 ETOT(band)= -0.233153 trlgG= -0.294248 logG= -0.029345 TDE= -0.171171 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.023802 logG= -0.029175 Density= 0.215410 ETOT(band)= -0.233048 trlgG= -0.293607 logG= -0.029175 TDE= -0.171018 logGD-logG0= -0.001461 tlogG= -0.007969 logG= -0.009431 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070919 ETOT(band)= -0.077682 trlgG= -0.097247 logG= -0.009431 TDE= -0.056831 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023509 logG= -0.028851 Density= 0.215301 ETOT(band)= -0.232607 trlgG= -0.292338 logG= -0.028851 TDE= -0.170763 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023864 logG= -0.029032 Density= 0.215567 ETOT(band)= -0.233048 trlgG= -0.293692 logG= -0.029032 TDE= -0.170702 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.024003 logG= -0.029308 Density= 0.216401 ETOT(band)= -0.232658 trlgG= -0.293803 logG= -0.029308 TDE= -0.171190 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005985 logG= -0.007291 Density= 0.081080 ETOT(band)= -0.087293 trlgG= -0.110209 logG= -0.007291 TDE= -0.042796 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004382 tlogG= -0.024145 logG= -0.028527 Density= 0.212331 ETOT(band)= -0.233560 trlgG= -0.293060 logG= -0.028527 TDE= -0.170585 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.024121 logG= -0.029554 logGD-logG0= -0.004868 tlogG= -0.024017 logG= -0.028885 Density= 0.215781 ETOT(band)= -0.233308 trlgG= -0.294661 logG= -0.029554 TDE= -0.171198 Density= 0.321718 ETOT(band)= -0.349989 trlgG= -0.440468 logG= -0.028885 TDE= -0.170830 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.024176 logG= -0.029315 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322567 ETOT(band)= -0.350131 trlgG= -0.441134 logG= -0.029315 TDE= -0.170839 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023960 logG= -0.029259 Density= 0.216434 ETOT(band)= -0.232555 trlgG= -0.293573 logG= -0.029259 TDE= -0.171163 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.047793 logG= -0.058432 Density= 0.324426 ETOT(band)= -0.348886 trlgG= -0.440196 logG= -0.058432 TDE= -0.342220 logGD-logG0= -0.010883 tlogG= -0.048074 logG= -0.058958 Density= 0.323351 ETOT(band)= -0.349919 trlgG= -0.441485 logG= -0.058958 TDE= -0.342199 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.023766 logG= -0.029083 Density= 0.216331 ETOT(band)= -0.232353 trlgG= -0.292865 logG= -0.029083 TDE= -0.171023 logGD-logG0= -0.004781 tlogG= -0.023380 logG= -0.028161 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321799 ETOT(band)= -0.348940 trlgG= -0.437891 logG= -0.028161 TDE= -0.170507 logGD-logG0= -0.001215 tlogG= -0.005176 logG= -0.006391 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062573 ETOT(band)= -0.067326 trlgG= -0.084042 logG= -0.006391 TDE= -0.042264 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010362 tlogG= -0.045677 logG= -0.056040 Density= 0.324165 ETOT(band)= -0.346896 trlgG= -0.434137 logG= -0.056040 TDE= -0.340660 logGD-logG0= -0.010680 tlogG= -0.047244 logG= -0.057925 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.024170 logG= -0.029283 Density= 0.324222 ETOT(band)= -0.348510 trlgG= -0.438841 logG= -0.057925 TDE= -0.341830 Density= 0.214832 ETOT(band)= -0.233434 trlgG= -0.293939 logG= -0.029283 TDE= -0.170842 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004683 tlogG= -0.023910 logG= -0.028593 Density= 0.213422 ETOT(band)= -0.233080 trlgG= -0.291906 logG= -0.028593 TDE= -0.170399 logGD-logG0= -0.005481 tlogG= -0.023898 logG= -0.029378 Density= 0.215712 ETOT(band)= -0.233056 trlgG= -0.293977 logG= -0.029378 TDE= -0.171023 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010665 tlogG= -0.046434 logG= -0.057098 Density= 0.324103 ETOT(band)= -0.347845 trlgG= -0.436752 logG= -0.057098 TDE= -0.341277 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001619 tlogG= -0.006881 logG= -0.008500 Density= 0.040855 ETOT(band)= -0.042551 trlgG= -0.052709 logG= -0.008500 TDE= -0.056335 logGD-logG0= -0.005123 tlogG= -0.023266 logG= -0.028389 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.321860 ETOT(band)= -0.349451 trlgG= -0.438731 logG= -0.028389 TDE= -0.170452 logGD-logG0= -0.005340 tlogG= -0.024105 logG= -0.029445 Density= 0.323170 ETOT(band)= -0.350120 trlgG= -0.441779 logG= -0.029445 TDE= -0.171010 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009875 tlogG= -0.046636 logG= -0.056511 Density= 0.322853 ETOT(band)= -0.347925 trlgG= -0.435565 logG= -0.056511 TDE= -0.340830 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009118 tlogG= -0.048131 logG= -0.057249 Density= 0.425830 ETOT(band)= -0.466748 trlgG= -0.585254 logG= -0.057249 TDE= -0.341005 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005527 tlogG= -0.023684 logG= -0.029211 logGD-logG0= -0.005466 tlogG= -0.023957 logG= -0.029423 Density= 0.215484 ETOT(band)= -0.232900 trlgG= -0.293272 logG= -0.029211 TDE= -0.170845 Density= 0.323753 ETOT(band)= -0.349608 trlgG= -0.441252 logG= -0.029423 TDE= -0.171071 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.048175 logG= -0.058508 Density= 0.429488 ETOT(band)= -0.466795 trlgG= -0.587433 logG= -0.058508 TDE= -0.341526 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009616 tlogG= -0.046753 logG= -0.056369 Density= 0.428154 ETOT(band)= -0.464605 trlgG= -0.580646 logG= -0.056369 TDE= -0.340423 logGD-logG0= -0.010670 tlogG= -0.048110 logG= -0.058780 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430307 ETOT(band)= -0.466654 trlgG= -0.587855 logG= -0.058780 TDE= -0.341825 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.047986 logG= -0.058485 Density= 0.429395 ETOT(band)= -0.466753 trlgG= -0.587052 logG= -0.058485 TDE= -0.341343 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009696 tlogG= -0.046631 logG= -0.056327 logGD-logG0= -0.005017 tlogG= -0.021319 logG= -0.026336 Density= 0.162690 ETOT(band)= -0.172480 trlgG= -0.215529 logG= -0.026336 TDE= -0.169495 logGD-logG0= -0.009831 tlogG= -0.047861 logG= -0.057691 Density= 0.428338 ETOT(band)= -0.465336 trlgG= -0.583263 logG= -0.056327 TDE= -0.340846 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009800 tlogG= -0.047704 logG= -0.057504 logGD-logG0= -0.010421 tlogG= -0.047712 logG= -0.058133 Density= 0.428512 ETOT(band)= -0.466635 trlgG= -0.585989 logG= -0.058133 TDE= -0.341113 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428262 ETOT(band)= -0.466642 trlgG= -0.586657 logG= -0.057691 TDE= -0.341472 Density= 0.426936 ETOT(band)= -0.466812 trlgG= -0.585742 logG= -0.057504 TDE= -0.340996 logGD-logG0= -0.010463 tlogG= -0.048255 logG= -0.058719 logGD-logG0= -0.010985 tlogG= -0.047694 logG= -0.058679 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430202 ETOT(band)= -0.466821 trlgG= -0.588178 logG= -0.058719 TDE= -0.341698 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010836 tlogG= -0.047774 logG= -0.058610 Density= 0.430901 ETOT(band)= -0.466098 trlgG= -0.587170 logG= -0.058610 TDE= -0.341846 Density= 0.431231 ETOT(band)= -0.466054 trlgG= -0.587544 logG= -0.058679 TDE= -0.341954 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047821 logG= -0.057577 logGD-logG0= -0.001264 tlogG= -0.005623 logG= -0.006887 Density= 0.427434 ETOT(band)= -0.466377 trlgG= -0.584619 logG= -0.057577 TDE= -0.340705 Density= 0.080872 ETOT(band)= -0.086700 trlgG= -0.108401 logG= -0.006887 TDE= -0.042572 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010912 tlogG= -0.048017 logG= -0.058929 logGD-logG0= -0.010896 tlogG= -0.047311 logG= -0.058207 Density= 0.431461 ETOT(band)= -0.466342 trlgG= -0.588540 logG= -0.058929 TDE= -0.342218 Density= 0.430646 ETOT(band)= -0.465666 trlgG= -0.585695 logG= -0.058207 TDE= -0.341463 logGD-logG0= -0.010005 tlogG= -0.047882 logG= -0.057888 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429331 ETOT(band)= -0.466451 trlgG= -0.586677 logG= -0.057888 TDE= -0.341469 logGD-logG0= -0.010121 tlogG= -0.046428 logG= -0.056549 Density= 0.429752 ETOT(band)= -0.464084 trlgG= -0.580379 logG= -0.056549 TDE= -0.340546 logGD-logG0= -0.010185 tlogG= -0.047584 logG= -0.057768 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428826 ETOT(band)= -0.465986 trlgG= -0.585052 logG= -0.057768 TDE= -0.341162 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.046966 logG= -0.057466 Density= 0.430075 ETOT(band)= -0.465016 trlgG= -0.583027 logG= -0.057466 TDE= -0.340801 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010425 tlogG= -0.047606 logG= -0.058031 Density= 0.430189 ETOT(band)= -0.465669 trlgG= -0.584955 logG= -0.058031 TDE= -0.341243 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.023968 logG= -0.029141 Density= 0.214444 ETOT(band)= -0.233349 trlgG= -0.293310 logG= -0.029141 TDE= -0.170667 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.022343 logG= -0.027281 Density= 0.323025 ETOT(band)= -0.346894 trlgG= -0.433175 logG= -0.027281 TDE= -0.169857 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005320 tlogG= -0.023421 logG= -0.028741 Density= 0.216260 ETOT(band)= -0.231968 trlgG= -0.291655 logG= -0.028741 TDE= -0.170786 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.044662 logG= -0.054826 Density= 0.324411 ETOT(band)= -0.345628 trlgG= -0.431142 logG= -0.054826 TDE= -0.339990 logGD-logG0= -0.004929 tlogG= -0.023845 logG= -0.028774 Density= 0.213698 ETOT(band)= -0.233377 trlgG= -0.293130 logG= -0.028774 TDE= -0.170649 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004656 tlogG= -0.023993 logG= -0.028649 Density= 0.212954 ETOT(band)= -0.233476 trlgG= -0.292889 logG= -0.028649 TDE= -0.170447 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.022304 logG= -0.027354 logGD-logG0= -0.001730 tlogG= -0.007122 logG= -0.008851 Density= 0.072254 ETOT(band)= -0.076251 trlgG= -0.094669 logG= -0.008851 TDE= -0.056493 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214390 ETOT(band)= -0.231687 trlgG= -0.288853 logG= -0.027354 TDE= -0.169773 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005288 tlogG= -0.022977 logG= -0.028265 Density= 0.216296 ETOT(band)= -0.231391 trlgG= -0.290041 logG= -0.028265 TDE= -0.170502 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.021895 logG= -0.027082 Density= 0.216700 ETOT(band)= -0.229599 trlgG= -0.285963 logG= -0.027082 TDE= -0.169835 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005217 tlogG= -0.022458 logG= -0.027676 Density= 0.216441 ETOT(band)= -0.230580 trlgG= -0.288104 logG= -0.027676 TDE= -0.170172 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005473 logG= -0.006724 Density= 0.081228 ETOT(band)= -0.086096 trlgG= -0.107173 logG= -0.006724 TDE= -0.042476 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010020 tlogG= -0.044654 logG= -0.054675 Density= 0.431795 ETOT(band)= -0.460663 trlgG= -0.573646 logG= -0.054675 TDE= -0.339633 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004898 tlogG= -0.022341 logG= -0.027239 Density= 0.215137 ETOT(band)= -0.231221 trlgG= -0.288524 logG= -0.027239 TDE= -0.169862 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -323.803749324970 eV TrLogG= -406.529474710955 eV Ratio to renormalize= 0.999590220629 rho-rho_expected= 0.009018841905 nargs= 1 argi=dmft2.def 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964128198528487 0.939198238199909 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004628 tlogG= -0.024102 logG= -0.028730 Density= 0.106482 ETOT(band)= -0.116842 trlgG= -0.146619 logG= -0.028730 TDE= -0.170581 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023275 logG= -0.028471 logGD-logG0= -0.005128 tlogG= -0.022796 logG= -0.027924 Density= 0.108308 ETOT(band)= -0.115611 trlgG= -0.144854 logG= -0.027924 TDE= -0.170526 Density= 0.108251 ETOT(band)= -0.115941 trlgG= -0.145719 logG= -0.028471 TDE= -0.170816 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.023726 logG= -0.028491 Density= 0.106689 ETOT(band)= -0.116653 trlgG= -0.146196 logG= -0.028491 TDE= -0.170500 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.022908 logG= -0.027743 Density= 0.107378 ETOT(band)= -0.115949 trlgG= -0.144887 logG= -0.027743 TDE= -0.170280 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.023262 logG= -0.028652 Density= 0.107752 ETOT(band)= -0.116270 trlgG= -0.145985 logG= -0.028652 TDE= -0.170654 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002514 tlogG= -0.010870 logG= -0.013384 Density= 0.054096 ETOT(band)= -0.057457 trlgG= -0.071469 logG= -0.013384 TDE= -0.084855 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005082 tlogG= -0.022239 logG= -0.027320 Density= 0.108414 ETOT(band)= -0.115157 trlgG= -0.143854 logG= -0.027320 TDE= -0.170182 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000200 tlogG= -0.000855 logG= -0.001055 Density= 0.004545 ETOT(band)= -0.004723 trlgG= -0.005847 logG= -0.001055 TDE= -0.007041 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002372 tlogG= -0.011911 logG= -0.014283 Density= 0.053601 ETOT(band)= -0.058255 trlgG= -0.073180 logG= -0.014283 TDE= -0.085422 logGD-logG0= -0.002649 tlogG= -0.012062 logG= -0.014710 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053796 ETOT(band)= -0.058394 trlgG= -0.073598 logG= -0.014710 TDE= -0.085509 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002380 tlogG= -0.011476 logG= -0.013856 Density= 0.053775 ETOT(band)= -0.057929 trlgG= -0.072420 logG= -0.013856 TDE= -0.085174 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002467 tlogG= -0.012110 logG= -0.014576 Density= 0.053622 ETOT(band)= -0.058400 trlgG= -0.073543 logG= -0.014576 TDE= -0.085502 logGD-logG0= -0.001433 tlogG= -0.008061 logG= -0.009495 Density= 0.035347 ETOT(band)= -0.038969 trlgG= -0.048907 logG= -0.009495 TDE= -0.056904 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.012012 logG= -0.014623 Density= 0.054162 ETOT(band)= -0.058168 trlgG= -0.073475 logG= -0.014623 TDE= -0.085654 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004407 tlogG= -0.024103 logG= -0.028510 Density= 0.106216 ETOT(band)= -0.116846 trlgG= -0.146599 logG= -0.028510 TDE= -0.170650 logGD-logG0= -0.005370 tlogG= -0.024133 logG= -0.029503 Density= 0.107707 ETOT(band)= -0.116792 trlgG= -0.147345 logG= -0.029503 TDE= -0.171141 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024006 logG= -0.029248 Density= 0.108279 ETOT(band)= -0.116358 trlgG= -0.146953 logG= -0.029248 TDE= -0.171287 logGD-logG0= -0.005247 tlogG= -0.023488 logG= -0.028735 Density= 0.108187 ETOT(band)= -0.116117 trlgG= -0.146136 logG= -0.028735 TDE= -0.170937 logGD-logG0= -0.004923 tlogG= -0.023746 logG= -0.028669 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107452 ETOT(band)= -0.116438 trlgG= -0.146235 logG= -0.028669 TDE= -0.170738 logGD-logG0= -0.005202 tlogG= -0.023043 logG= -0.028244 logGD-logG0= -0.004434 tlogG= -0.024027 logG= -0.028461 Density= 0.106268 ETOT(band)= -0.116804 trlgG= -0.146487 logG= -0.028461 TDE= -0.170613 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108195 ETOT(band)= -0.115845 trlgG= -0.145362 logG= -0.028244 TDE= -0.170657 logGD-logG0= -0.005254 tlogG= -0.023820 logG= -0.029074 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108230 ETOT(band)= -0.116282 trlgG= -0.146673 logG= -0.029074 TDE= -0.171157 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001516 tlogG= -0.007828 logG= -0.009344 logGD-logG0= -0.004958 tlogG= -0.022909 logG= -0.027868 Density= 0.035524 ETOT(band)= -0.038822 trlgG= -0.048546 logG= -0.009344 TDE= -0.056781 logGD-logG0= -0.005132 tlogG= -0.022520 logG= -0.027652 Density= 0.107819 ETOT(band)= -0.115816 trlgG= -0.144773 logG= -0.027868 TDE= -0.170259 Density= 0.108265 ETOT(band)= -0.115472 trlgG= -0.144417 logG= -0.027652 TDE= -0.170340 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002680 tlogG= -0.012014 logG= -0.014694 Density= 0.054011 ETOT(band)= -0.058284 trlgG= -0.073590 logG= -0.014694 TDE= -0.085623 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023707 logG= -0.028787 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107062 ETOT(band)= -0.116636 trlgG= -0.146112 logG= -0.028787 TDE= -0.170304 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005401 tlogG= -0.023967 logG= -0.029368 Density= 0.107814 ETOT(band)= -0.116662 trlgG= -0.147134 logG= -0.029368 TDE= -0.171118 logGD-logG0= -0.004714 tlogG= -0.023259 logG= -0.027972 Density= 0.106829 ETOT(band)= -0.116319 trlgG= -0.145292 logG= -0.027972 TDE= -0.170184 logGD-logG0= -0.005229 tlogG= -0.023928 logG= -0.029157 Density= 0.108299 ETOT(band)= -0.116294 trlgG= -0.146805 logG= -0.029157 TDE= -0.171240 logGD-logG0= -0.005378 tlogG= -0.023742 logG= -0.029119 Density= 0.107307 ETOT(band)= -0.116715 trlgG= -0.146666 logG= -0.029119 TDE= -0.170648 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005392 tlogG= -0.024139 logG= -0.029531 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005424 tlogG= -0.024185 logG= -0.029608 Density= 0.107871 ETOT(band)= -0.116792 trlgG= -0.147538 logG= -0.029608 TDE= -0.171310 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107946 ETOT(band)= -0.116707 trlgG= -0.147417 logG= -0.029531 TDE= -0.171303 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.024151 logG= -0.029236 Density= 0.107450 ETOT(band)= -0.116750 trlgG= -0.146977 logG= -0.029236 TDE= -0.170913 logGD-logG0= -0.005230 tlogG= -0.023663 logG= -0.028892 Density= 0.108256 ETOT(band)= -0.116167 trlgG= -0.146383 logG= -0.028892 TDE= -0.171061 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004801 tlogG= -0.023043 logG= -0.027845 Density= 0.106963 ETOT(band)= -0.116191 trlgG= -0.145027 logG= -0.027845 TDE= -0.170113 logGD-logG0= -0.005322 tlogG= -0.024025 logG= -0.029348 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004821 tlogG= -0.023557 logG= -0.028379 Density= 0.106863 ETOT(band)= -0.116511 trlgG= -0.145781 logG= -0.028379 TDE= -0.170284 Density= 0.107514 ETOT(band)= -0.116773 trlgG= -0.147067 logG= -0.029348 TDE= -0.170923 logGD-logG0= -0.004800 tlogG= -0.023741 logG= -0.028541 logGD-logG0= -0.005107 tlogG= -0.022467 logG= -0.027574 Density= 0.107711 ETOT(band)= -0.115684 trlgG= -0.144280 logG= -0.027574 TDE= -0.170007 logGD-logG0= -0.005202 tlogG= -0.022937 logG= -0.028139 Density= 0.107690 ETOT(band)= -0.116018 trlgG= -0.145174 logG= -0.028139 TDE= -0.170325 Density= 0.107058 ETOT(band)= -0.116547 trlgG= -0.146312 logG= -0.028541 TDE= -0.170748 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004973 tlogG= -0.024124 logG= -0.029097 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.023957 logG= -0.028940 Density= 0.106843 ETOT(band)= -0.116813 trlgG= -0.146727 logG= -0.028940 TDE= -0.170658 Density= 0.107134 ETOT(band)= -0.116803 trlgG= -0.146991 logG= -0.029097 TDE= -0.170910 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.024111 logG= -0.029478 Density= 0.108004 ETOT(band)= -0.116642 trlgG= -0.147331 logG= -0.029478 TDE= -0.171298 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023924 logG= -0.029301 Density= 0.107974 ETOT(band)= -0.116535 trlgG= -0.147035 logG= -0.029301 TDE= -0.171165 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002453 tlogG= -0.010459 logG= -0.012912 logGD-logG0= -0.009969 tlogG= -0.048356 logG= -0.058324 Density= 0.214552 ETOT(band)= -0.233571 trlgG= -0.294067 logG= -0.058324 TDE= -0.341913 Density= 0.054403 ETOT(band)= -0.056947 trlgG= -0.070633 logG= -0.012912 TDE= -0.084642 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009833 tlogG= -0.047268 logG= -0.057101 logGD-logG0= -0.009938 tlogG= -0.045702 logG= -0.055640 Density= 0.213937 ETOT(band)= -0.233146 trlgG= -0.292472 logG= -0.057101 TDE= -0.341237 logGD-logG0= -0.005413 tlogG= -0.023634 logG= -0.029047 Density= 0.107863 ETOT(band)= -0.116436 trlgG= -0.146617 logG= -0.029047 TDE= -0.170946 Density= 0.214533 ETOT(band)= -0.232075 trlgG= -0.289847 logG= -0.055640 TDE= -0.340369 logGD-logG0= -0.009662 tlogG= -0.045875 logG= -0.055537 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215171 ETOT(band)= -0.231743 trlgG= -0.289688 logG= -0.055537 TDE= -0.340628 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010113 tlogG= -0.048010 logG= -0.058123 logGD-logG0= -0.009701 tlogG= -0.048053 logG= -0.057754 logGD-logG0= -0.009608 tlogG= -0.047559 logG= -0.057167 Density= 0.214468 ETOT(band)= -0.232992 trlgG= -0.292618 logG= -0.057167 TDE= -0.341580 Density= 0.213451 ETOT(band)= -0.233642 trlgG= -0.293172 logG= -0.057754 TDE= -0.341044 logGD-logG0= -0.010645 tlogG= -0.048201 logG= -0.058846 Density= 0.215206 ETOT(band)= -0.233568 trlgG= -0.294402 logG= -0.058846 TDE= -0.342050 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009978 tlogG= -0.047278 logG= -0.057257 Density= 0.214130 ETOT(band)= -0.233598 trlgG= -0.293741 logG= -0.058123 TDE= -0.341581 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213950 ETOT(band)= -0.233190 trlgG= -0.292265 logG= -0.057257 TDE= -0.340881 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010689 tlogG= -0.047865 logG= -0.058554 Density= 0.214901 ETOT(band)= -0.233506 trlgG= -0.293883 logG= -0.058554 TDE= -0.341673 logGD-logG0= -0.010490 tlogG= -0.048103 logG= -0.058593 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215209 ETOT(band)= -0.233423 trlgG= -0.293986 logG= -0.058593 TDE= -0.341889 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001724 tlogG= -0.007322 logG= -0.009046 Density= 0.035871 ETOT(band)= -0.038482 trlgG= -0.047856 logG= -0.009046 TDE= -0.056560 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.047905 logG= -0.058457 Density= 0.214803 ETOT(band)= -0.233496 trlgG= -0.293711 logG= -0.058457 TDE= -0.341549 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010236 tlogG= -0.048145 logG= -0.058381 logGD-logG0= -0.010724 tlogG= -0.048138 logG= -0.058862 Density= 0.215242 ETOT(band)= -0.233560 trlgG= -0.294430 logG= -0.058862 TDE= -0.342081 Density= 0.214680 ETOT(band)= -0.233522 trlgG= -0.293823 logG= -0.058381 TDE= -0.341676 logGD-logG0= -0.001657 tlogG= -0.007013 logG= -0.008671 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036214 ETOT(band)= -0.038042 trlgG= -0.047205 logG= -0.008671 TDE= -0.056455 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010350 tlogG= -0.046537 logG= -0.056887 Density= 0.215360 ETOT(band)= -0.232389 trlgG= -0.291302 logG= -0.056887 TDE= -0.340986 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010743 tlogG= -0.047553 logG= -0.058296 Density= 0.215596 ETOT(band)= -0.233067 trlgG= -0.293549 logG= -0.058296 TDE= -0.341941 logGD-logG0= -0.010563 tlogG= -0.047439 logG= -0.058003 logGD-logG0= -0.010042 tlogG= -0.045768 logG= -0.055811 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215302 ETOT(band)= -0.231822 trlgG= -0.289684 logG= -0.055811 TDE= -0.340415 Density= 0.214420 ETOT(band)= -0.233386 trlgG= -0.292971 logG= -0.058003 TDE= -0.341075 logGD-logG0= -0.010785 tlogG= -0.047996 logG= -0.058781 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010732 tlogG= -0.048048 logG= -0.058780 logGD-logG0= -0.010340 tlogG= -0.047783 logG= -0.058123 Density= 0.214113 ETOT(band)= -0.233584 trlgG= -0.293494 logG= -0.058123 TDE= -0.341324 Density= 0.215887 ETOT(band)= -0.233224 trlgG= -0.294361 logG= -0.058781 TDE= -0.342412 logGD-logG0= -0.010804 tlogG= -0.047636 logG= -0.058440 Density= 0.215822 ETOT(band)= -0.233034 trlgG= -0.293797 logG= -0.058440 TDE= -0.342157 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216012 ETOT(band)= -0.233156 trlgG= -0.294365 logG= -0.058780 TDE= -0.342478 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010834 tlogG= -0.048273 logG= -0.059108 logGD-logG0= -0.009280 tlogG= -0.047742 logG= -0.057022 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213114 ETOT(band)= -0.233422 trlgG= -0.292540 logG= -0.057022 TDE= -0.340977 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215550 ETOT(band)= -0.233594 trlgG= -0.294874 logG= -0.059108 TDE= -0.342432 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010785 tlogG= -0.047011 logG= -0.057796 Density= 0.215563 ETOT(band)= -0.232789 trlgG= -0.292750 logG= -0.057796 TDE= -0.341625 logGD-logG0= -0.009962 tlogG= -0.047339 logG= -0.057301 Density= 0.214633 ETOT(band)= -0.232958 trlgG= -0.292398 logG= -0.057301 TDE= -0.341308 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.047276 logG= -0.057538 Density= 0.215291 ETOT(band)= -0.232790 trlgG= -0.292315 logG= -0.057538 TDE= -0.341315 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.021939 logG= -0.027025 Density= 0.108384 ETOT(band)= -0.114984 trlgG= -0.143367 logG= -0.027025 TDE= -0.169976 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004922 tlogG= -0.021055 logG= -0.025977 Density= 0.108762 ETOT(band)= -0.114040 trlgG= -0.141543 logG= -0.025977 TDE= -0.169386 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005168 tlogG= -0.021876 logG= -0.027043 Density= 0.107864 ETOT(band)= -0.115259 trlgG= -0.143413 logG= -0.027043 TDE= -0.169745 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005110 tlogG= -0.021753 logG= -0.026862 Density= 0.108003 ETOT(band)= -0.115070 trlgG= -0.143108 logG= -0.026862 TDE= -0.169691 logGD-logG0= -0.005001 tlogG= -0.021630 logG= -0.026631 Density= 0.108571 ETOT(band)= -0.114622 trlgG= -0.142693 logG= -0.026631 TDE= -0.169789 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010214 tlogG= -0.043509 logG= -0.053723 Density= 0.216410 ETOT(band)= -0.229940 trlgG= -0.286203 logG= -0.053723 TDE= -0.339570 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004656 tlogG= -0.024029 logG= -0.028685 Density= 0.212996 ETOT(band)= -0.233655 trlgG= -0.293145 logG= -0.028685 TDE= -0.170549 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023027 logG= -0.028300 Density= 0.216349 ETOT(band)= -0.231559 trlgG= -0.290300 logG= -0.028300 TDE= -0.170611 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.023299 logG= -0.028168 Density= 0.213677 ETOT(band)= -0.233017 trlgG= -0.291875 logG= -0.028168 TDE= -0.170454 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005515 tlogG= -0.023421 logG= -0.028936 Density= 0.215250 ETOT(band)= -0.232801 trlgG= -0.292389 logG= -0.028936 TDE= -0.170664 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023472 logG= -0.028775 Density= 0.216315 ETOT(band)= -0.232135 trlgG= -0.291915 logG= -0.028775 TDE= -0.170896 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005484 logG= -0.006733 Density= 0.081247 ETOT(band)= -0.086159 trlgG= -0.107269 logG= -0.006733 TDE= -0.042502 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005207 tlogG= -0.022502 logG= -0.027710 Density= 0.216492 ETOT(band)= -0.230748 trlgG= -0.288361 logG= -0.027710 TDE= -0.170280 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.022384 logG= -0.027273 Density= 0.215184 ETOT(band)= -0.231394 trlgG= -0.288780 logG= -0.027273 TDE= -0.169968 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001297 tlogG= -0.005870 logG= -0.007167 Density= 0.080699 ETOT(band)= -0.087405 trlgG= -0.110050 logG= -0.007167 TDE= -0.042739 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005763 logG= -0.007045 logGD-logG0= -0.001302 tlogG= -0.005953 logG= -0.007255 Density= 0.080689 ETOT(band)= -0.087189 trlgG= -0.109495 logG= -0.007045 TDE= -0.042675 Density= 0.080878 ETOT(band)= -0.087445 trlgG= -0.110246 logG= -0.007255 TDE= -0.042793 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004380 tlogG= -0.024183 logG= -0.028563 Density= 0.212371 ETOT(band)= -0.233741 trlgG= -0.293321 logG= -0.028563 TDE= -0.170689 logGD-logG0= -0.001260 tlogG= -0.005635 logG= -0.006896 Density= 0.080890 ETOT(band)= -0.086764 trlgG= -0.108497 logG= -0.006896 TDE= -0.042599 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024055 logG= -0.029379 Density= 0.215806 ETOT(band)= -0.233322 trlgG= -0.294512 logG= -0.029379 TDE= -0.171282 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001301 tlogG= -0.005998 logG= -0.007299 Density= 0.081101 ETOT(band)= -0.087355 trlgG= -0.110307 logG= -0.007299 TDE= -0.042823 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004572 tlogG= -0.023639 logG= -0.028212 Density= 0.212814 ETOT(band)= -0.233372 trlgG= -0.292383 logG= -0.028212 TDE= -0.170408 logGD-logG0= -0.001211 tlogG= -0.005188 logG= -0.006399 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062586 ETOT(band)= -0.067377 trlgG= -0.084117 logG= -0.006399 TDE= -0.042290 logGD-logG0= -0.004683 tlogG= -0.023947 logG= -0.028629 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004516 tlogG= -0.023792 logG= -0.028308 Density= 0.213278 ETOT(band)= -0.232976 trlgG= -0.291417 logG= -0.028308 TDE= -0.170493 Density= 0.213466 ETOT(band)= -0.233257 trlgG= -0.292159 logG= -0.028629 TDE= -0.170501 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001614 tlogG= -0.006896 logG= -0.008511 Density= 0.040865 ETOT(band)= -0.042582 trlgG= -0.052755 logG= -0.008511 TDE= -0.056370 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005336 tlogG= -0.023549 logG= -0.028885 Density= 0.215352 ETOT(band)= -0.232778 trlgG= -0.292598 logG= -0.028885 TDE= -0.170873 logGD-logG0= -0.005356 tlogG= -0.023853 logG= -0.029209 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215464 ETOT(band)= -0.233217 trlgG= -0.293865 logG= -0.029209 TDE= -0.171129 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.024054 logG= -0.029342 Density= 0.216459 ETOT(band)= -0.232824 trlgG= -0.294062 logG= -0.029342 TDE= -0.171300 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022963 logG= -0.028016 Density= 0.214959 ETOT(band)= -0.231834 trlgG= -0.289370 logG= -0.028016 TDE= -0.170145 logGD-logG0= -0.001602 tlogG= -0.007606 logG= -0.009208 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071555 ETOT(band)= -0.077156 trlgG= -0.096047 logG= -0.009208 TDE= -0.056642 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004859 tlogG= -0.024062 logG= -0.028921 Density= 0.321793 ETOT(band)= -0.350249 trlgG= -0.440856 logG= -0.028921 TDE= -0.170937 logGD-logG0= -0.005161 tlogG= -0.023906 logG= -0.029067 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215622 ETOT(band)= -0.233217 trlgG= -0.293957 logG= -0.029067 TDE= -0.170814 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001460 tlogG= -0.007982 logG= -0.009443 Density= 0.070932 ETOT(band)= -0.077742 trlgG= -0.097333 logG= -0.009443 TDE= -0.056866 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.024220 logG= -0.029351 Density= 0.322647 ETOT(band)= -0.350387 trlgG= -0.441530 logG= -0.029351 TDE= -0.170945 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004772 tlogG= -0.023424 logG= -0.028196 Density= 0.321870 ETOT(band)= -0.349201 trlgG= -0.438280 logG= -0.028196 TDE= -0.170613 logGD-logG0= -0.005281 tlogG= -0.024011 logG= -0.029292 Density= 0.216492 ETOT(band)= -0.232721 trlgG= -0.293832 logG= -0.029292 TDE= -0.171274 logGD-logG0= -0.004993 tlogG= -0.023946 logG= -0.028939 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213958 ETOT(band)= -0.233420 trlgG= -0.292653 logG= -0.028939 TDE= -0.170500 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005324 logG= -0.006553 logGD-logG0= -0.005415 tlogG= -0.024174 logG= -0.029589 logGD-logG0= -0.005164 tlogG= -0.024012 logG= -0.029177 Density= 0.215838 ETOT(band)= -0.233477 trlgG= -0.294926 logG= -0.029589 TDE= -0.171310 Density= 0.081597 ETOT(band)= -0.085501 trlgG= -0.106120 logG= -0.006553 TDE= -0.042392 Density= 0.214494 ETOT(band)= -0.233522 trlgG= -0.293575 logG= -0.029177 TDE= -0.170773 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010868 tlogG= -0.048160 logG= -0.059028 Density= 0.323435 ETOT(band)= -0.350173 trlgG= -0.441885 logG= -0.059028 TDE= -0.342423 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010646 tlogG= -0.047346 logG= -0.057992 Density= 0.324306 ETOT(band)= -0.348761 trlgG= -0.439232 logG= -0.057992 TDE= -0.342050 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023817 logG= -0.029117 logGD-logG0= -0.005106 tlogG= -0.024213 logG= -0.029319 Density= 0.216388 ETOT(band)= -0.232520 trlgG= -0.293124 logG= -0.029117 TDE= -0.171133 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214884 ETOT(band)= -0.233605 trlgG= -0.294202 logG= -0.029319 TDE= -0.170948 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009859 tlogG= -0.046722 logG= -0.056581 Density= 0.322927 ETOT(band)= -0.348181 trlgG= -0.435948 logG= -0.056581 TDE= -0.341040 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.024062 logG= -0.028888 Density= 0.214278 ETOT(band)= -0.233506 trlgG= -0.293799 logG= -0.028888 TDE= -0.170940 logGD-logG0= -0.010604 tlogG= -0.047896 logG= -0.058499 logGD-logG0= -0.010349 tlogG= -0.045759 logG= -0.056108 Density= 0.324242 ETOT(band)= -0.347149 trlgG= -0.434527 logG= -0.056108 TDE= -0.340878 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005463 tlogG= -0.023950 logG= -0.029413 Density= 0.324513 ETOT(band)= -0.349136 trlgG= -0.440586 logG= -0.058499 TDE= -0.342441 Density= 0.215768 ETOT(band)= -0.233224 trlgG= -0.294241 logG= -0.029413 TDE= -0.171135 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.046531 logG= -0.057167 Density= 0.324184 ETOT(band)= -0.348097 trlgG= -0.437143 logG= -0.057167 TDE= -0.341497 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.023890 logG= -0.028810 logGD-logG0= -0.005333 tlogG= -0.024147 logG= -0.029480 Density= 0.323253 ETOT(band)= -0.350375 trlgG= -0.442180 logG= -0.029480 TDE= -0.171123 Density= 0.213744 ETOT(band)= -0.233553 trlgG= -0.293394 logG= -0.028810 TDE= -0.170756 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.023307 logG= -0.028423 Density= 0.321935 ETOT(band)= -0.349710 trlgG= -0.439123 logG= -0.028423 TDE= -0.170562 logGD-logG0= -0.004740 tlogG= -0.023426 logG= -0.028167 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214345 ETOT(band)= -0.232794 trlgG= -0.292007 logG= -0.028167 TDE= -0.170620 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023258 logG= -0.028508 Density= 0.215023 ETOT(band)= -0.232393 trlgG= -0.290890 logG= -0.028508 TDE= -0.170321 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005448 tlogG= -0.024009 logG= -0.029457 Density= 0.323838 ETOT(band)= -0.349860 trlgG= -0.441647 logG= -0.029457 TDE= -0.171183 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005510 tlogG= -0.023736 logG= -0.029246 Density= 0.215538 ETOT(band)= -0.233069 trlgG= -0.293537 logG= -0.029246 TDE= -0.170957 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009614 tlogG= -0.046826 logG= -0.056440 logGD-logG0= -0.009678 tlogG= -0.046719 logG= -0.056397 Density= 0.428243 ETOT(band)= -0.464955 trlgG= -0.581169 logG= -0.056440 TDE= -0.340636 logGD-logG0= -0.009813 tlogG= -0.047950 logG= -0.057763 Density= 0.428431 ETOT(band)= -0.465686 trlgG= -0.583785 logG= -0.056397 TDE= -0.341058 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001725 tlogG= -0.007138 logG= -0.008862 Density= 0.072271 ETOT(band)= -0.076307 trlgG= -0.094753 logG= -0.008862 TDE= -0.056529 Density= 0.428358 ETOT(band)= -0.466990 trlgG= -0.587179 logG= -0.057763 TDE= -0.341686 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010317 tlogG= -0.048262 logG= -0.058579 Density= 0.429592 ETOT(band)= -0.467139 trlgG= -0.587960 logG= -0.058579 TDE= -0.341737 logGD-logG0= -0.010484 tlogG= -0.048072 logG= -0.058556 logGD-logG0= -0.005002 tlogG= -0.021367 logG= -0.026369 Density= 0.162731 ETOT(band)= -0.172604 trlgG= -0.215720 logG= -0.026369 TDE= -0.169601 logGD-logG0= -0.010657 tlogG= -0.048193 logG= -0.058850 Density= 0.430415 ETOT(band)= -0.466995 trlgG= -0.588392 logG= -0.058850 TDE= -0.342050 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429499 ETOT(band)= -0.467097 trlgG= -0.587584 logG= -0.058556 TDE= -0.341560 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.048340 logG= -0.058789 logGD-logG0= -0.005040 tlogG= -0.022348 logG= -0.027388 Density= 0.214434 ETOT(band)= -0.231861 trlgG= -0.289112 logG= -0.027388 TDE= -0.169879 logGD-logG0= -0.010824 tlogG= -0.047856 logG= -0.058680 Density= 0.431010 ETOT(band)= -0.466437 trlgG= -0.587701 logG= -0.058680 TDE= -0.342070 logGD-logG0= -0.010417 tlogG= -0.047788 logG= -0.058205 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428611 ETOT(band)= -0.466981 trlgG= -0.586510 logG= -0.058205 TDE= -0.341326 Density= 0.430310 ETOT(band)= -0.467162 trlgG= -0.588716 logG= -0.058789 TDE= -0.341923 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009802 tlogG= -0.047774 logG= -0.057576 Density= 0.427026 ETOT(band)= -0.467165 trlgG= -0.586271 logG= -0.057576 TDE= -0.341211 logGD-logG0= -0.005008 tlogG= -0.022528 logG= -0.027536 logGD-logG0= -0.009989 tlogG= -0.047969 logG= -0.057958 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429433 ETOT(band)= -0.466796 trlgG= -0.587191 logG= -0.057958 TDE= -0.341680 Density= 0.215184 ETOT(band)= -0.231103 trlgG= -0.287733 logG= -0.027536 TDE= -0.169892 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009757 tlogG= -0.047891 logG= -0.057649 logGD-logG0= -0.010877 tlogG= -0.048122 logG= -0.058999 Density= 0.427526 ETOT(band)= -0.466728 trlgG= -0.585142 logG= -0.057649 TDE= -0.340916 Density= 0.431574 ETOT(band)= -0.466679 trlgG= -0.589069 logG= -0.058999 TDE= -0.342442 logGD-logG0= -0.010951 tlogG= -0.047797 logG= -0.058748 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431342 ETOT(band)= -0.466392 trlgG= -0.588073 logG= -0.058748 TDE= -0.342177 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.047051 logG= -0.057536 Density= 0.430176 ETOT(band)= -0.465358 trlgG= -0.583560 logG= -0.057536 TDE= -0.341024 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.046515 logG= -0.056619 Density= 0.429847 ETOT(band)= -0.464428 trlgG= -0.580893 logG= -0.056619 TDE= -0.340758 logGD-logG0= -0.010168 tlogG= -0.047672 logG= -0.057840 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428924 ETOT(band)= -0.466333 trlgG= -0.585569 logG= -0.057840 TDE= -0.341374 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010883 tlogG= -0.047393 logG= -0.058277 Density= 0.430752 ETOT(band)= -0.466005 trlgG= -0.586226 logG= -0.058277 TDE= -0.341686 logGD-logG0= -0.009116 tlogG= -0.048206 logG= -0.057322 Density= 0.425915 ETOT(band)= -0.467106 trlgG= -0.585767 logG= -0.057322 TDE= -0.341209 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010411 tlogG= -0.047691 logG= -0.058101 Density= 0.430293 ETOT(band)= -0.466011 trlgG= -0.585489 logG= -0.058101 TDE= -0.341466 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022386 logG= -0.027315 Density= 0.323097 ETOT(band)= -0.347151 trlgG= -0.433558 logG= -0.027315 TDE= -0.169963 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010149 tlogG= -0.044745 logG= -0.054894 Density= 0.324486 ETOT(band)= -0.345881 trlgG= -0.431529 logG= -0.054894 TDE= -0.340206 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.021415 logG= -0.026500 Density= 0.217136 ETOT(band)= -0.228670 trlgG= -0.284027 logG= -0.026500 TDE= -0.169613 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005044 tlogG= -0.021270 logG= -0.026314 Density= 0.216478 ETOT(band)= -0.229513 trlgG= -0.285263 logG= -0.026314 TDE= -0.169520 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005172 tlogG= -0.021943 logG= -0.027115 Density= 0.216751 ETOT(band)= -0.229767 trlgG= -0.286218 logG= -0.027115 TDE= -0.169943 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010002 tlogG= -0.044741 logG= -0.054742 Density= 0.431893 ETOT(band)= -0.461002 trlgG= -0.574158 logG= -0.054742 TDE= -0.339844 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.042691848863 eV TrLogG= -406.927815923633 eV Ratio to renormalize= 0.999355137567 rho-rho_expected= 0.014196128073 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964139784283320 0.939239672870409 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001433 tlogG= -0.008063 logG= -0.009496 Density= 0.035348 ETOT(band)= -0.038974 trlgG= -0.048914 logG= -0.009496 TDE= -0.056910 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004406 tlogG= -0.024109 logG= -0.028515 Density= 0.106220 ETOT(band)= -0.116861 trlgG= -0.146620 logG= -0.028515 TDE= -0.170668 logGD-logG0= -0.004628 tlogG= -0.024108 logG= -0.028735 Density= 0.106486 ETOT(band)= -0.116857 trlgG= -0.146639 logG= -0.028735 TDE= -0.170598 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023748 logG= -0.029124 Density= 0.107312 ETOT(band)= -0.116729 trlgG= -0.146687 logG= -0.029124 TDE= -0.170666 logGD-logG0= -0.005081 tlogG= -0.023712 logG= -0.028792 Density= 0.107066 ETOT(band)= -0.116650 trlgG= -0.146133 logG= -0.028792 TDE= -0.170323 logGD-logG0= -0.004801 tlogG= -0.023049 logG= -0.027849 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106967 ETOT(band)= -0.116205 trlgG= -0.145048 logG= -0.027849 TDE= -0.170131 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.023748 logG= -0.028546 logGD-logG0= -0.004821 tlogG= -0.023563 logG= -0.028383 Density= 0.107062 ETOT(band)= -0.116561 trlgG= -0.146333 logG= -0.028546 TDE= -0.170766 Density= 0.106867 ETOT(band)= -0.116525 trlgG= -0.145802 logG= -0.028383 TDE= -0.170301 logGD-logG0= -0.004984 tlogG= -0.023962 logG= -0.028945 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106847 ETOT(band)= -0.116827 trlgG= -0.146748 logG= -0.028945 TDE= -0.170676 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022474 logG= -0.027579 logGD-logG0= -0.004971 tlogG= -0.024130 logG= -0.029102 Density= 0.107139 ETOT(band)= -0.116817 trlgG= -0.147012 logG= -0.029102 TDE= -0.170928 Density= 0.107715 ETOT(band)= -0.115698 trlgG= -0.144301 logG= -0.027579 TDE= -0.170025 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005389 tlogG= -0.023268 logG= -0.028657 Density= 0.107756 ETOT(band)= -0.116283 trlgG= -0.146005 logG= -0.028657 TDE= -0.170672 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001656 tlogG= -0.007016 logG= -0.008672 Density= 0.036216 ETOT(band)= -0.038046 trlgG= -0.047212 logG= -0.008672 TDE= -0.056461 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004998 tlogG= -0.021637 logG= -0.026635 Density= 0.108576 ETOT(band)= -0.114636 trlgG= -0.142713 logG= -0.026635 TDE= -0.169806 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005079 tlogG= -0.022246 logG= -0.027324 Density= 0.108418 ETOT(band)= -0.115170 trlgG= -0.143874 logG= -0.027324 TDE= -0.170200 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000200 tlogG= -0.000856 logG= -0.001056 Density= 0.004545 ETOT(band)= -0.004723 trlgG= -0.005848 logG= -0.001056 TDE= -0.007042 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002371 tlogG= -0.011914 logG= -0.014285 Density= 0.053603 ETOT(band)= -0.058263 trlgG= -0.073191 logG= -0.014285 TDE= -0.085431 logGD-logG0= -0.002648 tlogG= -0.012065 logG= -0.014713 logGD-logG0= -0.005166 tlogG= -0.021882 logG= -0.027048 Density= 0.107868 ETOT(band)= -0.115273 trlgG= -0.143433 logG= -0.027048 TDE= -0.169763 Density= 0.053799 ETOT(band)= -0.058401 trlgG= -0.073609 logG= -0.014713 TDE= -0.085518 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002466 tlogG= -0.012113 logG= -0.014579 Density= 0.053624 ETOT(band)= -0.058407 trlgG= -0.073553 logG= -0.014579 TDE= -0.085511 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001516 tlogG= -0.007830 logG= -0.009346 Density= 0.035526 ETOT(band)= -0.038827 trlgG= -0.048553 logG= -0.009346 TDE= -0.056787 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002379 tlogG= -0.011479 logG= -0.013859 Density= 0.053777 ETOT(band)= -0.057936 trlgG= -0.072430 logG= -0.013859 TDE= -0.085183 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012016 logG= -0.014626 Density= 0.054165 ETOT(band)= -0.058174 trlgG= -0.073485 logG= -0.014626 TDE= -0.085663 logGD-logG0= -0.005244 tlogG= -0.023495 logG= -0.028739 Density= 0.108192 ETOT(band)= -0.116131 trlgG= -0.146156 logG= -0.028739 TDE= -0.170956 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.022527 logG= -0.027656 Density= 0.108270 ETOT(band)= -0.115486 trlgG= -0.144437 logG= -0.027656 TDE= -0.170358 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005369 tlogG= -0.024139 logG= -0.029508 Density= 0.107712 ETOT(band)= -0.116806 trlgG= -0.147366 logG= -0.029508 TDE= -0.171160 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023050 logG= -0.028249 logGD-logG0= -0.005251 tlogG= -0.023827 logG= -0.029078 Density= 0.108236 ETOT(band)= -0.116295 trlgG= -0.146693 logG= -0.029078 TDE= -0.171175 logGD-logG0= -0.004433 tlogG= -0.024032 logG= -0.028466 Density= 0.108200 ETOT(band)= -0.115859 trlgG= -0.145382 logG= -0.028249 TDE= -0.170675 Density= 0.106271 ETOT(band)= -0.116819 trlgG= -0.146508 logG= -0.028466 TDE= -0.170631 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.023753 logG= -0.028674 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107457 ETOT(band)= -0.116453 trlgG= -0.146255 logG= -0.028674 TDE= -0.170756 logGD-logG0= -0.005239 tlogG= -0.024013 logG= -0.029252 logGD-logG0= -0.002678 tlogG= -0.012018 logG= -0.014696 Density= 0.054014 ETOT(band)= -0.058291 trlgG= -0.073600 logG= -0.014696 TDE= -0.085633 Density= 0.108284 ETOT(band)= -0.116371 trlgG= -0.146973 logG= -0.029252 TDE= -0.171305 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005388 tlogG= -0.024147 logG= -0.029535 logGD-logG0= -0.005420 tlogG= -0.024193 logG= -0.029613 Density= 0.107951 ETOT(band)= -0.116721 trlgG= -0.147437 logG= -0.029535 TDE= -0.171322 Density= 0.107876 ETOT(band)= -0.116806 trlgG= -0.147559 logG= -0.029613 TDE= -0.171329 logGD-logG0= -0.004713 tlogG= -0.023264 logG= -0.027977 Density= 0.106833 ETOT(band)= -0.116333 trlgG= -0.145313 logG= -0.027977 TDE= -0.170202 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.023935 logG= -0.029161 Density= 0.108304 ETOT(band)= -0.116308 trlgG= -0.146825 logG= -0.029161 TDE= -0.171258 logGD-logG0= -0.005321 tlogG= -0.024032 logG= -0.029352 Density= 0.107518 ETOT(band)= -0.116787 trlgG= -0.147088 logG= -0.029352 TDE= -0.170941 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023282 logG= -0.028476 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108256 ETOT(band)= -0.115955 trlgG= -0.145739 logG= -0.028476 TDE= -0.170834 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005400 tlogG= -0.023972 logG= -0.029373 logGD-logG0= -0.005227 tlogG= -0.023670 logG= -0.028897 logGD-logG0= -0.005126 tlogG= -0.022803 logG= -0.027929 Density= 0.108262 ETOT(band)= -0.116180 trlgG= -0.146403 logG= -0.028897 TDE= -0.171079 Density= 0.107819 ETOT(band)= -0.116675 trlgG= -0.147155 logG= -0.029373 TDE= -0.171137 Density= 0.108312 ETOT(band)= -0.115625 trlgG= -0.144874 logG= -0.027929 TDE= -0.170544 logGD-logG0= -0.004764 tlogG= -0.023732 logG= -0.028496 Density= 0.106692 ETOT(band)= -0.116668 trlgG= -0.146217 logG= -0.028496 TDE= -0.170518 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005200 tlogG= -0.022944 logG= -0.028144 Density= 0.107694 ETOT(band)= -0.116032 trlgG= -0.145195 logG= -0.028144 TDE= -0.170344 logGD-logG0= -0.005084 tlogG= -0.024157 logG= -0.029241 logGD-logG0= -0.004956 tlogG= -0.022916 logG= -0.027872 Density= 0.107823 ETOT(band)= -0.115830 trlgG= -0.144793 logG= -0.027872 TDE= -0.170277 Density= 0.107455 ETOT(band)= -0.116764 trlgG= -0.146997 logG= -0.029241 TDE= -0.170930 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004834 tlogG= -0.022914 logG= -0.027748 Density= 0.107382 ETOT(band)= -0.115963 trlgG= -0.144908 logG= -0.027748 TDE= -0.170298 logGD-logG0= -0.005375 tlogG= -0.023931 logG= -0.029306 Density= 0.107979 ETOT(band)= -0.116549 trlgG= -0.147056 logG= -0.029306 TDE= -0.171183 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009965 tlogG= -0.048369 logG= -0.058334 Density= 0.214561 ETOT(band)= -0.233600 trlgG= -0.294108 logG= -0.058334 TDE= -0.341949 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.024119 logG= -0.029483 Density= 0.108009 ETOT(band)= -0.116655 trlgG= -0.147352 logG= -0.029483 TDE= -0.171317 logGD-logG0= -0.009829 tlogG= -0.047282 logG= -0.057111 logGD-logG0= -0.009279 tlogG= -0.047754 logG= -0.057032 Density= 0.213945 ETOT(band)= -0.233175 trlgG= -0.292513 logG= -0.057111 TDE= -0.341273 Density= 0.213121 ETOT(band)= -0.233452 trlgG= -0.292581 logG= -0.057032 TDE= -0.341012 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023641 logG= -0.029052 logGD-logG0= -0.009658 tlogG= -0.045888 logG= -0.055546 Density= 0.107868 ETOT(band)= -0.116449 trlgG= -0.146638 logG= -0.029052 TDE= -0.170964 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215180 ETOT(band)= -0.231771 trlgG= -0.289728 logG= -0.055546 TDE= -0.340664 logGD-logG0= -0.009934 tlogG= -0.045715 logG= -0.055649 Density= 0.214541 ETOT(band)= -0.232104 trlgG= -0.289888 logG= -0.055649 TDE= -0.340404 logGD-logG0= -0.009978 tlogG= -0.047289 logG= -0.057267 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213958 ETOT(band)= -0.233219 trlgG= -0.292306 logG= -0.057267 TDE= -0.340917 logGD-logG0= -0.009605 tlogG= -0.047572 logG= -0.057177 Density= 0.214476 ETOT(band)= -0.233020 trlgG= -0.292659 logG= -0.057177 TDE= -0.341616 logGD-logG0= -0.009701 tlogG= -0.048063 logG= -0.057764 logGD-logG0= -0.002451 tlogG= -0.010463 logG= -0.012914 Density= 0.054406 ETOT(band)= -0.056954 trlgG= -0.070642 logG= -0.012914 TDE= -0.084651 logGD-logG0= -0.010487 tlogG= -0.048115 logG= -0.058602 logGD-logG0= -0.010109 tlogG= -0.048023 logG= -0.058133 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213459 ETOT(band)= -0.233671 trlgG= -0.293214 logG= -0.057764 TDE= -0.341081 Density= 0.215219 ETOT(band)= -0.233450 trlgG= -0.294028 logG= -0.058602 TDE= -0.341927 Density= 0.214139 ETOT(band)= -0.233626 trlgG= -0.293783 logG= -0.058133 TDE= -0.341617 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010686 tlogG= -0.047877 logG= -0.058564 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214911 ETOT(band)= -0.233534 trlgG= -0.293925 logG= -0.058564 TDE= -0.341710 logGD-logG0= -0.010642 tlogG= -0.048214 logG= -0.058856 logGD-logG0= -0.010721 tlogG= -0.048150 logG= -0.058871 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215252 ETOT(band)= -0.233588 trlgG= -0.294472 logG= -0.058871 TDE= -0.342118 Density= 0.215216 ETOT(band)= -0.233596 trlgG= -0.294444 logG= -0.058856 TDE= -0.342088 logGD-logG0= -0.010549 tlogG= -0.047918 logG= -0.058467 Density= 0.214812 ETOT(band)= -0.233524 trlgG= -0.293753 logG= -0.058467 TDE= -0.341587 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010797 tlogG= -0.047651 logG= -0.058449 Density= 0.215833 ETOT(band)= -0.233061 trlgG= -0.293839 logG= -0.058449 TDE= -0.342194 logGD-logG0= -0.001723 tlogG= -0.007324 logG= -0.009047 Density= 0.035872 ETOT(band)= -0.038486 trlgG= -0.047862 logG= -0.009047 TDE= -0.056566 logGD-logG0= -0.010233 tlogG= -0.048157 logG= -0.058390 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214690 ETOT(band)= -0.233550 trlgG= -0.293863 logG= -0.058390 TDE= -0.341712 logGD-logG0= -0.010347 tlogG= -0.046549 logG= -0.056896 Density= 0.215369 ETOT(band)= -0.232417 trlgG= -0.291343 logG= -0.056896 TDE= -0.341022 logGD-logG0= -0.010339 tlogG= -0.047794 logG= -0.058133 logGD-logG0= -0.010726 tlogG= -0.048064 logG= -0.058789 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010039 tlogG= -0.045781 logG= -0.055820 Density= 0.215311 ETOT(band)= -0.231850 trlgG= -0.289724 logG= -0.055820 TDE= -0.340450 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216022 ETOT(band)= -0.233183 trlgG= -0.294406 logG= -0.058789 TDE= -0.342515 Density= 0.214121 ETOT(band)= -0.233613 trlgG= -0.293535 logG= -0.058133 TDE= -0.341360 logGD-logG0= -0.002513 tlogG= -0.010873 logG= -0.013386 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054098 ETOT(band)= -0.057463 trlgG= -0.071479 logG= -0.013386 TDE= -0.084864 logGD-logG0= -0.010563 tlogG= -0.047449 logG= -0.058012 Density= 0.214429 ETOT(band)= -0.233414 trlgG= -0.293013 logG= -0.058012 TDE= -0.341111 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010779 tlogG= -0.048011 logG= -0.058790 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215897 ETOT(band)= -0.233251 trlgG= -0.294403 logG= -0.058790 TDE= -0.342449 logGD-logG0= -0.010740 tlogG= -0.047565 logG= -0.058305 Density= 0.215606 ETOT(band)= -0.233094 trlgG= -0.293591 logG= -0.058305 TDE= -0.341978 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010832 tlogG= -0.048285 logG= -0.059117 Density= 0.215560 ETOT(band)= -0.233621 trlgG= -0.294916 logG= -0.059117 TDE= -0.342469 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010782 tlogG= -0.047023 logG= -0.057805 Density= 0.215572 ETOT(band)= -0.232816 trlgG= -0.292791 logG= -0.057805 TDE= -0.341662 logGD-logG0= -0.009958 tlogG= -0.047352 logG= -0.057311 logGD-logG0= -0.010259 tlogG= -0.047288 logG= -0.057547 Density= 0.215301 ETOT(band)= -0.232818 trlgG= -0.292357 logG= -0.057547 TDE= -0.341352 Density= 0.214642 ETOT(band)= -0.232986 trlgG= -0.292438 logG= -0.057311 TDE= -0.341343 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.021946 logG= -0.027029 Density= 0.108389 ETOT(band)= -0.114997 trlgG= -0.143386 logG= -0.027029 TDE= -0.169993 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004919 tlogG= -0.021062 logG= -0.025982 Density= 0.108767 ETOT(band)= -0.114053 trlgG= -0.141562 logG= -0.025982 TDE= -0.169404 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005108 tlogG= -0.021759 logG= -0.026867 Density= 0.108007 ETOT(band)= -0.115084 trlgG= -0.143128 logG= -0.026867 TDE= -0.169708 logGD-logG0= -0.010210 tlogG= -0.043522 logG= -0.053732 Density= 0.216419 ETOT(band)= -0.229967 trlgG= -0.286243 logG= -0.053732 TDE= -0.339606 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001210 tlogG= -0.005190 logG= -0.006400 logGD-logG0= -0.005163 tlogG= -0.024019 logG= -0.029182 Density= 0.062588 ETOT(band)= -0.067385 trlgG= -0.084129 logG= -0.006400 TDE= -0.042294 Density= 0.214503 ETOT(band)= -0.233550 trlgG= -0.293617 logG= -0.029182 TDE= -0.170791 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004993 tlogG= -0.023951 logG= -0.028944 logGD-logG0= -0.004656 tlogG= -0.024035 logG= -0.028690 Density= 0.213966 ETOT(band)= -0.233448 trlgG= -0.292696 logG= -0.028944 TDE= -0.170518 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213004 ETOT(band)= -0.233685 trlgG= -0.293186 logG= -0.028690 TDE= -0.170566 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023952 logG= -0.028634 Density= 0.213473 ETOT(band)= -0.233286 trlgG= -0.292200 logG= -0.028634 TDE= -0.170518 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.023897 logG= -0.028815 Density= 0.213752 ETOT(band)= -0.233582 trlgG= -0.293436 logG= -0.028815 TDE= -0.170774 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023433 logG= -0.028171 Density= 0.214353 ETOT(band)= -0.232822 trlgG= -0.292049 logG= -0.028171 TDE= -0.170638 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004379 tlogG= -0.024189 logG= -0.028569 Density= 0.212377 ETOT(band)= -0.233771 trlgG= -0.293363 logG= -0.028569 TDE= -0.170706 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005514 tlogG= -0.023427 logG= -0.028941 Density= 0.215259 ETOT(band)= -0.232829 trlgG= -0.292431 logG= -0.028941 TDE= -0.170682 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.024068 logG= -0.028893 Density= 0.214286 ETOT(band)= -0.233535 trlgG= -0.293841 logG= -0.028893 TDE= -0.170958 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.022509 logG= -0.027714 Density= 0.216502 ETOT(band)= -0.230775 trlgG= -0.288400 logG= -0.027714 TDE= -0.170298 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001724 tlogG= -0.007140 logG= -0.008864 Density= 0.072274 ETOT(band)= -0.076316 trlgG= -0.094766 logG= -0.008864 TDE= -0.056535 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005052 tlogG= -0.022969 logG= -0.028021 Density= 0.214968 ETOT(band)= -0.231862 trlgG= -0.289411 logG= -0.028021 TDE= -0.170163 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.022355 logG= -0.027393 Density= 0.214442 ETOT(band)= -0.231889 trlgG= -0.289153 logG= -0.027393 TDE= -0.169897 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005007 tlogG= -0.022533 logG= -0.027540 Density= 0.215192 ETOT(band)= -0.231131 trlgG= -0.287773 logG= -0.027540 TDE= -0.169910 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.021950 logG= -0.027119 Density= 0.216760 ETOT(band)= -0.229794 trlgG= -0.286257 logG= -0.027119 TDE= -0.169960 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001460 tlogG= -0.007984 logG= -0.009445 Density= 0.070935 ETOT(band)= -0.077752 trlgG= -0.097347 logG= -0.009445 TDE= -0.056871 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004572 tlogG= -0.023645 logG= -0.028217 Density= 0.212821 ETOT(band)= -0.233402 trlgG= -0.292425 logG= -0.028217 TDE= -0.170426 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001613 tlogG= -0.006899 logG= -0.008512 logGD-logG0= -0.004515 tlogG= -0.023798 logG= -0.028313 Density= 0.213285 ETOT(band)= -0.233005 trlgG= -0.291458 logG= -0.028313 TDE= -0.170510 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040867 ETOT(band)= -0.042587 trlgG= -0.052762 logG= -0.008512 TDE= -0.056376 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001602 tlogG= -0.007608 logG= -0.009210 Density= 0.071557 ETOT(band)= -0.077165 trlgG= -0.096061 logG= -0.009210 TDE= -0.056648 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005325 logG= -0.006554 Density= 0.081600 ETOT(band)= -0.085511 trlgG= -0.106135 logG= -0.006554 TDE= -0.042396 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001301 tlogG= -0.005955 logG= -0.007257 Density= 0.080882 ETOT(band)= -0.087456 trlgG= -0.110261 logG= -0.007257 TDE= -0.042798 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005765 logG= -0.007046 Density= 0.080693 ETOT(band)= -0.087199 trlgG= -0.109510 logG= -0.007046 TDE= -0.042679 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005637 logG= -0.006897 Density= 0.080894 ETOT(band)= -0.086774 trlgG= -0.108512 logG= -0.006897 TDE= -0.042604 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001296 tlogG= -0.005872 logG= -0.007168 Density= 0.080703 ETOT(band)= -0.087415 trlgG= -0.110066 logG= -0.007168 TDE= -0.042744 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.024063 logG= -0.029383 logGD-logG0= -0.001300 tlogG= -0.006000 logG= -0.007300 Density= 0.081105 ETOT(band)= -0.087365 trlgG= -0.110322 logG= -0.007300 TDE= -0.042828 Density= 0.215817 ETOT(band)= -0.233349 trlgG= -0.294554 logG= -0.029383 TDE= -0.171300 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.021422 logG= -0.026504 Density= 0.217145 ETOT(band)= -0.228696 trlgG= -0.284065 logG= -0.026504 TDE= -0.169630 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005335 tlogG= -0.023554 logG= -0.028889 Density= 0.215362 ETOT(band)= -0.232806 trlgG= -0.292639 logG= -0.028889 TDE= -0.170892 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.023861 logG= -0.029214 Density= 0.215474 ETOT(band)= -0.233245 trlgG= -0.293906 logG= -0.029214 TDE= -0.171148 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.021277 logG= -0.026319 Density= 0.216487 ETOT(band)= -0.229540 trlgG= -0.285303 logG= -0.026319 TDE= -0.169537 11) Finished k-point 24 2 with nemin= 1 nemax= 18 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005285 tlogG= -0.024062 logG= -0.029346 Density= 0.216470 ETOT(band)= -0.232851 trlgG= -0.294102 logG= -0.029346 TDE= -0.171319 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.024068 logG= -0.028926 Density= 0.321806 ETOT(band)= -0.350291 trlgG= -0.440918 logG= -0.028926 TDE= -0.170954 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.024181 logG= -0.029594 Density= 0.215848 ETOT(band)= -0.233504 trlgG= -0.294967 logG= -0.029594 TDE= -0.171329 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005159 tlogG= -0.023912 logG= -0.029072 Density= 0.215632 ETOT(band)= -0.233245 trlgG= -0.293998 logG= -0.029072 TDE= -0.170833 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024019 logG= -0.029297 Density= 0.216503 ETOT(band)= -0.232748 trlgG= -0.293872 logG= -0.029297 TDE= -0.171292 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.024220 logG= -0.029324 Density= 0.214894 ETOT(band)= -0.233633 trlgG= -0.294243 logG= -0.029324 TDE= -0.170966 logGD-logG0= -0.010597 tlogG= -0.047911 logG= -0.058508 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324529 ETOT(band)= -0.349176 trlgG= -0.440646 logG= -0.058508 TDE= -0.342478 logGD-logG0= -0.010640 tlogG= -0.047362 logG= -0.058001 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324322 ETOT(band)= -0.348801 trlgG= -0.439293 logG= -0.058001 TDE= -0.342087 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004770 tlogG= -0.023431 logG= -0.028201 logGD-logG0= -0.005300 tlogG= -0.023479 logG= -0.028780 Density= 0.321883 ETOT(band)= -0.349243 trlgG= -0.438341 logG= -0.028201 TDE= -0.170631 Density= 0.216325 ETOT(band)= -0.232162 trlgG= -0.291955 logG= -0.028780 TDE= -0.170914 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010347 tlogG= -0.045770 logG= -0.056117 logGD-logG0= -0.005129 tlogG= -0.024226 logG= -0.029355 Density= 0.322662 ETOT(band)= -0.350429 trlgG= -0.441593 logG= -0.029355 TDE= -0.170962 logGD-logG0= -0.005460 tlogG= -0.023958 logG= -0.029418 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324256 ETOT(band)= -0.347189 trlgG= -0.434588 logG= -0.056117 TDE= -0.340914 Density= 0.215778 ETOT(band)= -0.233251 trlgG= -0.294282 logG= -0.029418 TDE= -0.171153 logGD-logG0= -0.005270 tlogG= -0.023034 logG= -0.028304 logGD-logG0= -0.010864 tlogG= -0.048173 logG= -0.059037 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323450 ETOT(band)= -0.350214 trlgG= -0.441947 logG= -0.059037 TDE= -0.342460 Density= 0.216359 ETOT(band)= -0.231586 trlgG= -0.290340 logG= -0.028304 TDE= -0.170629 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.023825 logG= -0.029121 Density= 0.216398 ETOT(band)= -0.232546 trlgG= -0.293164 logG= -0.029121 TDE= -0.171152 logGD-logG0= -0.010630 tlogG= -0.046546 logG= -0.057176 Density= 0.324198 ETOT(band)= -0.348137 trlgG= -0.437204 logG= -0.057176 TDE= -0.341533 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.023305 logG= -0.028173 Density= 0.213685 ETOT(band)= -0.233046 trlgG= -0.291917 logG= -0.028173 TDE= -0.170472 logGD-logG0= -0.005115 tlogG= -0.023313 logG= -0.028428 Density= 0.321948 ETOT(band)= -0.349752 trlgG= -0.439185 logG= -0.028428 TDE= -0.170580 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.024153 logG= -0.029485 Density= 0.323268 ETOT(band)= -0.350416 trlgG= -0.442243 logG= -0.029485 TDE= -0.171141 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009855 tlogG= -0.046735 logG= -0.056590 Density= 0.322940 ETOT(band)= -0.348223 trlgG= -0.436008 logG= -0.056590 TDE= -0.341076 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005445 tlogG= -0.024017 logG= -0.029462 Density= 0.323854 ETOT(band)= -0.349901 trlgG= -0.441709 logG= -0.029462 TDE= -0.171202 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023263 logG= -0.028513 Density= 0.215031 ETOT(band)= -0.232421 trlgG= -0.290932 logG= -0.028513 TDE= -0.170340 logGD-logG0= -0.009115 tlogG= -0.048217 logG= -0.057332 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425929 ETOT(band)= -0.467166 trlgG= -0.585850 logG= -0.057332 TDE= -0.341244 logGD-logG0= -0.005507 tlogG= -0.023744 logG= -0.029251 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215548 ETOT(band)= -0.233096 trlgG= -0.293578 logG= -0.029251 TDE= -0.170976 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009675 tlogG= -0.046732 logG= -0.056407 logGD-logG0= -0.009613 tlogG= -0.046837 logG= -0.056450 Density= 0.428447 ETOT(band)= -0.465743 trlgG= -0.583868 logG= -0.056407 TDE= -0.341094 Density= 0.428259 ETOT(band)= -0.465013 trlgG= -0.581252 logG= -0.056450 TDE= -0.340672 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047963 logG= -0.057772 logGD-logG0= -0.010446 tlogG= -0.048353 logG= -0.058799 logGD-logG0= -0.010314 tlogG= -0.048275 logG= -0.058589 Density= 0.429611 ETOT(band)= -0.467195 trlgG= -0.588043 logG= -0.058589 TDE= -0.341773 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430329 ETOT(band)= -0.467218 trlgG= -0.588800 logG= -0.058799 TDE= -0.341961 logGD-logG0= -0.010481 tlogG= -0.048085 logG= -0.058566 Density= 0.429518 ETOT(band)= -0.467153 trlgG= -0.587669 logG= -0.058566 TDE= -0.341596 Density= 0.428376 ETOT(band)= -0.467048 trlgG= -0.587262 logG= -0.057772 TDE= -0.341722 logGD-logG0= -0.010654 tlogG= -0.048206 logG= -0.058860 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430434 ETOT(band)= -0.467051 trlgG= -0.588476 logG= -0.058860 TDE= -0.342087 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.047799 logG= -0.058215 Density= 0.428628 ETOT(band)= -0.467038 trlgG= -0.586593 logG= -0.058215 TDE= -0.341362 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010945 tlogG= -0.047813 logG= -0.058757 Density= 0.431362 ETOT(band)= -0.466446 trlgG= -0.588156 logG= -0.058757 TDE= -0.342215 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.021374 logG= -0.026373 logGD-logG0= -0.009757 tlogG= -0.047902 logG= -0.057659 Density= 0.427542 ETOT(band)= -0.466786 trlgG= -0.585225 logG= -0.057659 TDE= -0.340952 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010822 tlogG= -0.047868 logG= -0.058690 Density= 0.431030 ETOT(band)= -0.466492 trlgG= -0.587785 logG= -0.058690 TDE= -0.342107 Density= 0.162738 ETOT(band)= -0.172624 trlgG= -0.215749 logG= -0.026373 TDE= -0.169619 logGD-logG0= -0.009986 tlogG= -0.047982 logG= -0.057968 logGD-logG0= -0.009802 tlogG= -0.047784 logG= -0.057586 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427042 ETOT(band)= -0.467224 trlgG= -0.586355 logG= -0.057586 TDE= -0.341247 Density= 0.429451 ETOT(band)= -0.466853 trlgG= -0.587272 logG= -0.057968 TDE= -0.341716 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010870 tlogG= -0.048137 logG= -0.059008 Density= 0.431595 ETOT(band)= -0.466734 trlgG= -0.589152 logG= -0.059008 TDE= -0.342479 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010482 tlogG= -0.047063 logG= -0.057546 Density= 0.430194 ETOT(band)= -0.465414 trlgG= -0.583643 logG= -0.057546 TDE= -0.341061 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.046528 logG= -0.056629 Density= 0.429864 ETOT(band)= -0.464484 trlgG= -0.580974 logG= -0.056629 TDE= -0.340793 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.047685 logG= -0.057849 Density= 0.428941 ETOT(band)= -0.466389 trlgG= -0.585651 logG= -0.057849 TDE= -0.341410 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010881 tlogG= -0.047405 logG= -0.058286 Density= 0.430772 ETOT(band)= -0.466060 trlgG= -0.586309 logG= -0.058286 TDE= -0.341724 logGD-logG0= -0.010408 tlogG= -0.047703 logG= -0.058111 Density= 0.430312 ETOT(band)= -0.466067 trlgG= -0.585573 logG= -0.058111 TDE= -0.341503 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001247 tlogG= -0.005486 logG= -0.006734 Density= 0.081251 ETOT(band)= -0.086169 trlgG= -0.107283 logG= -0.006734 TDE= -0.042507 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004927 tlogG= -0.022392 logG= -0.027319 Density= 0.323110 ETOT(band)= -0.347193 trlgG= -0.433619 logG= -0.027319 TDE= -0.169981 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010146 tlogG= -0.044757 logG= -0.054903 Density= 0.324500 ETOT(band)= -0.345922 trlgG= -0.431589 logG= -0.054903 TDE= -0.340242 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.022391 logG= -0.027277 Density= 0.215192 ETOT(band)= -0.231422 trlgG= -0.288821 logG= -0.027277 TDE= -0.169985 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009998 tlogG= -0.044753 logG= -0.054751 Density= 0.431910 ETOT(band)= -0.461057 trlgG= -0.574237 logG= -0.054751 TDE= -0.339879 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.081583734062 eV TrLogG= -406.991290845927 eV Ratio to renormalize= 0.999312862618 rho-rho_expected= 0.015127417022 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 164 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964168485554802 0.939470810340927 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002646 tlogG= -0.012071 logG= -0.014716 Density= 0.053806 ETOT(band)= -0.058417 trlgG= -0.073632 logG= -0.014716 TDE= -0.085542 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000200 tlogG= -0.000856 logG= -0.001056 Density= 0.004546 ETOT(band)= -0.004725 trlgG= -0.005850 logG= -0.001056 TDE= -0.007043 logGD-logG0= -0.002463 tlogG= -0.012120 logG= -0.014582 Density= 0.053630 ETOT(band)= -0.058424 trlgG= -0.073577 logG= -0.014582 TDE= -0.085533 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002376 tlogG= -0.011486 logG= -0.013862 Density= 0.053782 ETOT(band)= -0.057952 trlgG= -0.072453 logG= -0.013862 TDE= -0.085205 logGD-logG0= -0.002368 tlogG= -0.011921 logG= -0.014289 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053608 ETOT(band)= -0.058280 trlgG= -0.073214 logG= -0.014289 TDE= -0.085453 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001432 tlogG= -0.008067 logG= -0.009499 Density= 0.035350 ETOT(band)= -0.038986 trlgG= -0.048931 logG= -0.009499 TDE= -0.056925 logGD-logG0= -0.001514 tlogG= -0.007834 logG= -0.009349 Density= 0.035529 ETOT(band)= -0.038839 trlgG= -0.048570 logG= -0.009349 TDE= -0.056802 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002605 tlogG= -0.012023 logG= -0.014629 Density= 0.054172 ETOT(band)= -0.058189 trlgG= -0.073507 logG= -0.014629 TDE= -0.085685 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023510 logG= -0.028745 logGD-logG0= -0.005230 tlogG= -0.024028 logG= -0.029259 Density= 0.108206 ETOT(band)= -0.116162 trlgG= -0.146200 logG= -0.028745 TDE= -0.171000 Density= 0.108299 ETOT(band)= -0.116402 trlgG= -0.147016 logG= -0.029259 TDE= -0.171350 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.022540 logG= -0.027662 logGD-logG0= -0.004916 tlogG= -0.023765 logG= -0.028681 Density= 0.108283 ETOT(band)= -0.115517 trlgG= -0.144480 logG= -0.027662 TDE= -0.170401 Density= 0.107469 ETOT(band)= -0.116486 trlgG= -0.146300 logG= -0.028681 TDE= -0.170800 logGD-logG0= -0.005191 tlogG= -0.023064 logG= -0.028255 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108213 ETOT(band)= -0.115890 trlgG= -0.145425 logG= -0.028255 TDE= -0.170719 logGD-logG0= -0.004626 tlogG= -0.024118 logG= -0.028744 logGD-logG0= -0.005039 tlogG= -0.022254 logG= -0.027294 Density= 0.108437 ETOT(band)= -0.115214 trlgG= -0.143876 logG= -0.027294 TDE= -0.170243 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106496 ETOT(band)= -0.116893 trlgG= -0.146687 logG= -0.028744 TDE= -0.170643 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022928 logG= -0.027879 logGD-logG0= -0.005242 tlogG= -0.023842 logG= -0.029085 Density= 0.107835 ETOT(band)= -0.115863 trlgG= -0.144837 logG= -0.027879 TDE= -0.170320 Density= 0.108251 ETOT(band)= -0.116326 trlgG= -0.146737 logG= -0.029085 TDE= -0.171220 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.024170 logG= -0.029249 logGD-logG0= -0.004430 tlogG= -0.024044 logG= -0.028474 Density= 0.107468 ETOT(band)= -0.116797 trlgG= -0.147043 logG= -0.029249 TDE= -0.170974 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106280 ETOT(band)= -0.116856 trlgG= -0.146558 logG= -0.028474 TDE= -0.170676 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.024151 logG= -0.029515 logGD-logG0= -0.005372 tlogG= -0.023760 logG= -0.029132 Density= 0.107726 ETOT(band)= -0.116838 trlgG= -0.147413 logG= -0.029515 TDE= -0.171206 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107324 ETOT(band)= -0.116762 trlgG= -0.146735 logG= -0.029132 TDE= -0.170713 logGD-logG0= -0.005379 tlogG= -0.024163 logG= -0.029542 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023983 logG= -0.029380 Density= 0.107833 ETOT(band)= -0.116707 trlgG= -0.147201 logG= -0.029380 TDE= -0.171182 Density= 0.107966 ETOT(band)= -0.116752 trlgG= -0.147483 logG= -0.029542 TDE= -0.171367 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.023720 logG= -0.028800 Density= 0.107077 ETOT(band)= -0.116684 trlgG= -0.146181 logG= -0.028800 TDE= -0.170369 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023297 logG= -0.028482 Density= 0.108270 ETOT(band)= -0.115986 trlgG= -0.145783 logG= -0.028482 TDE= -0.170878 logGD-logG0= -0.005411 tlogG= -0.024209 logG= -0.029620 logGD-logG0= -0.004709 tlogG= -0.023276 logG= -0.027985 Density= 0.106842 ETOT(band)= -0.116368 trlgG= -0.145360 logG= -0.027985 TDE= -0.170247 Density= 0.107891 ETOT(band)= -0.116838 trlgG= -0.147606 logG= -0.029620 TDE= -0.171375 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.022486 logG= -0.027585 Density= 0.107727 ETOT(band)= -0.115730 trlgG= -0.144346 logG= -0.027585 TDE= -0.170069 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023060 logG= -0.027857 Density= 0.106976 ETOT(band)= -0.116240 trlgG= -0.145096 logG= -0.027857 TDE= -0.170176 logGD-logG0= -0.005316 tlogG= -0.024044 logG= -0.029360 logGD-logG0= -0.004762 tlogG= -0.023742 logG= -0.028504 Density= 0.106702 ETOT(band)= -0.116704 trlgG= -0.146266 logG= -0.028504 TDE= -0.170564 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107532 ETOT(band)= -0.116820 trlgG= -0.147135 logG= -0.029360 TDE= -0.170988 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.022817 logG= -0.027935 Density= 0.108326 ETOT(band)= -0.115656 trlgG= -0.144917 logG= -0.027935 TDE= -0.170587 logGD-logG0= -0.002674 tlogG= -0.012026 logG= -0.014700 logGD-logG0= -0.005196 tlogG= -0.022955 logG= -0.028151 Density= 0.107707 ETOT(band)= -0.116064 trlgG= -0.145240 logG= -0.028151 TDE= -0.170388 Density= 0.054021 ETOT(band)= -0.058306 trlgG= -0.073623 logG= -0.014700 TDE= -0.085655 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023685 logG= -0.028903 Density= 0.108276 ETOT(band)= -0.116210 trlgG= -0.146446 logG= -0.028903 TDE= -0.171124 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004403 tlogG= -0.024121 logG= -0.028524 logGD-logG0= -0.005355 tlogG= -0.024135 logG= -0.029490 logGD-logG0= -0.004818 tlogG= -0.023573 logG= -0.028391 Density= 0.106877 ETOT(band)= -0.116560 trlgG= -0.145848 logG= -0.028391 TDE= -0.170345 Density= 0.108024 ETOT(band)= -0.116687 trlgG= -0.147397 logG= -0.029490 TDE= -0.171363 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023761 logG= -0.028554 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107072 ETOT(band)= -0.116596 trlgG= -0.146381 logG= -0.028554 TDE= -0.170811 logGD-logG0= -0.004966 tlogG= -0.024144 logG= -0.029110 Density= 0.107151 ETOT(band)= -0.116851 trlgG= -0.147059 logG= -0.029110 TDE= -0.170973 Density= 0.106228 ETOT(band)= -0.116898 trlgG= -0.146670 logG= -0.028524 TDE= -0.170713 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.023278 logG= -0.028664 logGD-logG0= -0.005217 tlogG= -0.023950 logG= -0.029167 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107769 ETOT(band)= -0.116315 trlgG= -0.146051 logG= -0.028664 TDE= -0.170717 Density= 0.108320 ETOT(band)= -0.116338 trlgG= -0.146868 logG= -0.029167 TDE= -0.171303 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.022927 logG= -0.027755 Density= 0.107393 ETOT(band)= -0.115997 trlgG= -0.144954 logG= -0.027755 TDE= -0.170342 logGD-logG0= -0.009955 tlogG= -0.048395 logG= -0.058350 logGD-logG0= -0.005366 tlogG= -0.023947 logG= -0.029313 Density= 0.214585 ETOT(band)= -0.233667 trlgG= -0.294201 logG= -0.058350 TDE= -0.342039 Density= 0.107994 ETOT(band)= -0.116580 trlgG= -0.147100 logG= -0.029313 TDE= -0.171229 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.023970 logG= -0.028953 Density= 0.106858 ETOT(band)= -0.116862 trlgG= -0.146797 logG= -0.028953 TDE= -0.170722 logGD-logG0= -0.005401 tlogG= -0.023657 logG= -0.029058 Density= 0.107882 ETOT(band)= -0.116481 trlgG= -0.146683 logG= -0.029058 TDE= -0.171010 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009647 tlogG= -0.045913 logG= -0.055560 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215202 ETOT(band)= -0.231837 trlgG= -0.289819 logG= -0.055560 TDE= -0.340752 logGD-logG0= -0.009818 tlogG= -0.047309 logG= -0.057127 logGD-logG0= -0.009923 tlogG= -0.045741 logG= -0.055664 Density= 0.213967 ETOT(band)= -0.233245 trlgG= -0.292609 logG= -0.057127 TDE= -0.341363 Density= 0.214562 ETOT(band)= -0.232172 trlgG= -0.289981 logG= -0.055664 TDE= -0.340493 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009273 tlogG= -0.047775 logG= -0.057049 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213140 ETOT(band)= -0.233524 trlgG= -0.292677 logG= -0.057049 TDE= -0.341101 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009975 tlogG= -0.047307 logG= -0.057283 logGD-logG0= -0.010098 tlogG= -0.048050 logG= -0.058149 Density= 0.213980 ETOT(band)= -0.233288 trlgG= -0.292401 logG= -0.057283 TDE= -0.341006 Density= 0.214163 ETOT(band)= -0.233695 trlgG= -0.293877 logG= -0.058149 TDE= -0.341707 logGD-logG0= -0.010677 tlogG= -0.047902 logG= -0.058579 Density= 0.214937 ETOT(band)= -0.233600 trlgG= -0.294020 logG= -0.058579 TDE= -0.341803 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009698 tlogG= -0.048082 logG= -0.057780 Density= 0.213480 ETOT(band)= -0.233741 trlgG= -0.293312 logG= -0.057780 TDE= -0.341172 logGD-logG0= -0.010633 tlogG= -0.048238 logG= -0.058871 Density= 0.215243 ETOT(band)= -0.233661 trlgG= -0.294538 logG= -0.058871 TDE= -0.342180 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010479 tlogG= -0.048139 logG= -0.058617 Density= 0.215246 ETOT(band)= -0.233515 trlgG= -0.294122 logG= -0.058617 TDE= -0.342019 logGD-logG0= -0.010540 tlogG= -0.047942 logG= -0.058482 Density= 0.214838 ETOT(band)= -0.233591 trlgG= -0.293848 logG= -0.058482 TDE= -0.341679 logGD-logG0= -0.010712 tlogG= -0.048174 logG= -0.058886 Density= 0.215279 ETOT(band)= -0.233653 trlgG= -0.294566 logG= -0.058886 TDE= -0.342211 logGD-logG0= -0.010223 tlogG= -0.048183 logG= -0.058406 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007020 logG= -0.008674 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009594 tlogG= -0.047599 logG= -0.057192 Density= 0.214715 ETOT(band)= -0.233617 trlgG= -0.293955 logG= -0.058406 TDE= -0.341800 Density= 0.214499 ETOT(band)= -0.233088 trlgG= -0.292753 logG= -0.057192 TDE= -0.341706 Density= 0.036220 ETOT(band)= -0.038056 trlgG= -0.047225 logG= -0.008674 TDE= -0.056475 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001722 tlogG= -0.007328 logG= -0.009050 Density= 0.035876 ETOT(band)= -0.038497 trlgG= -0.047877 logG= -0.009050 TDE= -0.056581 logGD-logG0= -0.010780 tlogG= -0.047683 logG= -0.058462 logGD-logG0= -0.010560 tlogG= -0.047468 logG= -0.058028 Density= 0.214453 ETOT(band)= -0.233481 trlgG= -0.293106 logG= -0.058028 TDE= -0.341201 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010707 tlogG= -0.048095 logG= -0.058803 Density= 0.216052 ETOT(band)= -0.233245 trlgG= -0.294496 logG= -0.058803 TDE= -0.342606 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215861 ETOT(band)= -0.233124 trlgG= -0.293929 logG= -0.058462 TDE= -0.342285 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.047815 logG= -0.058149 logGD-logG0= -0.010338 tlogG= -0.046572 logG= -0.056910 Density= 0.215394 ETOT(band)= -0.232482 trlgG= -0.291435 logG= -0.056910 TDE= -0.341112 logGD-logG0= -0.010029 tlogG= -0.045805 logG= -0.055834 Density= 0.214145 ETOT(band)= -0.233681 trlgG= -0.293629 logG= -0.058149 TDE= -0.341450 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047586 logG= -0.058319 Density= 0.215634 ETOT(band)= -0.233158 trlgG= -0.293682 logG= -0.058319 TDE= -0.342070 Density= 0.215334 ETOT(band)= -0.231915 trlgG= -0.289813 logG= -0.055834 TDE= -0.340538 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010824 tlogG= -0.048308 logG= -0.059132 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215589 ETOT(band)= -0.233685 trlgG= -0.295010 logG= -0.059132 TDE= -0.342562 logGD-logG0= -0.010761 tlogG= -0.048043 logG= -0.058804 Density= 0.215926 ETOT(band)= -0.233314 trlgG= -0.294493 logG= -0.058804 TDE= -0.342540 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.047311 logG= -0.057561 logGD-logG0= -0.009948 tlogG= -0.047378 logG= -0.057326 Density= 0.214665 ETOT(band)= -0.233053 trlgG= -0.292530 logG= -0.057326 TDE= -0.341432 Density= 0.215327 ETOT(band)= -0.232883 trlgG= -0.292449 logG= -0.057561 TDE= -0.341442 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002509 tlogG= -0.010879 logG= -0.013389 Density= 0.054104 ETOT(band)= -0.057479 trlgG= -0.071501 logG= -0.013389 TDE= -0.084885 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010775 tlogG= -0.047044 logG= -0.057819 Density= 0.215599 ETOT(band)= -0.232880 trlgG= -0.292882 logG= -0.057819 TDE= -0.341753 logGD-logG0= -0.005076 tlogG= -0.021959 logG= -0.027035 Density= 0.108402 ETOT(band)= -0.115028 trlgG= -0.143428 logG= -0.027035 TDE= -0.170036 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004991 tlogG= -0.021650 logG= -0.026640 Density= 0.108589 ETOT(band)= -0.114666 trlgG= -0.142754 logG= -0.026640 TDE= -0.169848 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021075 logG= -0.025986 Density= 0.108780 ETOT(band)= -0.114083 trlgG= -0.141602 logG= -0.025986 TDE= -0.169446 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002448 tlogG= -0.010469 logG= -0.012916 Density= 0.054413 ETOT(band)= -0.056969 trlgG= -0.070662 logG= -0.012916 TDE= -0.084672 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005160 tlogG= -0.021894 logG= -0.027054 Density= 0.107879 ETOT(band)= -0.115305 trlgG= -0.143477 logG= -0.027054 TDE= -0.169807 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005102 tlogG= -0.021771 logG= -0.026873 Density= 0.108019 ETOT(band)= -0.115116 trlgG= -0.143171 logG= -0.026873 TDE= -0.169751 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010198 tlogG= -0.043545 logG= -0.053743 Density= 0.216443 ETOT(band)= -0.230030 trlgG= -0.286328 logG= -0.053743 TDE= -0.339691 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001459 tlogG= -0.007988 logG= -0.009447 Density= 0.070940 ETOT(band)= -0.077777 trlgG= -0.097380 logG= -0.009447 TDE= -0.056887 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005193 logG= -0.006401 Density= 0.062594 ETOT(band)= -0.067405 trlgG= -0.084156 logG= -0.006401 TDE= -0.042305 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004512 tlogG= -0.023810 logG= -0.028322 Density= 0.213303 ETOT(band)= -0.233077 trlgG= -0.291555 logG= -0.028322 TDE= -0.170555 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001611 tlogG= -0.006903 logG= -0.008514 Density= 0.040872 ETOT(band)= -0.042598 trlgG= -0.052777 logG= -0.008514 TDE= -0.056390 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001601 tlogG= -0.007611 logG= -0.009212 Density= 0.071564 ETOT(band)= -0.077188 trlgG= -0.096092 logG= -0.009212 TDE= -0.056663 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001721 tlogG= -0.007144 logG= -0.008866 Density= 0.072283 ETOT(band)= -0.076337 trlgG= -0.094794 logG= -0.008866 TDE= -0.056549 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005003 tlogG= -0.022544 logG= -0.027547 Density= 0.215214 ETOT(band)= -0.231197 trlgG= -0.287863 logG= -0.027547 TDE= -0.169954 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.021290 logG= -0.026324 Density= 0.216511 ETOT(band)= -0.229603 trlgG= -0.285387 logG= -0.026324 TDE= -0.169580 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001299 tlogG= -0.005959 logG= -0.007258 Density= 0.080893 ETOT(band)= -0.087480 trlgG= -0.110295 logG= -0.007258 TDE= -0.042809 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001294 tlogG= -0.005876 logG= -0.007170 Density= 0.080713 ETOT(band)= -0.087440 trlgG= -0.110100 logG= -0.007170 TDE= -0.042755 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005640 logG= -0.006898 Density= 0.080902 ETOT(band)= -0.086799 trlgG= -0.108545 logG= -0.006898 TDE= -0.042614 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005768 logG= -0.007047 Density= 0.080702 ETOT(band)= -0.087224 trlgG= -0.109544 logG= -0.007047 TDE= -0.042690 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004568 tlogG= -0.023657 logG= -0.028225 logGD-logG0= -0.004680 tlogG= -0.023963 logG= -0.028643 Density= 0.213493 ETOT(band)= -0.233357 trlgG= -0.292295 logG= -0.028643 TDE= -0.170562 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212838 ETOT(band)= -0.233475 trlgG= -0.292523 logG= -0.028225 TDE= -0.170471 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.024198 logG= -0.029601 Density= 0.215877 ETOT(band)= -0.233568 trlgG= -0.295059 logG= -0.029601 TDE= -0.171375 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.022979 logG= -0.028028 Density= 0.214990 ETOT(band)= -0.231929 trlgG= -0.289502 logG= -0.028028 TDE= -0.170207 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.023565 logG= -0.028896 Density= 0.215388 ETOT(band)= -0.232870 trlgG= -0.292729 logG= -0.028896 TDE= -0.170937 logGD-logG0= -0.005344 tlogG= -0.023877 logG= -0.029221 Density= 0.215501 ETOT(band)= -0.233309 trlgG= -0.293996 logG= -0.029221 TDE= -0.171193 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.024077 logG= -0.029353 Density= 0.216500 ETOT(band)= -0.232912 trlgG= -0.294190 logG= -0.029353 TDE= -0.171364 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.024078 logG= -0.029390 Density= 0.215846 ETOT(band)= -0.233412 trlgG= -0.294645 logG= -0.029390 TDE= -0.171345 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001298 tlogG= -0.006003 logG= -0.007302 Density= 0.081117 ETOT(band)= -0.087388 trlgG= -0.110355 logG= -0.007302 TDE= -0.042839 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.024164 logG= -0.029492 Density= 0.323311 ETOT(band)= -0.350513 trlgG= -0.442383 logG= -0.029492 TDE= -0.171188 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004376 tlogG= -0.024201 logG= -0.028577 Density= 0.212394 ETOT(band)= -0.233846 trlgG= -0.293463 logG= -0.028577 TDE= -0.170752 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023924 logG= -0.029079 Density= 0.215660 ETOT(band)= -0.233309 trlgG= -0.294090 logG= -0.029079 TDE= -0.170879 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.024081 logG= -0.028933 Density= 0.321843 ETOT(band)= -0.350393 trlgG= -0.441057 logG= -0.028933 TDE= -0.170999 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.024239 logG= -0.029363 Density= 0.322702 ETOT(band)= -0.350527 trlgG= -0.441732 logG= -0.029363 TDE= -0.171007 logGD-logG0= -0.005199 tlogG= -0.022521 logG= -0.027721 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216533 ETOT(band)= -0.230851 trlgG= -0.288447 logG= -0.027721 TDE= -0.170341 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.024032 logG= -0.029190 Density= 0.214528 ETOT(band)= -0.233617 trlgG= -0.293711 logG= -0.029190 TDE= -0.170836 logGD-logG0= -0.004654 tlogG= -0.024045 logG= -0.028699 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213023 ETOT(band)= -0.233757 trlgG= -0.293282 logG= -0.028699 TDE= -0.170611 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047392 logG= -0.058015 Density= 0.324365 ETOT(band)= -0.348894 trlgG= -0.439425 logG= -0.058015 TDE= -0.342177 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023494 logG= -0.028786 Density= 0.216353 ETOT(band)= -0.232224 trlgG= -0.292042 logG= -0.028786 TDE= -0.170959 logGD-logG0= -0.010853 tlogG= -0.048198 logG= -0.059052 Density= 0.323493 ETOT(band)= -0.350310 trlgG= -0.442086 logG= -0.059052 TDE= -0.342552 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005262 tlogG= -0.023049 logG= -0.028311 logGD-logG0= -0.004992 tlogG= -0.023960 logG= -0.028952 Density= 0.213989 ETOT(band)= -0.233517 trlgG= -0.292792 logG= -0.028952 TDE= -0.170564 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216386 ETOT(band)= -0.231648 trlgG= -0.290428 logG= -0.028311 TDE= -0.170673 logGD-logG0= -0.005099 tlogG= -0.024233 logG= -0.029331 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010339 tlogG= -0.045792 logG= -0.056130 Density= 0.214920 ETOT(band)= -0.233699 trlgG= -0.294336 logG= -0.029331 TDE= -0.171011 Density= 0.324294 ETOT(band)= -0.347284 trlgG= -0.434719 logG= -0.056130 TDE= -0.341002 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010579 tlogG= -0.047942 logG= -0.058521 logGD-logG0= -0.004862 tlogG= -0.023319 logG= -0.028181 Density= 0.324574 ETOT(band)= -0.349268 trlgG= -0.440778 logG= -0.058521 TDE= -0.342568 Density= 0.213705 ETOT(band)= -0.233116 trlgG= -0.292013 logG= -0.028181 TDE= -0.170517 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023443 logG= -0.028208 Density= 0.321917 ETOT(band)= -0.349345 trlgG= -0.438481 logG= -0.028208 TDE= -0.170675 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.046575 logG= -0.057189 Density= 0.324239 ETOT(band)= -0.348231 trlgG= -0.437336 logG= -0.057189 TDE= -0.341622 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009845 tlogG= -0.046759 logG= -0.056605 Density= 0.322976 ETOT(band)= -0.348322 trlgG= -0.436143 logG= -0.056605 TDE= -0.341164 logGD-logG0= -0.005436 tlogG= -0.024033 logG= -0.029469 Density= 0.323898 ETOT(band)= -0.349995 trlgG= -0.441844 logG= -0.029469 TDE= -0.171248 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023840 logG= -0.029128 Density= 0.216428 ETOT(band)= -0.232608 trlgG= -0.293252 logG= -0.029128 TDE= -0.171197 logGD-logG0= -0.005451 tlogG= -0.023974 logG= -0.029425 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215807 ETOT(band)= -0.233314 trlgG= -0.294373 logG= -0.029425 TDE= -0.171199 logGD-logG0= -0.004819 tlogG= -0.024082 logG= -0.028901 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214310 ETOT(band)= -0.233603 trlgG= -0.293935 logG= -0.028901 TDE= -0.171003 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.023324 logG= -0.028435 Density= 0.321984 ETOT(band)= -0.349853 trlgG= -0.439324 logG= -0.028435 TDE= -0.170625 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023273 logG= -0.028521 Density= 0.215055 ETOT(band)= -0.232486 trlgG= -0.291024 logG= -0.028521 TDE= -0.170385 logGD-logG0= -0.005498 tlogG= -0.023760 logG= -0.029258 Density= 0.215576 ETOT(band)= -0.233160 trlgG= -0.293670 logG= -0.029258 TDE= -0.171022 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004733 tlogG= -0.023446 logG= -0.028179 Density= 0.214375 ETOT(band)= -0.232891 trlgG= -0.292143 logG= -0.028179 TDE= -0.170682 logGD-logG0= -0.005032 tlogG= -0.022367 logG= -0.027399 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214463 ETOT(band)= -0.231957 trlgG= -0.289247 logG= -0.027399 TDE= -0.169941 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009608 tlogG= -0.046858 logG= -0.056466 Density= 0.428300 ETOT(band)= -0.465150 trlgG= -0.581441 logG= -0.056466 TDE= -0.340763 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.048301 logG= -0.058605 Density= 0.429663 ETOT(band)= -0.467327 trlgG= -0.588229 logG= -0.058605 TDE= -0.341862 logGD-logG0= -0.005511 tlogG= -0.023437 logG= -0.028948 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215285 ETOT(band)= -0.232894 trlgG= -0.292523 logG= -0.028948 TDE= -0.170728 logGD-logG0= -0.009799 tlogG= -0.047989 logG= -0.057788 Density= 0.428422 ETOT(band)= -0.467184 trlgG= -0.587451 logG= -0.057788 TDE= -0.341811 logGD-logG0= -0.009110 tlogG= -0.048239 logG= -0.057349 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425967 ETOT(band)= -0.467310 trlgG= -0.586043 logG= -0.057349 TDE= -0.341334 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009664 tlogG= -0.046758 logG= -0.056422 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428490 ETOT(band)= -0.465880 trlgG= -0.584057 logG= -0.056422 TDE= -0.341183 logGD-logG0= -0.005269 tlogG= -0.024034 logG= -0.029303 logGD-logG0= -0.010409 tlogG= -0.047822 logG= -0.058231 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216534 ETOT(band)= -0.232809 trlgG= -0.293959 logG= -0.029303 TDE= -0.171337 Density= 0.428677 ETOT(band)= -0.467173 trlgG= -0.586780 logG= -0.058231 TDE= -0.341452 logGD-logG0= -0.010437 tlogG= -0.048377 logG= -0.058814 Density= 0.430384 ETOT(band)= -0.467348 trlgG= -0.588989 logG= -0.058814 TDE= -0.342054 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010471 tlogG= -0.048110 logG= -0.058582 Density= 0.429569 ETOT(band)= -0.467286 trlgG= -0.587857 logG= -0.058582 TDE= -0.341687 logGD-logG0= -0.004992 tlogG= -0.021386 logG= -0.026378 Density= 0.162759 ETOT(band)= -0.172670 trlgG= -0.215812 logG= -0.026378 TDE= -0.169661 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010814 tlogG= -0.047890 logG= -0.058704 Density= 0.431086 ETOT(band)= -0.466620 trlgG= -0.587969 logG= -0.058704 TDE= -0.342199 logGD-logG0= -0.010927 tlogG= -0.047845 logG= -0.058772 logGD-logG0= -0.009976 tlogG= -0.048007 logG= -0.057983 Density= 0.429501 ETOT(band)= -0.466986 trlgG= -0.587455 logG= -0.057983 TDE= -0.341804 Density= 0.431419 ETOT(band)= -0.466573 trlgG= -0.588338 logG= -0.058772 TDE= -0.342307 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009800 tlogG= -0.047803 logG= -0.057602 Density= 0.427084 ETOT(band)= -0.467364 trlgG= -0.586549 logG= -0.057602 TDE= -0.341338 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009754 tlogG= -0.047921 logG= -0.057675 Density= 0.427585 ETOT(band)= -0.466924 trlgG= -0.585416 logG= -0.057675 TDE= -0.341042 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010646 tlogG= -0.048229 logG= -0.058875 Density= 0.430489 ETOT(band)= -0.467181 trlgG= -0.588664 logG= -0.058875 TDE= -0.342180 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010852 tlogG= -0.048170 logG= -0.059022 Density= 0.431653 ETOT(band)= -0.466861 trlgG= -0.589334 logG= -0.059022 TDE= -0.342571 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010473 tlogG= -0.047087 logG= -0.057561 Density= 0.430244 ETOT(band)= -0.465545 trlgG= -0.583829 logG= -0.057561 TDE= -0.341152 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010091 tlogG= -0.046553 logG= -0.056644 Density= 0.429910 ETOT(band)= -0.464617 trlgG= -0.581155 logG= -0.056644 TDE= -0.340881 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010154 tlogG= -0.047711 logG= -0.057865 Density= 0.428989 ETOT(band)= -0.466524 trlgG= -0.585837 logG= -0.057865 TDE= -0.341499 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.023910 logG= -0.028823 Density= 0.213774 ETOT(band)= -0.233652 trlgG= -0.293532 logG= -0.028823 TDE= -0.170820 logGD-logG0= -0.005162 tlogG= -0.021963 logG= -0.027125 logGD-logG0= -0.004921 tlogG= -0.022405 logG= -0.027325 Density= 0.323144 ETOT(band)= -0.347292 trlgG= -0.433754 logG= -0.027325 TDE= -0.170024 Density= 0.216785 ETOT(band)= -0.229856 trlgG= -0.286341 logG= -0.027125 TDE= -0.170003 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010399 tlogG= -0.047727 logG= -0.058126 Density= 0.430364 ETOT(band)= -0.466197 trlgG= -0.585759 logG= -0.058126 TDE= -0.341595 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.021435 logG= -0.026509 logGD-logG0= -0.010873 tlogG= -0.047428 logG= -0.058301 Density= 0.217171 ETOT(band)= -0.228757 trlgG= -0.284147 logG= -0.026509 TDE= -0.169673 Density= 0.430826 ETOT(band)= -0.466189 trlgG= -0.586493 logG= -0.058301 TDE= -0.341815 logGD-logG0= -0.010136 tlogG= -0.044780 logG= -0.054916 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324537 ETOT(band)= -0.346016 trlgG= -0.431719 logG= -0.054916 TDE= -0.340329 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001246 tlogG= -0.005489 logG= -0.006735 Density= 0.081260 ETOT(band)= -0.086193 trlgG= -0.107315 logG= -0.006735 TDE= -0.042517 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005329 logG= -0.006555 Density= 0.081610 ETOT(band)= -0.085533 trlgG= -0.106165 logG= -0.006555 TDE= -0.042406 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.022403 logG= -0.027284 Density= 0.215214 ETOT(band)= -0.231488 trlgG= -0.288912 logG= -0.027284 TDE= -0.170030 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009986 tlogG= -0.044778 logG= -0.054764 Density= 0.431957 ETOT(band)= -0.461185 trlgG= -0.574412 logG= -0.054764 TDE= -0.339967 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.173343673014 eV TrLogG= -407.135797353522 eV Ratio to renormalize= 0.999196561031 rho-rho_expected= 0.017689870043 nargs= 1 argi=dmft2.def 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 74) Finished k-point number 149 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964180990572888 0.939508145766241 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002376 tlogG= -0.011489 logG= -0.013864 Density= 0.053784 ETOT(band)= -0.057959 trlgG= -0.072462 logG= -0.013864 TDE= -0.085213 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.024124 logG= -0.028749 logGD-logG0= -0.005037 tlogG= -0.022261 logG= -0.027298 Density= 0.108441 ETOT(band)= -0.115227 trlgG= -0.143895 logG= -0.027298 TDE= -0.170259 Density= 0.106499 ETOT(band)= -0.116906 trlgG= -0.146706 logG= -0.028749 TDE= -0.170658 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.023725 logG= -0.028805 Density= 0.107081 ETOT(band)= -0.116697 trlgG= -0.146201 logG= -0.028805 TDE= -0.170385 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004791 tlogG= -0.023768 logG= -0.028559 logGD-logG0= -0.005116 tlogG= -0.022823 logG= -0.027939 Density= 0.107076 ETOT(band)= -0.116609 trlgG= -0.146400 logG= -0.028559 TDE= -0.170828 Density= 0.108330 ETOT(band)= -0.115668 trlgG= -0.144936 logG= -0.027939 TDE= -0.170603 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.023975 logG= -0.028958 Density= 0.106861 ETOT(band)= -0.116875 trlgG= -0.146816 logG= -0.028958 TDE= -0.170738 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002509 tlogG= -0.010882 logG= -0.013391 Density= 0.054106 ETOT(band)= -0.057485 trlgG= -0.071510 logG= -0.013391 TDE= -0.084893 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001432 tlogG= -0.008069 logG= -0.009501 Density= 0.035351 ETOT(band)= -0.038991 trlgG= -0.048938 logG= -0.009501 TDE= -0.056930 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004402 tlogG= -0.024127 logG= -0.028529 Density= 0.106231 ETOT(band)= -0.116912 trlgG= -0.146690 logG= -0.028529 TDE= -0.170729 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000199 tlogG= -0.000856 logG= -0.001056 logGD-logG0= -0.004796 tlogG= -0.023065 logG= -0.027862 Density= 0.106980 ETOT(band)= -0.116253 trlgG= -0.145115 logG= -0.027862 TDE= -0.170192 Density= 0.004546 ETOT(band)= -0.004725 trlgG= -0.005851 logG= -0.001056 TDE= -0.007044 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023578 logG= -0.028396 Density= 0.106881 ETOT(band)= -0.116574 trlgG= -0.145867 logG= -0.028396 TDE= -0.170361 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002645 tlogG= -0.012074 logG= -0.014719 Density= 0.053808 ETOT(band)= -0.058424 trlgG= -0.073642 logG= -0.014719 TDE= -0.085550 logGD-logG0= -0.002367 tlogG= -0.011924 logG= -0.014291 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053610 ETOT(band)= -0.058286 trlgG= -0.073224 logG= -0.014291 TDE= -0.085461 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001514 tlogG= -0.007836 logG= -0.009350 Density= 0.035530 ETOT(band)= -0.038843 trlgG= -0.048576 logG= -0.009350 TDE= -0.056807 logGD-logG0= -0.002462 tlogG= -0.012123 logG= -0.014585 logGD-logG0= -0.002446 tlogG= -0.010472 logG= -0.012918 Density= 0.054415 ETOT(band)= -0.056975 trlgG= -0.070671 logG= -0.012918 TDE= -0.084680 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053632 ETOT(band)= -0.058431 trlgG= -0.073586 logG= -0.014585 TDE= -0.085541 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005120 tlogG= -0.022547 logG= -0.027667 Density= 0.108287 ETOT(band)= -0.115530 trlgG= -0.144499 logG= -0.027667 TDE= -0.170418 logGD-logG0= -0.001653 tlogG= -0.007022 logG= -0.008675 Density= 0.036222 ETOT(band)= -0.038061 trlgG= -0.047231 logG= -0.008675 TDE= -0.056481 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023517 logG= -0.028750 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108211 ETOT(band)= -0.116174 trlgG= -0.146218 logG= -0.028750 TDE= -0.171017 logGD-logG0= -0.002604 tlogG= -0.012027 logG= -0.014631 Density= 0.054175 ETOT(band)= -0.058195 trlgG= -0.073516 logG= -0.014631 TDE= -0.085694 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023071 logG= -0.028260 Density= 0.108218 ETOT(band)= -0.115902 trlgG= -0.145444 logG= -0.028260 TDE= -0.170736 logGD-logG0= -0.005239 tlogG= -0.023850 logG= -0.029089 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.024036 logG= -0.029263 Density= 0.108255 ETOT(band)= -0.116338 trlgG= -0.146755 logG= -0.029089 TDE= -0.171237 Density= 0.108304 ETOT(band)= -0.116414 trlgG= -0.147035 logG= -0.029263 TDE= -0.171366 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004430 tlogG= -0.024050 logG= -0.028479 Density= 0.106283 ETOT(band)= -0.116870 trlgG= -0.146577 logG= -0.028479 TDE= -0.170692 logGD-logG0= -0.002672 tlogG= -0.012030 logG= -0.014702 Density= 0.054023 ETOT(band)= -0.058312 trlgG= -0.073632 logG= -0.014702 TDE= -0.085664 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.024176 logG= -0.029254 Density= 0.107472 ETOT(band)= -0.116810 trlgG= -0.147061 logG= -0.029254 TDE= -0.170990 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004709 tlogG= -0.023281 logG= -0.027989 Density= 0.106846 ETOT(band)= -0.116381 trlgG= -0.145379 logG= -0.027989 TDE= -0.170262 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023957 logG= -0.029172 logGD-logG0= -0.005215 tlogG= -0.023692 logG= -0.028907 Density= 0.108324 ETOT(band)= -0.116350 trlgG= -0.146887 logG= -0.029172 TDE= -0.171320 Density= 0.108281 ETOT(band)= -0.116223 trlgG= -0.146465 logG= -0.028907 TDE= -0.171140 logGD-logG0= -0.005363 tlogG= -0.024156 logG= -0.029520 logGD-logG0= -0.005183 tlogG= -0.023304 logG= -0.028487 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.024050 logG= -0.029364 Density= 0.107536 ETOT(band)= -0.116833 trlgG= -0.147155 logG= -0.029364 TDE= -0.171005 Density= 0.107730 ETOT(band)= -0.116851 trlgG= -0.147432 logG= -0.029520 TDE= -0.171223 Density= 0.108274 ETOT(band)= -0.115998 trlgG= -0.145801 logG= -0.028487 TDE= -0.170894 logGD-logG0= -0.005370 tlogG= -0.023766 logG= -0.029137 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107328 ETOT(band)= -0.116775 trlgG= -0.146755 logG= -0.029137 TDE= -0.170730 logGD-logG0= -0.005409 tlogG= -0.024216 logG= -0.029625 Density= 0.107895 ETOT(band)= -0.116850 trlgG= -0.147625 logG= -0.029625 TDE= -0.171392 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004762 tlogG= -0.023747 logG= -0.028509 Density= 0.106705 ETOT(band)= -0.116717 trlgG= -0.146286 logG= -0.028509 TDE= -0.170580 logGD-logG0= -0.005098 tlogG= -0.022492 logG= -0.027590 Density= 0.107731 ETOT(band)= -0.115743 trlgG= -0.144365 logG= -0.027590 TDE= -0.170085 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023989 logG= -0.029384 logGD-logG0= -0.004915 tlogG= -0.023771 logG= -0.028686 Density= 0.107473 ETOT(band)= -0.116499 trlgG= -0.146319 logG= -0.028686 TDE= -0.170816 Density= 0.107837 ETOT(band)= -0.116720 trlgG= -0.147220 logG= -0.029384 TDE= -0.171199 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.022934 logG= -0.027884 Density= 0.107839 ETOT(band)= -0.115875 trlgG= -0.144856 logG= -0.027884 TDE= -0.170336 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.022961 logG= -0.028155 Density= 0.107710 ETOT(band)= -0.116077 trlgG= -0.145259 logG= -0.028155 TDE= -0.170405 logGD-logG0= -0.004964 tlogG= -0.024150 logG= -0.029114 Density= 0.107154 ETOT(band)= -0.116864 trlgG= -0.147078 logG= -0.029114 TDE= -0.170989 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023954 logG= -0.029317 Density= 0.107998 ETOT(band)= -0.116593 trlgG= -0.147120 logG= -0.029317 TDE= -0.171245 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.023284 logG= -0.028668 Density= 0.107773 ETOT(band)= -0.116328 trlgG= -0.146070 logG= -0.028668 TDE= -0.170734 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.022934 logG= -0.027760 logGD-logG0= -0.009952 tlogG= -0.048408 logG= -0.058359 Density= 0.107396 ETOT(band)= -0.116010 trlgG= -0.144973 logG= -0.027760 TDE= -0.170358 Density= 0.214593 ETOT(band)= -0.233693 trlgG= -0.294239 logG= -0.058359 TDE= -0.342071 logGD-logG0= -0.005352 tlogG= -0.024142 logG= -0.029494 Density= 0.108028 ETOT(band)= -0.116699 trlgG= -0.147416 logG= -0.029494 TDE= -0.171380 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005377 tlogG= -0.024171 logG= -0.029547 Density= 0.107970 ETOT(band)= -0.116765 trlgG= -0.147502 logG= -0.029547 TDE= -0.171384 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023664 logG= -0.029063 Density= 0.107886 ETOT(band)= -0.116493 trlgG= -0.146702 logG= -0.029063 TDE= -0.171026 logGD-logG0= -0.009644 tlogG= -0.045926 logG= -0.055569 Density= 0.215210 ETOT(band)= -0.231863 trlgG= -0.289857 logG= -0.055569 TDE= -0.340784 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009815 tlogG= -0.047321 logG= -0.057137 Density= 0.213974 ETOT(band)= -0.233271 trlgG= -0.292647 logG= -0.057137 TDE= -0.341396 logGD-logG0= -0.009273 tlogG= -0.047786 logG= -0.057059 Density= 0.213147 ETOT(band)= -0.233551 trlgG= -0.292715 logG= -0.057059 TDE= -0.341132 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009975 tlogG= -0.047317 logG= -0.057292 Density= 0.213987 ETOT(band)= -0.233314 trlgG= -0.292439 logG= -0.057292 TDE= -0.341039 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047611 logG= -0.057202 logGD-logG0= -0.009920 tlogG= -0.045753 logG= -0.055673 Density= 0.214569 ETOT(band)= -0.232198 trlgG= -0.290019 logG= -0.055673 TDE= -0.340525 Density= 0.214507 ETOT(band)= -0.233114 trlgG= -0.292791 logG= -0.057202 TDE= -0.341738 logGD-logG0= -0.009698 tlogG= -0.048092 logG= -0.057790 logGD-logG0= -0.010477 tlogG= -0.048150 logG= -0.058627 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010674 tlogG= -0.047914 logG= -0.058588 Density= 0.215255 ETOT(band)= -0.233541 trlgG= -0.294161 logG= -0.058627 TDE= -0.342053 logGD-logG0= -0.010095 tlogG= -0.048063 logG= -0.058158 Density= 0.214170 ETOT(band)= -0.233721 trlgG= -0.293916 logG= -0.058158 TDE= -0.341740 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213487 ETOT(band)= -0.233768 trlgG= -0.293351 logG= -0.057790 TDE= -0.341204 Density= 0.214945 ETOT(band)= -0.233625 trlgG= -0.294060 logG= -0.058588 TDE= -0.341837 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.048250 logG= -0.058880 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215252 ETOT(band)= -0.233686 trlgG= -0.294577 logG= -0.058880 TDE= -0.342214 logGD-logG0= -0.010537 tlogG= -0.047954 logG= -0.058491 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010710 tlogG= -0.048185 logG= -0.058895 Density= 0.215288 ETOT(band)= -0.233678 trlgG= -0.294605 logG= -0.058895 TDE= -0.342245 Density= 0.214846 ETOT(band)= -0.233616 trlgG= -0.293888 logG= -0.058491 TDE= -0.341713 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001721 tlogG= -0.007330 logG= -0.009051 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035877 ETOT(band)= -0.038502 trlgG= -0.047884 logG= -0.009051 TDE= -0.056586 logGD-logG0= -0.010221 tlogG= -0.048195 logG= -0.058416 Density= 0.214723 ETOT(band)= -0.233642 trlgG= -0.293992 logG= -0.058416 TDE= -0.341832 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010026 tlogG= -0.045817 logG= -0.055843 Density= 0.215342 ETOT(band)= -0.231941 trlgG= -0.289851 logG= -0.055843 TDE= -0.340570 logGD-logG0= -0.010774 tlogG= -0.047698 logG= -0.058472 logGD-logG0= -0.010336 tlogG= -0.046584 logG= -0.056920 Density= 0.215402 ETOT(band)= -0.232507 trlgG= -0.291473 logG= -0.056920 TDE= -0.341145 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.021777 logG= -0.026877 Density= 0.108023 ETOT(band)= -0.115128 trlgG= -0.143190 logG= -0.026877 TDE= -0.169768 Density= 0.215870 ETOT(band)= -0.233149 trlgG= -0.293967 logG= -0.058472 TDE= -0.342319 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.048110 logG= -0.058812 Density= 0.216061 ETOT(band)= -0.233270 trlgG= -0.294534 logG= -0.058812 TDE= -0.342640 logGD-logG0= -0.010731 tlogG= -0.047597 logG= -0.058328 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010559 tlogG= -0.047478 logG= -0.058037 Density= 0.215643 ETOT(band)= -0.233183 trlgG= -0.293721 logG= -0.058328 TDE= -0.342103 Density= 0.214461 ETOT(band)= -0.233507 trlgG= -0.293144 logG= -0.058037 TDE= -0.341233 logGD-logG0= -0.010333 tlogG= -0.047826 logG= -0.058159 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214153 ETOT(band)= -0.233707 trlgG= -0.293668 logG= -0.058159 TDE= -0.341482 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010822 tlogG= -0.048319 logG= -0.059141 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215597 ETOT(band)= -0.233711 trlgG= -0.295048 logG= -0.059141 TDE= -0.342596 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010755 tlogG= -0.048058 logG= -0.058813 Density= 0.215935 ETOT(band)= -0.233339 trlgG= -0.294532 logG= -0.058813 TDE= -0.342574 logGD-logG0= -0.010773 tlogG= -0.047055 logG= -0.057828 Density= 0.215608 ETOT(band)= -0.232905 trlgG= -0.292920 logG= -0.057828 TDE= -0.341786 logGD-logG0= -0.009945 tlogG= -0.047390 logG= -0.057335 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214673 ETOT(band)= -0.233079 trlgG= -0.292568 logG= -0.057335 TDE= -0.341464 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010248 tlogG= -0.047323 logG= -0.057571 Density= 0.215335 ETOT(band)= -0.232908 trlgG= -0.292488 logG= -0.057571 TDE= -0.341476 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.021656 logG= -0.026645 Density= 0.108593 ETOT(band)= -0.114679 trlgG= -0.142772 logG= -0.026645 TDE= -0.169864 logGD-logG0= -0.005158 tlogG= -0.021900 logG= -0.027058 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107883 ETOT(band)= -0.115318 trlgG= -0.143495 logG= -0.027058 TDE= -0.169823 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.021081 logG= -0.025991 Density= 0.108784 ETOT(band)= -0.114095 trlgG= -0.141620 logG= -0.025991 TDE= -0.169462 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005073 tlogG= -0.021966 logG= -0.027039 Density= 0.108406 ETOT(band)= -0.115041 trlgG= -0.143447 logG= -0.027039 TDE= -0.170052 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001257 tlogG= -0.005642 logG= -0.006900 Density= 0.080905 ETOT(band)= -0.086808 trlgG= -0.108559 logG= -0.006900 TDE= -0.042618 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010195 tlogG= -0.043557 logG= -0.053752 Density= 0.216451 ETOT(band)= -0.230056 trlgG= -0.286365 logG= -0.053752 TDE= -0.339724 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005197 tlogG= -0.022528 logG= -0.027725 Density= 0.216541 ETOT(band)= -0.230876 trlgG= -0.288484 logG= -0.027725 TDE= -0.170358 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004653 tlogG= -0.024051 logG= -0.028704 Density= 0.213030 ETOT(band)= -0.233784 trlgG= -0.293320 logG= -0.028704 TDE= -0.170626 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.023056 logG= -0.028315 Density= 0.216394 ETOT(band)= -0.231673 trlgG= -0.290465 logG= -0.028315 TDE= -0.170690 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023452 logG= -0.028183 Density= 0.214382 ETOT(band)= -0.232917 trlgG= -0.292181 logG= -0.028183 TDE= -0.170698 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023917 logG= -0.028828 Density= 0.213781 ETOT(band)= -0.233678 trlgG= -0.293571 logG= -0.028828 TDE= -0.170836 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023965 logG= -0.028957 Density= 0.213996 ETOT(band)= -0.233543 trlgG= -0.292831 logG= -0.028957 TDE= -0.170580 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001245 tlogG= -0.005491 logG= -0.006736 Density= 0.081263 ETOT(band)= -0.086202 trlgG= -0.107329 logG= -0.006736 TDE= -0.042521 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004376 tlogG= -0.024207 logG= -0.028582 Density= 0.212400 ETOT(band)= -0.233873 trlgG= -0.293502 logG= -0.028582 TDE= -0.170768 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023968 logG= -0.028648 Density= 0.213500 ETOT(band)= -0.233383 trlgG= -0.292332 logG= -0.028648 TDE= -0.170578 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001299 tlogG= -0.005961 logG= -0.007259 Density= 0.080896 ETOT(band)= -0.087489 trlgG= -0.110310 logG= -0.007259 TDE= -0.042813 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001226 tlogG= -0.005330 logG= -0.006556 Density= 0.081614 ETOT(band)= -0.085542 trlgG= -0.106178 logG= -0.006556 TDE= -0.042410 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001294 tlogG= -0.005877 logG= -0.007171 Density= 0.080716 ETOT(band)= -0.087449 trlgG= -0.110114 logG= -0.007171 TDE= -0.042759 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005770 logG= -0.007049 Density= 0.080705 ETOT(band)= -0.087233 trlgG= -0.109559 logG= -0.007049 TDE= -0.042694 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005194 logG= -0.006402 Density= 0.062596 ETOT(band)= -0.067413 trlgG= -0.084167 logG= -0.006402 TDE= -0.042309 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001297 tlogG= -0.006005 logG= -0.007303 Density= 0.081120 ETOT(band)= -0.087398 trlgG= -0.110369 logG= -0.007303 TDE= -0.042843 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001720 tlogG= -0.007147 logG= -0.008867 Density= 0.072285 ETOT(band)= -0.076345 trlgG= -0.094806 logG= -0.008867 TDE= -0.056554 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001459 tlogG= -0.007990 logG= -0.009449 Density= 0.070942 ETOT(band)= -0.077786 trlgG= -0.097393 logG= -0.009449 TDE= -0.056892 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.023884 logG= -0.029225 Density= 0.215510 ETOT(band)= -0.233335 trlgG= -0.294034 logG= -0.029225 TDE= -0.171210 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005030 tlogG= -0.022374 logG= -0.027404 Density= 0.214470 ETOT(band)= -0.231984 trlgG= -0.289285 logG= -0.027404 TDE= -0.169957 logGD-logG0= -0.005309 tlogG= -0.024086 logG= -0.029394 Density= 0.215855 ETOT(band)= -0.233437 trlgG= -0.294684 logG= -0.029394 TDE= -0.171362 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.024084 logG= -0.029357 Density= 0.216510 ETOT(band)= -0.232937 trlgG= -0.294227 logG= -0.029357 TDE= -0.171381 logGD-logG0= -0.004851 tlogG= -0.024088 logG= -0.028938 Density= 0.321855 ETOT(band)= -0.350432 trlgG= -0.441114 logG= -0.028938 TDE= -0.171015 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023930 logG= -0.029084 Density= 0.215669 ETOT(band)= -0.233334 trlgG= -0.294129 logG= -0.029084 TDE= -0.170895 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023571 logG= -0.028901 Density= 0.215396 ETOT(band)= -0.232896 trlgG= -0.292767 logG= -0.028901 TDE= -0.170953 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.024042 logG= -0.029307 Density= 0.216543 ETOT(band)= -0.232834 trlgG= -0.293996 logG= -0.029307 TDE= -0.171354 logGD-logG0= -0.010617 tlogG= -0.047407 logG= -0.058024 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004511 tlogG= -0.023815 logG= -0.028327 Density= 0.213310 ETOT(band)= -0.233104 trlgG= -0.291593 logG= -0.028327 TDE= -0.170571 logGD-logG0= -0.010574 tlogG= -0.047956 logG= -0.058530 logGD-logG0= -0.004763 tlogG= -0.023450 logG= -0.028213 Density= 0.321928 ETOT(band)= -0.349384 trlgG= -0.438538 logG= -0.028213 TDE= -0.170691 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324378 ETOT(band)= -0.348931 trlgG= -0.439482 logG= -0.058024 TDE= -0.342210 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.024038 logG= -0.029194 logGD-logG0= -0.010336 tlogG= -0.045803 logG= -0.056140 logGD-logG0= -0.004568 tlogG= -0.023662 logG= -0.028230 Density= 0.212845 ETOT(band)= -0.233502 trlgG= -0.292561 logG= -0.028230 TDE= -0.170487 Density= 0.214536 ETOT(band)= -0.233643 trlgG= -0.293750 logG= -0.029194 TDE= -0.170852 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324588 ETOT(band)= -0.349306 trlgG= -0.440834 logG= -0.058530 TDE= -0.342601 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324306 ETOT(band)= -0.347322 trlgG= -0.434776 logG= -0.056140 TDE= -0.341035 logGD-logG0= -0.005123 tlogG= -0.024245 logG= -0.029368 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322715 ETOT(band)= -0.350565 trlgG= -0.441790 logG= -0.029368 TDE= -0.171023 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.023847 logG= -0.029132 logGD-logG0= -0.005097 tlogG= -0.024239 logG= -0.029336 Density= 0.216437 ETOT(band)= -0.232632 trlgG= -0.293289 logG= -0.029132 TDE= -0.171213 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.023501 logG= -0.028791 Density= 0.214928 ETOT(band)= -0.233725 trlgG= -0.294375 logG= -0.029336 TDE= -0.171027 Density= 0.216362 ETOT(band)= -0.232249 trlgG= -0.292080 logG= -0.028791 TDE= -0.170975 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005448 tlogG= -0.023981 logG= -0.029429 Density= 0.215816 ETOT(band)= -0.233339 trlgG= -0.294411 logG= -0.029429 TDE= -0.171216 logGD-logG0= -0.010610 tlogG= -0.046589 logG= -0.057198 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324252 ETOT(band)= -0.348269 trlgG= -0.437393 logG= -0.057198 TDE= -0.341655 logGD-logG0= -0.001610 tlogG= -0.006905 logG= -0.008515 Density= 0.040874 ETOT(band)= -0.042603 trlgG= -0.052784 logG= -0.008515 TDE= -0.056395 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004861 tlogG= -0.023325 logG= -0.028186 Density= 0.213712 ETOT(band)= -0.233143 trlgG= -0.292052 logG= -0.028186 TDE= -0.170533 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010850 tlogG= -0.048211 logG= -0.059061 Density= 0.323506 ETOT(band)= -0.350348 trlgG= -0.442144 logG= -0.059061 TDE= -0.342586 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005400 tlogG= -0.024205 logG= -0.029606 logGD-logG0= -0.004818 tlogG= -0.024088 logG= -0.028906 logGD-logG0= -0.005049 tlogG= -0.022984 logG= -0.028033 Density= 0.214997 ETOT(band)= -0.231955 trlgG= -0.289540 logG= -0.028033 TDE= -0.170223 Density= 0.215886 ETOT(band)= -0.233593 trlgG= -0.295098 logG= -0.029606 TDE= -0.171392 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214317 ETOT(band)= -0.233629 trlgG= -0.293973 logG= -0.028906 TDE= -0.171019 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009842 tlogG= -0.046772 logG= -0.056614 Density= 0.322988 ETOT(band)= -0.348360 trlgG= -0.436199 logG= -0.056614 TDE= -0.341195 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023330 logG= -0.028439 logGD-logG0= -0.005495 tlogG= -0.023768 logG= -0.029263 Density= 0.215585 ETOT(band)= -0.233185 trlgG= -0.293708 logG= -0.029263 TDE= -0.171038 Density= 0.321996 ETOT(band)= -0.349891 trlgG= -0.439382 logG= -0.028439 TDE= -0.170641 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.024041 logG= -0.029474 Density= 0.323912 ETOT(band)= -0.350033 trlgG= -0.441902 logG= -0.029474 TDE= -0.171264 logGD-logG0= -0.005511 tlogG= -0.023442 logG= -0.028953 logGD-logG0= -0.001601 tlogG= -0.007613 logG= -0.009214 Density= 0.071566 ETOT(band)= -0.077196 trlgG= -0.096104 logG= -0.009214 TDE= -0.056668 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215293 ETOT(band)= -0.232919 trlgG= -0.292562 logG= -0.028953 TDE= -0.170745 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023278 logG= -0.028525 logGD-logG0= -0.009109 tlogG= -0.048250 logG= -0.057359 Density= 0.215063 ETOT(band)= -0.232512 trlgG= -0.291063 logG= -0.028525 TDE= -0.170402 Density= 0.425980 ETOT(band)= -0.467364 trlgG= -0.586119 logG= -0.057359 TDE= -0.341365 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009661 tlogG= -0.046771 logG= -0.056431 Density= 0.428504 ETOT(band)= -0.465933 trlgG= -0.584133 logG= -0.056431 TDE= -0.341215 logGD-logG0= -0.005327 tlogG= -0.024170 logG= -0.029497 Density= 0.323324 ETOT(band)= -0.350551 trlgG= -0.442442 logG= -0.029497 TDE= -0.171205 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.048313 logG= -0.058614 logGD-logG0= -0.010644 tlogG= -0.048241 logG= -0.058884 logGD-logG0= -0.009796 tlogG= -0.048002 logG= -0.057798 Density= 0.430506 ETOT(band)= -0.467232 trlgG= -0.588742 logG= -0.058884 TDE= -0.342214 Density= 0.429680 ETOT(band)= -0.467378 trlgG= -0.588306 logG= -0.058614 TDE= -0.341894 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428437 ETOT(band)= -0.467237 trlgG= -0.587527 logG= -0.057798 TDE= -0.341844 logGD-logG0= -0.010434 tlogG= -0.048389 logG= -0.058824 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430401 ETOT(band)= -0.467399 trlgG= -0.589067 logG= -0.058824 TDE= -0.342088 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009607 tlogG= -0.046868 logG= -0.056475 Density= 0.428314 ETOT(band)= -0.465203 trlgG= -0.581518 logG= -0.056475 TDE= -0.340795 logGD-logG0= -0.005003 tlogG= -0.022549 logG= -0.027552 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010812 tlogG= -0.047902 logG= -0.058714 Density= 0.431103 ETOT(band)= -0.466671 trlgG= -0.588047 logG= -0.058714 TDE= -0.342233 logGD-logG0= -0.010407 tlogG= -0.047833 logG= -0.058240 logGD-logG0= -0.010469 tlogG= -0.048123 logG= -0.058591 Density= 0.429586 ETOT(band)= -0.467337 trlgG= -0.587935 logG= -0.058591 TDE= -0.341720 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428692 ETOT(band)= -0.467225 trlgG= -0.586857 logG= -0.058240 TDE= -0.341484 logGD-logG0= -0.009754 tlogG= -0.047931 logG= -0.057685 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427599 ETOT(band)= -0.466977 trlgG= -0.585493 logG= -0.057685 TDE= -0.341075 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010921 tlogG= -0.047860 logG= -0.058781 logGD-logG0= -0.004990 tlogG= -0.021393 logG= -0.026383 Density= 0.162766 ETOT(band)= -0.172689 trlgG= -0.215839 logG= -0.026383 TDE= -0.169677 Density= 0.431437 ETOT(band)= -0.466623 trlgG= -0.588415 logG= -0.058781 TDE= -0.342340 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009800 tlogG= -0.047812 logG= -0.057612 Density= 0.215221 ETOT(band)= -0.231223 trlgG= -0.287901 logG= -0.027552 TDE= -0.169971 Density= 0.427099 ETOT(band)= -0.467417 trlgG= -0.586628 logG= -0.057612 TDE= -0.341371 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.048019 logG= -0.057993 Density= 0.429517 ETOT(band)= -0.467038 trlgG= -0.587530 logG= -0.057993 TDE= -0.341836 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.021297 logG= -0.026328 Density= 0.216519 ETOT(band)= -0.229628 trlgG= -0.285424 logG= -0.026328 TDE= -0.169596 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010471 tlogG= -0.047099 logG= -0.057570 Density= 0.430260 ETOT(band)= -0.465596 trlgG= -0.583907 logG= -0.057570 TDE= -0.341186 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010152 tlogG= -0.047723 logG= -0.057875 Density= 0.429004 ETOT(band)= -0.466576 trlgG= -0.585913 logG= -0.057875 TDE= -0.341531 logGD-logG0= -0.010847 tlogG= -0.048185 logG= -0.059032 logGD-logG0= -0.010088 tlogG= -0.046565 logG= -0.056653 Density= 0.429925 ETOT(band)= -0.464669 trlgG= -0.581231 logG= -0.056653 TDE= -0.340913 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431671 ETOT(band)= -0.466911 trlgG= -0.589411 logG= -0.059032 TDE= -0.342605 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.022411 logG= -0.027330 Density= 0.323156 ETOT(band)= -0.347330 trlgG= -0.433810 logG= -0.027330 TDE= -0.170040 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010870 tlogG= -0.047440 logG= -0.058310 Density= 0.430843 ETOT(band)= -0.466240 trlgG= -0.586571 logG= -0.058310 TDE= -0.341849 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047739 logG= -0.058135 Density= 0.430380 ETOT(band)= -0.466248 trlgG= -0.585837 logG= -0.058135 TDE= -0.341629 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022409 logG= -0.027288 Density= 0.215222 ETOT(band)= -0.231514 trlgG= -0.288949 logG= -0.027288 TDE= -0.170046 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010133 tlogG= -0.044792 logG= -0.054925 Density= 0.324549 ETOT(band)= -0.346054 trlgG= -0.431775 logG= -0.054925 TDE= -0.340361 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005160 tlogG= -0.021969 logG= -0.027129 Density= 0.216794 ETOT(band)= -0.229881 trlgG= -0.286378 logG= -0.027129 TDE= -0.170019 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005072 tlogG= -0.021442 logG= -0.026514 Density= 0.217179 ETOT(band)= -0.228782 trlgG= -0.284184 logG= -0.026514 TDE= -0.169689 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009983 tlogG= -0.044790 logG= -0.054773 Density= 0.431973 ETOT(band)= -0.461236 trlgG= -0.574486 logG= -0.054773 TDE= -0.339999 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.209048233911 eV TrLogG= -407.194526765496 eV Ratio to renormalize= 0.999159723907 rho-rho_expected= 0.018501620521 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 55) Finished k-point number 112 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 79) Finished k-point number 160 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964233515962667 0.939576948586083 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001514 tlogG= -0.007837 logG= -0.009351 Density= 0.035530 ETOT(band)= -0.038845 trlgG= -0.048578 logG= -0.009351 TDE= -0.056810 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.023283 logG= -0.027991 Density= 0.106847 ETOT(band)= -0.116386 trlgG= -0.145386 logG= -0.027991 TDE= -0.170268 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.022494 logG= -0.027592 Density= 0.107732 ETOT(band)= -0.115748 trlgG= -0.144372 logG= -0.027592 TDE= -0.170092 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001653 tlogG= -0.007023 logG= -0.008676 Density= 0.036222 ETOT(band)= -0.038062 trlgG= -0.047234 logG= -0.008676 TDE= -0.056483 logGD-logG0= -0.001721 tlogG= -0.007330 logG= -0.009052 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035877 ETOT(band)= -0.038503 trlgG= -0.047886 logG= -0.009052 TDE= -0.056588 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004988 tlogG= -0.021659 logG= -0.026646 Density= 0.108594 ETOT(band)= -0.114683 trlgG= -0.142779 logG= -0.026646 TDE= -0.169871 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.021084 logG= -0.025992 Density= 0.108786 ETOT(band)= -0.114100 trlgG= -0.141627 logG= -0.025992 TDE= -0.169468 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005157 tlogG= -0.021903 logG= -0.027060 Density= 0.107885 ETOT(band)= -0.115323 trlgG= -0.143502 logG= -0.027060 TDE= -0.169829 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002367 tlogG= -0.011925 logG= -0.014292 Density= 0.053611 ETOT(band)= -0.058289 trlgG= -0.073227 logG= -0.014292 TDE= -0.085465 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.024126 logG= -0.028751 Density= 0.106500 ETOT(band)= -0.116911 trlgG= -0.146713 logG= -0.028751 TDE= -0.170664 logGD-logG0= -0.005036 tlogG= -0.022263 logG= -0.027300 Density= 0.108442 ETOT(band)= -0.115231 trlgG= -0.143902 logG= -0.027300 TDE= -0.170265 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023768 logG= -0.029138 Density= 0.107330 ETOT(band)= -0.116780 trlgG= -0.146762 logG= -0.029138 TDE= -0.170736 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.023727 logG= -0.028807 Density= 0.107083 ETOT(band)= -0.116702 trlgG= -0.146209 logG= -0.028807 TDE= -0.170392 logGD-logG0= -0.004761 tlogG= -0.023749 logG= -0.028511 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106707 ETOT(band)= -0.116722 trlgG= -0.146293 logG= -0.028511 TDE= -0.170587 logGD-logG0= -0.005182 tlogG= -0.023306 logG= -0.028488 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108276 ETOT(band)= -0.116003 trlgG= -0.145808 logG= -0.028488 TDE= -0.170900 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004791 tlogG= -0.023770 logG= -0.028561 Density= 0.107077 ETOT(band)= -0.116614 trlgG= -0.146407 logG= -0.028561 TDE= -0.170834 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002645 tlogG= -0.012075 logG= -0.014720 Density= 0.053809 ETOT(band)= -0.058426 trlgG= -0.073646 logG= -0.014720 TDE= -0.085553 logGD-logG0= -0.000199 tlogG= -0.000857 logG= -0.001056 Density= 0.004546 ETOT(band)= -0.004725 trlgG= -0.005851 logG= -0.001056 TDE= -0.007044 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002375 tlogG= -0.011490 logG= -0.013865 Density= 0.053785 ETOT(band)= -0.057961 trlgG= -0.072466 logG= -0.013865 TDE= -0.085216 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002462 tlogG= -0.012124 logG= -0.014586 Density= 0.053633 ETOT(band)= -0.058433 trlgG= -0.073590 logG= -0.014586 TDE= -0.085544 logGD-logG0= -0.001432 tlogG= -0.008070 logG= -0.009501 Density= 0.035352 ETOT(band)= -0.038993 trlgG= -0.048940 logG= -0.009501 TDE= -0.056932 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012028 logG= -0.014632 Density= 0.054176 ETOT(band)= -0.058198 trlgG= -0.073520 logG= -0.014632 TDE= -0.085697 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004402 tlogG= -0.024129 logG= -0.028531 logGD-logG0= -0.005232 tlogG= -0.023520 logG= -0.028752 Density= 0.108213 ETOT(band)= -0.116179 trlgG= -0.146226 logG= -0.028752 TDE= -0.171023 Density= 0.106232 ETOT(band)= -0.116917 trlgG= -0.146697 logG= -0.028531 TDE= -0.170735 logGD-logG0= -0.005226 tlogG= -0.024038 logG= -0.029265 logGD-logG0= -0.005238 tlogG= -0.023852 logG= -0.029091 logGD-logG0= -0.002672 tlogG= -0.012031 logG= -0.014703 Density= 0.054024 ETOT(band)= -0.058315 trlgG= -0.073636 logG= -0.014703 TDE= -0.085667 Density= 0.108306 ETOT(band)= -0.116419 trlgG= -0.147042 logG= -0.029265 TDE= -0.171373 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108257 ETOT(band)= -0.116343 trlgG= -0.146763 logG= -0.029091 TDE= -0.171243 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.022550 logG= -0.027668 logGD-logG0= -0.005188 tlogG= -0.023074 logG= -0.028261 Density= 0.108219 ETOT(band)= -0.115907 trlgG= -0.145451 logG= -0.028261 TDE= -0.170742 logGD-logG0= -0.005363 tlogG= -0.024159 logG= -0.029521 Density= 0.108289 ETOT(band)= -0.115534 trlgG= -0.144506 logG= -0.027668 TDE= -0.170424 Density= 0.107732 ETOT(band)= -0.116856 trlgG= -0.147440 logG= -0.029521 TDE= -0.171230 logGD-logG0= -0.004429 tlogG= -0.024052 logG= -0.028481 Density= 0.106284 ETOT(band)= -0.116875 trlgG= -0.146585 logG= -0.028481 TDE= -0.170698 logGD-logG0= -0.004949 tlogG= -0.022936 logG= -0.027885 Density= 0.107841 ETOT(band)= -0.115880 trlgG= -0.144863 logG= -0.027885 TDE= -0.170343 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.024173 logG= -0.029549 Density= 0.107972 ETOT(band)= -0.116770 trlgG= -0.147510 logG= -0.029549 TDE= -0.171391 logGD-logG0= -0.005213 tlogG= -0.023960 logG= -0.029173 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.024219 logG= -0.029627 Density= 0.107897 ETOT(band)= -0.116855 trlgG= -0.147632 logG= -0.029627 TDE= -0.171398 Density= 0.108326 ETOT(band)= -0.116355 trlgG= -0.146894 logG= -0.029173 TDE= -0.171326 logGD-logG0= -0.005077 tlogG= -0.024178 logG= -0.029255 Density= 0.107474 ETOT(band)= -0.116815 trlgG= -0.147068 logG= -0.029255 TDE= -0.170997 logGD-logG0= -0.005214 tlogG= -0.023695 logG= -0.028909 Density= 0.108283 ETOT(band)= -0.116227 trlgG= -0.146472 logG= -0.028909 TDE= -0.171147 logGD-logG0= -0.004914 tlogG= -0.023774 logG= -0.028688 Density= 0.107474 ETOT(band)= -0.116504 trlgG= -0.146326 logG= -0.028688 TDE= -0.170822 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.022963 logG= -0.028157 logGD-logG0= -0.005395 tlogG= -0.023991 logG= -0.029386 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107839 ETOT(band)= -0.116725 trlgG= -0.147228 logG= -0.029386 TDE= -0.171206 Density= 0.107712 ETOT(band)= -0.116082 trlgG= -0.145267 logG= -0.028157 TDE= -0.170411 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022826 logG= -0.027941 Density= 0.108332 ETOT(band)= -0.115673 trlgG= -0.144943 logG= -0.027941 TDE= -0.170610 logGD-logG0= -0.004983 tlogG= -0.023977 logG= -0.028960 logGD-logG0= -0.004818 tlogG= -0.023580 logG= -0.028398 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106882 ETOT(band)= -0.116579 trlgG= -0.145874 logG= -0.028398 TDE= -0.170367 logGD-logG0= -0.004964 tlogG= -0.024152 logG= -0.029116 Density= 0.106863 ETOT(band)= -0.116880 trlgG= -0.146824 logG= -0.028960 TDE= -0.170745 Density= 0.107156 ETOT(band)= -0.116869 trlgG= -0.147085 logG= -0.029116 TDE= -0.170995 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024052 logG= -0.029366 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107538 ETOT(band)= -0.116838 trlgG= -0.147162 logG= -0.029366 TDE= -0.171011 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023957 logG= -0.029319 logGD-logG0= -0.004826 tlogG= -0.022936 logG= -0.027761 Density= 0.108000 ETOT(band)= -0.116597 trlgG= -0.147127 logG= -0.029319 TDE= -0.171252 Density= 0.107398 ETOT(band)= -0.116015 trlgG= -0.144980 logG= -0.027761 TDE= -0.170364 logGD-logG0= -0.009951 tlogG= -0.048412 logG= -0.058363 Density= 0.214596 ETOT(band)= -0.233703 trlgG= -0.294253 logG= -0.058363 TDE= -0.342083 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009642 tlogG= -0.045930 logG= -0.055573 Density= 0.215212 ETOT(band)= -0.231873 trlgG= -0.289871 logG= -0.055573 TDE= -0.340796 logGD-logG0= -0.009272 tlogG= -0.047790 logG= -0.057062 logGD-logG0= -0.005384 tlogG= -0.023286 logG= -0.028670 Density= 0.213149 ETOT(band)= -0.233561 trlgG= -0.292730 logG= -0.057062 TDE= -0.341145 logGD-logG0= -0.005398 tlogG= -0.023667 logG= -0.029065 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107888 ETOT(band)= -0.116498 trlgG= -0.146709 logG= -0.029065 TDE= -0.171033 Density= 0.107775 ETOT(band)= -0.116333 trlgG= -0.146077 logG= -0.028670 TDE= -0.170740 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001459 tlogG= -0.007991 logG= -0.009450 Density= 0.070943 ETOT(band)= -0.077789 trlgG= -0.097398 logG= -0.009450 TDE= -0.056894 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.024145 logG= -0.029496 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108030 ETOT(band)= -0.116704 trlgG= -0.147423 logG= -0.029496 TDE= -0.171386 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009918 tlogG= -0.045758 logG= -0.055676 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009814 tlogG= -0.047326 logG= -0.057140 Density= 0.214572 ETOT(band)= -0.232207 trlgG= -0.290033 logG= -0.055676 TDE= -0.340538 Density= 0.213977 ETOT(band)= -0.233281 trlgG= -0.292662 logG= -0.057140 TDE= -0.341408 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009589 tlogG= -0.047616 logG= -0.057205 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214510 ETOT(band)= -0.233124 trlgG= -0.292805 logG= -0.057205 TDE= -0.341750 logGD-logG0= -0.010094 tlogG= -0.048068 logG= -0.058162 Density= 0.214173 ETOT(band)= -0.233731 trlgG= -0.293930 logG= -0.058162 TDE= -0.341752 logGD-logG0= -0.009698 tlogG= -0.048096 logG= -0.057794 logGD-logG0= -0.010673 tlogG= -0.047918 logG= -0.058592 Density= 0.213490 ETOT(band)= -0.233778 trlgG= -0.293365 logG= -0.057794 TDE= -0.341217 logGD-logG0= -0.002446 tlogG= -0.010473 logG= -0.012919 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054415 ETOT(band)= -0.056977 trlgG= -0.070675 logG= -0.012919 TDE= -0.084683 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.048155 logG= -0.058630 logGD-logG0= -0.010630 tlogG= -0.048254 logG= -0.058884 Density= 0.215255 ETOT(band)= -0.233696 trlgG= -0.294592 logG= -0.058884 TDE= -0.342228 logGD-logG0= -0.009975 tlogG= -0.047321 logG= -0.057296 Density= 0.214949 ETOT(band)= -0.233635 trlgG= -0.294074 logG= -0.058592 TDE= -0.341850 Density= 0.213990 ETOT(band)= -0.233324 trlgG= -0.292454 logG= -0.057296 TDE= -0.341051 Density= 0.215258 ETOT(band)= -0.233551 trlgG= -0.294176 logG= -0.058630 TDE= -0.342066 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.048190 logG= -0.058899 Density= 0.215291 ETOT(band)= -0.233688 trlgG= -0.294619 logG= -0.058899 TDE= -0.342258 logGD-logG0= -0.010219 tlogG= -0.048200 logG= -0.058419 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214726 ETOT(band)= -0.233652 trlgG= -0.294007 logG= -0.058419 TDE= -0.341845 logGD-logG0= -0.010772 tlogG= -0.047703 logG= -0.058475 Density= 0.215874 ETOT(band)= -0.233159 trlgG= -0.293982 logG= -0.058475 TDE= -0.342332 logGD-logG0= -0.010025 tlogG= -0.045821 logG= -0.055846 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010536 tlogG= -0.047959 logG= -0.058495 Density= 0.214850 ETOT(band)= -0.233626 trlgG= -0.293903 logG= -0.058495 TDE= -0.341726 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010559 tlogG= -0.047482 logG= -0.058041 Density= 0.214464 ETOT(band)= -0.233517 trlgG= -0.293159 logG= -0.058041 TDE= -0.341246 Density= 0.215345 ETOT(band)= -0.231951 trlgG= -0.289865 logG= -0.055846 TDE= -0.340582 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004511 tlogG= -0.023817 logG= -0.028328 Density= 0.213312 ETOT(band)= -0.233114 trlgG= -0.291608 logG= -0.028328 TDE= -0.170577 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010700 tlogG= -0.048115 logG= -0.058815 logGD-logG0= -0.010332 tlogG= -0.047830 logG= -0.058162 logGD-logG0= -0.010335 tlogG= -0.046588 logG= -0.056923 Density= 0.214156 ETOT(band)= -0.233717 trlgG= -0.293682 logG= -0.058162 TDE= -0.341495 Density= 0.216065 ETOT(band)= -0.233280 trlgG= -0.294548 logG= -0.058815 TDE= -0.342653 Density= 0.215405 ETOT(band)= -0.232517 trlgG= -0.291488 logG= -0.056923 TDE= -0.341158 logGD-logG0= -0.010821 tlogG= -0.048323 logG= -0.059145 Density= 0.215601 ETOT(band)= -0.233720 trlgG= -0.295063 logG= -0.059145 TDE= -0.342609 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010730 tlogG= -0.047601 logG= -0.058332 Density= 0.215646 ETOT(band)= -0.233193 trlgG= -0.293735 logG= -0.058332 TDE= -0.342116 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010753 tlogG= -0.048064 logG= -0.058817 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215939 ETOT(band)= -0.233349 trlgG= -0.294546 logG= -0.058817 TDE= -0.342587 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022986 logG= -0.028035 Density= 0.215000 ETOT(band)= -0.231964 trlgG= -0.289555 logG= -0.028035 TDE= -0.170229 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010247 tlogG= -0.047327 logG= -0.057574 Density= 0.215338 ETOT(band)= -0.232918 trlgG= -0.292503 logG= -0.057574 TDE= -0.341489 logGD-logG0= -0.002508 tlogG= -0.010884 logG= -0.013392 logGD-logG0= -0.010772 tlogG= -0.047059 logG= -0.057831 Density= 0.054107 ETOT(band)= -0.057488 trlgG= -0.071513 logG= -0.013392 TDE= -0.084896 Density= 0.215611 ETOT(band)= -0.232915 trlgG= -0.292935 logG= -0.057831 TDE= -0.341799 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023067 logG= -0.027863 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106981 ETOT(band)= -0.116258 trlgG= -0.145122 logG= -0.027863 TDE= -0.170198 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.047394 logG= -0.057339 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214676 ETOT(band)= -0.233089 trlgG= -0.292583 logG= -0.057339 TDE= -0.341476 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.021968 logG= -0.027041 Density= 0.108407 ETOT(band)= -0.115046 trlgG= -0.143454 logG= -0.027041 TDE= -0.170058 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001720 tlogG= -0.007148 logG= -0.008867 Density= 0.072286 ETOT(band)= -0.076348 trlgG= -0.094811 logG= -0.008867 TDE= -0.056556 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005002 tlogG= -0.022551 logG= -0.027553 Density= 0.215224 ETOT(band)= -0.231232 trlgG= -0.287916 logG= -0.027553 TDE= -0.169977 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001600 tlogG= -0.007614 logG= -0.009214 Density= 0.071567 ETOT(band)= -0.077200 trlgG= -0.096109 logG= -0.009214 TDE= -0.056670 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.021779 logG= -0.026879 Density= 0.108025 ETOT(band)= -0.115133 trlgG= -0.143197 logG= -0.026879 TDE= -0.169774 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005159 tlogG= -0.021972 logG= -0.027131 Density= 0.216797 ETOT(band)= -0.229891 trlgG= -0.286391 logG= -0.027131 TDE= -0.170026 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.021444 logG= -0.026515 Density= 0.217183 ETOT(band)= -0.228792 trlgG= -0.284197 logG= -0.026515 TDE= -0.169695 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010193 tlogG= -0.043562 logG= -0.053755 Density= 0.216454 ETOT(band)= -0.230065 trlgG= -0.286379 logG= -0.053755 TDE= -0.339736 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001278 tlogG= -0.005771 logG= -0.007049 Density= 0.080706 ETOT(band)= -0.087237 trlgG= -0.109564 logG= -0.007049 TDE= -0.042696 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.024041 logG= -0.029196 Density= 0.214539 ETOT(band)= -0.233653 trlgG= -0.293765 logG= -0.029196 TDE= -0.170859 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.022530 logG= -0.027727 logGD-logG0= -0.004653 tlogG= -0.024053 logG= -0.028706 Density= 0.213032 ETOT(band)= -0.233794 trlgG= -0.293334 logG= -0.028706 TDE= -0.170632 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216544 ETOT(band)= -0.230885 trlgG= -0.288498 logG= -0.027727 TDE= -0.170364 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023966 logG= -0.028958 Density= 0.213999 ETOT(band)= -0.233553 trlgG= -0.292845 logG= -0.028958 TDE= -0.170586 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.023327 logG= -0.028187 Density= 0.213714 ETOT(band)= -0.233153 trlgG= -0.292067 logG= -0.028187 TDE= -0.170539 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.023504 logG= -0.028792 Density= 0.216365 ETOT(band)= -0.232258 trlgG= -0.292094 logG= -0.028792 TDE= -0.170982 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023455 logG= -0.028185 Density= 0.214385 ETOT(band)= -0.232927 trlgG= -0.292196 logG= -0.028185 TDE= -0.170705 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005643 logG= -0.006900 logGD-logG0= -0.001298 tlogG= -0.005961 logG= -0.007260 Density= 0.080906 ETOT(band)= -0.086812 trlgG= -0.108565 logG= -0.006900 TDE= -0.042620 Density= 0.080897 ETOT(band)= -0.087493 trlgG= -0.110315 logG= -0.007260 TDE= -0.042815 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001297 tlogG= -0.006006 logG= -0.007303 logGD-logG0= -0.001293 tlogG= -0.005878 logG= -0.007171 Density= 0.080717 ETOT(band)= -0.087453 trlgG= -0.110119 logG= -0.007171 TDE= -0.042761 Density= 0.081122 ETOT(band)= -0.087401 trlgG= -0.110374 logG= -0.007303 TDE= -0.042845 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.024088 logG= -0.029396 Density= 0.215858 ETOT(band)= -0.233447 trlgG= -0.294698 logG= -0.029396 TDE= -0.171369 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.023887 logG= -0.029227 Density= 0.215513 ETOT(band)= -0.233344 trlgG= -0.294048 logG= -0.029227 TDE= -0.171216 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023573 logG= -0.028902 Density= 0.215399 ETOT(band)= -0.232905 trlgG= -0.292782 logG= -0.028902 TDE= -0.170960 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.024087 logG= -0.029359 Density= 0.216513 ETOT(band)= -0.232946 trlgG= -0.294241 logG= -0.029359 TDE= -0.171387 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004375 tlogG= -0.024209 logG= -0.028584 Density= 0.212403 ETOT(band)= -0.233884 trlgG= -0.293517 logG= -0.028584 TDE= -0.170774 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004850 tlogG= -0.024090 logG= -0.028940 Density= 0.321859 ETOT(band)= -0.350446 trlgG= -0.441136 logG= -0.028940 TDE= -0.171022 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023932 logG= -0.029085 Density= 0.215672 ETOT(band)= -0.233344 trlgG= -0.294143 logG= -0.029085 TDE= -0.170902 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.024208 logG= -0.029607 Density= 0.215890 ETOT(band)= -0.233603 trlgG= -0.295112 logG= -0.029607 TDE= -0.171399 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.024044 logG= -0.029309 Density= 0.216547 ETOT(band)= -0.232843 trlgG= -0.294010 logG= -0.029309 TDE= -0.171360 logGD-logG0= -0.004567 tlogG= -0.023664 logG= -0.028231 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212847 ETOT(band)= -0.233512 trlgG= -0.292576 logG= -0.028231 TDE= -0.170493 logGD-logG0= -0.005284 tlogG= -0.023850 logG= -0.029134 logGD-logG0= -0.010572 tlogG= -0.047962 logG= -0.058533 Density= 0.216440 ETOT(band)= -0.232642 trlgG= -0.293303 logG= -0.029134 TDE= -0.171220 Density= 0.324593 ETOT(band)= -0.349320 trlgG= -0.440856 logG= -0.058533 TDE= -0.342614 logGD-logG0= -0.004763 tlogG= -0.023452 logG= -0.028215 Density= 0.321933 ETOT(band)= -0.349399 trlgG= -0.438559 logG= -0.028215 TDE= -0.170697 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005195 logG= -0.006403 Density= 0.062597 ETOT(band)= -0.067416 trlgG= -0.084171 logG= -0.006403 TDE= -0.042310 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005122 tlogG= -0.024247 logG= -0.029370 Density= 0.322720 ETOT(band)= -0.350580 trlgG= -0.441812 logG= -0.029370 TDE= -0.171029 logGD-logG0= -0.005327 tlogG= -0.024172 logG= -0.029499 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323329 ETOT(band)= -0.350566 trlgG= -0.442464 logG= -0.029499 TDE= -0.171211 logGD-logG0= -0.010848 tlogG= -0.048216 logG= -0.059064 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323511 ETOT(band)= -0.350362 trlgG= -0.442166 logG= -0.059064 TDE= -0.342599 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.047412 logG= -0.058027 Density= 0.324384 ETOT(band)= -0.348946 trlgG= -0.439503 logG= -0.058027 TDE= -0.342223 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009841 tlogG= -0.046776 logG= -0.056617 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.023058 logG= -0.028317 Density= 0.322992 ETOT(band)= -0.348375 trlgG= -0.436220 logG= -0.056617 TDE= -0.341208 Density= 0.216397 ETOT(band)= -0.231682 trlgG= -0.290479 logG= -0.028317 TDE= -0.170696 logGD-logG0= -0.004680 tlogG= -0.023970 logG= -0.028649 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005447 tlogG= -0.023984 logG= -0.029431 Density= 0.213503 ETOT(band)= -0.233394 trlgG= -0.292346 logG= -0.028649 TDE= -0.170584 Density= 0.215819 ETOT(band)= -0.233349 trlgG= -0.294426 logG= -0.029431 TDE= -0.171223 logGD-logG0= -0.010335 tlogG= -0.045808 logG= -0.056143 Density= 0.324311 ETOT(band)= -0.347336 trlgG= -0.434797 logG= -0.056143 TDE= -0.341048 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001610 tlogG= -0.006906 logG= -0.008515 Density= 0.040875 ETOT(band)= -0.042604 trlgG= -0.052786 logG= -0.008515 TDE= -0.056397 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010608 tlogG= -0.046594 logG= -0.057202 logGD-logG0= -0.004817 tlogG= -0.024090 logG= -0.028907 Density= 0.324257 ETOT(band)= -0.348283 trlgG= -0.437414 logG= -0.057202 TDE= -0.341668 Density= 0.214320 ETOT(band)= -0.233639 trlgG= -0.293988 logG= -0.028907 TDE= -0.171025 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023919 logG= -0.028830 Density= 0.213784 ETOT(band)= -0.233688 trlgG= -0.293586 logG= -0.028830 TDE= -0.170842 logGD-logG0= -0.005247 tlogG= -0.023280 logG= -0.028527 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215066 ETOT(band)= -0.232522 trlgG= -0.291078 logG= -0.028527 TDE= -0.170408 logGD-logG0= -0.009109 tlogG= -0.048254 logG= -0.057363 Density= 0.425985 ETOT(band)= -0.467385 trlgG= -0.586148 logG= -0.057363 TDE= -0.341377 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023332 logG= -0.028441 logGD-logG0= -0.005494 tlogG= -0.023770 logG= -0.029264 Density= 0.215588 ETOT(band)= -0.233195 trlgG= -0.293723 logG= -0.029264 TDE= -0.171045 Density= 0.322001 ETOT(band)= -0.349906 trlgG= -0.439404 logG= -0.028441 TDE= -0.170648 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.024241 logG= -0.029338 Density= 0.214932 ETOT(band)= -0.233735 trlgG= -0.294389 logG= -0.029338 TDE= -0.171033 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005432 tlogG= -0.024043 logG= -0.029475 Density= 0.323917 ETOT(band)= -0.350047 trlgG= -0.441924 logG= -0.029475 TDE= -0.171271 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021395 logG= -0.026384 Density= 0.162768 ETOT(band)= -0.172696 trlgG= -0.215850 logG= -0.026384 TDE= -0.169683 logGD-logG0= -0.009607 tlogG= -0.046872 logG= -0.056479 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428319 ETOT(band)= -0.465223 trlgG= -0.581547 logG= -0.056479 TDE= -0.340808 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009794 tlogG= -0.048007 logG= -0.057801 Density= 0.428443 ETOT(band)= -0.467257 trlgG= -0.587556 logG= -0.057801 TDE= -0.341856 logGD-logG0= -0.010433 tlogG= -0.048394 logG= -0.058827 Density= 0.430407 ETOT(band)= -0.467419 trlgG= -0.589097 logG= -0.058827 TDE= -0.342101 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010300 tlogG= -0.048318 logG= -0.058617 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429686 ETOT(band)= -0.467398 trlgG= -0.588336 logG= -0.058617 TDE= -0.341907 logGD-logG0= -0.010406 tlogG= -0.047837 logG= -0.058244 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428698 ETOT(band)= -0.467245 trlgG= -0.586886 logG= -0.058244 TDE= -0.341497 logGD-logG0= -0.010643 tlogG= -0.048245 logG= -0.058888 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430513 ETOT(band)= -0.467251 trlgG= -0.588772 logG= -0.058888 TDE= -0.342227 logGD-logG0= -0.010919 tlogG= -0.047865 logG= -0.058784 logGD-logG0= -0.009659 tlogG= -0.046775 logG= -0.056435 Density= 0.428510 ETOT(band)= -0.465953 trlgG= -0.584162 logG= -0.056435 TDE= -0.341228 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431444 ETOT(band)= -0.466642 trlgG= -0.588444 logG= -0.058784 TDE= -0.342353 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005510 tlogG= -0.023444 logG= -0.028954 Density= 0.215296 ETOT(band)= -0.232929 trlgG= -0.292577 logG= -0.028954 TDE= -0.170752 logGD-logG0= -0.010811 tlogG= -0.047906 logG= -0.058717 Density= 0.431110 ETOT(band)= -0.466690 trlgG= -0.588076 logG= -0.058717 TDE= -0.342246 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010467 tlogG= -0.048127 logG= -0.058595 logGD-logG0= -0.009972 tlogG= -0.048024 logG= -0.057996 Density= 0.429524 ETOT(band)= -0.467057 trlgG= -0.587559 logG= -0.057996 TDE= -0.341849 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429592 ETOT(band)= -0.467357 trlgG= -0.587965 logG= -0.058595 TDE= -0.341733 logGD-logG0= -0.009799 tlogG= -0.047816 logG= -0.057616 Density= 0.427104 ETOT(band)= -0.467438 trlgG= -0.586657 logG= -0.057616 TDE= -0.341383 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009754 tlogG= -0.047934 logG= -0.057688 logGD-logG0= -0.010845 tlogG= -0.048190 logG= -0.059035 Density= 0.431678 ETOT(band)= -0.466930 trlgG= -0.589441 logG= -0.059035 TDE= -0.342618 Density= 0.427605 ETOT(band)= -0.466997 trlgG= -0.585522 logG= -0.057688 TDE= -0.341087 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010087 tlogG= -0.046570 logG= -0.056657 Density= 0.429931 ETOT(band)= -0.464688 trlgG= -0.581259 logG= -0.056657 TDE= -0.340926 logGD-logG0= -0.010470 tlogG= -0.047104 logG= -0.057573 Density= 0.430266 ETOT(band)= -0.465615 trlgG= -0.583936 logG= -0.057573 TDE= -0.341199 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001226 tlogG= -0.005331 logG= -0.006557 Density= 0.081615 ETOT(band)= -0.085546 trlgG= -0.106183 logG= -0.006557 TDE= -0.042412 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010395 tlogG= -0.047743 logG= -0.058139 logGD-logG0= -0.010150 tlogG= -0.047728 logG= -0.057878 Density= 0.429010 ETOT(band)= -0.466596 trlgG= -0.585941 logG= -0.057878 TDE= -0.341544 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010870 tlogG= -0.047444 logG= -0.058313 Density= 0.430387 ETOT(band)= -0.466268 trlgG= -0.585867 logG= -0.058139 TDE= -0.341642 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430849 ETOT(band)= -0.466259 trlgG= -0.586600 logG= -0.058313 TDE= -0.341862 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.022413 logG= -0.027332 Density= 0.323160 ETOT(band)= -0.347345 trlgG= -0.433831 logG= -0.027332 TDE= -0.170047 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001245 tlogG= -0.005492 logG= -0.006736 Density= 0.081264 ETOT(band)= -0.086206 trlgG= -0.107334 logG= -0.006736 TDE= -0.042523 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010132 tlogG= -0.044796 logG= -0.054928 Density= 0.324554 ETOT(band)= -0.346068 trlgG= -0.431796 logG= -0.054928 TDE= -0.340374 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.022412 logG= -0.027290 Density= 0.215225 ETOT(band)= -0.231523 trlgG= -0.288964 logG= -0.027290 TDE= -0.170052 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005030 tlogG= -0.022376 logG= -0.027406 Density= 0.214472 ETOT(band)= -0.231994 trlgG= -0.289299 logG= -0.027406 TDE= -0.169964 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005030 tlogG= -0.021299 logG= -0.026330 Density= 0.216522 ETOT(band)= -0.229637 trlgG= -0.285438 logG= -0.026330 TDE= -0.169602 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009982 tlogG= -0.044795 logG= -0.054776 Density= 0.431979 ETOT(band)= -0.461255 trlgG= -0.574515 logG= -0.054776 TDE= -0.340012 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.222646330503 eV TrLogG= -407.216791104341 eV Ratio to renormalize= 0.999144860569 rho-rho_expected= 0.018829169048 nargs= 1 argi=dmft2.def 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964242965392801 0.939605230984230 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002375 tlogG= -0.011493 logG= -0.013867 Density= 0.053786 ETOT(band)= -0.057967 trlgG= -0.072474 logG= -0.013867 TDE= -0.085223 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.022269 logG= -0.027303 Density= 0.108446 ETOT(band)= -0.115241 trlgG= -0.143917 logG= -0.027303 TDE= -0.170278 logGD-logG0= -0.004625 tlogG= -0.024130 logG= -0.028755 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106503 ETOT(band)= -0.116922 trlgG= -0.146729 logG= -0.028755 TDE= -0.170677 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.023731 logG= -0.028811 Density= 0.107086 ETOT(band)= -0.116713 trlgG= -0.146225 logG= -0.028811 TDE= -0.170405 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.022832 logG= -0.027945 Density= 0.108335 ETOT(band)= -0.115683 trlgG= -0.144958 logG= -0.027945 TDE= -0.170623 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.023981 logG= -0.028964 logGD-logG0= -0.004790 tlogG= -0.023775 logG= -0.028565 Density= 0.106866 ETOT(band)= -0.116891 trlgG= -0.146840 logG= -0.028964 TDE= -0.170758 Density= 0.107080 ETOT(band)= -0.116625 trlgG= -0.146423 logG= -0.028565 TDE= -0.170847 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002508 tlogG= -0.010886 logG= -0.013394 Density= 0.054109 ETOT(band)= -0.057493 trlgG= -0.071521 logG= -0.013394 TDE= -0.084903 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000199 tlogG= -0.000857 logG= -0.001056 Density= 0.004546 ETOT(band)= -0.004726 trlgG= -0.005851 logG= -0.001056 TDE= -0.007045 logGD-logG0= -0.002461 tlogG= -0.012126 logG= -0.014588 Density= 0.053634 ETOT(band)= -0.058439 trlgG= -0.073598 logG= -0.014588 TDE= -0.085551 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002644 tlogG= -0.012077 logG= -0.014722 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053810 ETOT(band)= -0.058431 trlgG= -0.073654 logG= -0.014722 TDE= -0.085560 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001514 tlogG= -0.007838 logG= -0.009352 Density= 0.035531 ETOT(band)= -0.038849 trlgG= -0.048584 logG= -0.009352 TDE= -0.056814 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004402 tlogG= -0.024133 logG= -0.028535 Density= 0.106235 ETOT(band)= -0.116929 trlgG= -0.146713 logG= -0.028535 TDE= -0.170748 logGD-logG0= -0.002366 tlogG= -0.011928 logG= -0.014294 Density= 0.053612 ETOT(band)= -0.058294 trlgG= -0.073235 logG= -0.014294 TDE= -0.085471 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004429 tlogG= -0.024056 logG= -0.028485 Density= 0.106286 ETOT(band)= -0.116886 trlgG= -0.146601 logG= -0.028485 TDE= -0.170711 logGD-logG0= -0.001432 tlogG= -0.008071 logG= -0.009503 Density= 0.035352 ETOT(band)= -0.038996 trlgG= -0.048945 logG= -0.009503 TDE= -0.056937 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.022555 logG= -0.027672 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108292 ETOT(band)= -0.115545 trlgG= -0.144521 logG= -0.027672 TDE= -0.170437 logGD-logG0= -0.005236 tlogG= -0.023858 logG= -0.029094 logGD-logG0= -0.004708 tlogG= -0.023287 logG= -0.027995 Density= 0.106850 ETOT(band)= -0.116397 trlgG= -0.145402 logG= -0.027995 TDE= -0.170281 Density= 0.108261 ETOT(band)= -0.116353 trlgG= -0.146778 logG= -0.029094 TDE= -0.171256 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002670 tlogG= -0.012034 logG= -0.014705 Density= 0.054026 ETOT(band)= -0.058320 trlgG= -0.073644 logG= -0.014705 TDE= -0.085674 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023526 logG= -0.028755 logGD-logG0= -0.002602 tlogG= -0.012031 logG= -0.014633 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108216 ETOT(band)= -0.116189 trlgG= -0.146241 logG= -0.028755 TDE= -0.171036 Density= 0.054178 ETOT(band)= -0.058203 trlgG= -0.073527 logG= -0.014633 TDE= -0.085704 logGD-logG0= -0.004913 tlogG= -0.023779 logG= -0.028692 Density= 0.107477 ETOT(band)= -0.116514 trlgG= -0.146342 logG= -0.028692 TDE= -0.170835 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.024044 logG= -0.029268 Density= 0.108310 ETOT(band)= -0.116429 trlgG= -0.147058 logG= -0.029268 TDE= -0.171386 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.022499 logG= -0.027595 Density= 0.107735 ETOT(band)= -0.115758 trlgG= -0.144388 logG= -0.027595 TDE= -0.170105 logGD-logG0= -0.005394 tlogG= -0.023996 logG= -0.029390 Density= 0.107843 ETOT(band)= -0.116735 trlgG= -0.147244 logG= -0.029390 TDE= -0.171220 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.024183 logG= -0.029259 Density= 0.107477 ETOT(band)= -0.116825 trlgG= -0.147084 logG= -0.029259 TDE= -0.171010 logGD-logG0= -0.005362 tlogG= -0.024163 logG= -0.029525 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107736 ETOT(band)= -0.116866 trlgG= -0.147456 logG= -0.029525 TDE= -0.171243 logGD-logG0= -0.004796 tlogG= -0.023072 logG= -0.027867 Density= 0.106984 ETOT(band)= -0.116269 trlgG= -0.145138 logG= -0.027867 TDE= -0.170211 logGD-logG0= -0.005405 tlogG= -0.024225 logG= -0.029631 logGD-logG0= -0.004818 tlogG= -0.023584 logG= -0.028402 Density= 0.106885 ETOT(band)= -0.116589 trlgG= -0.145890 logG= -0.028402 TDE= -0.170380 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107900 ETOT(band)= -0.116866 trlgG= -0.147648 logG= -0.029631 TDE= -0.171412 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005369 tlogG= -0.023774 logG= -0.029142 Density= 0.107333 ETOT(band)= -0.116791 trlgG= -0.146779 logG= -0.029142 TDE= -0.170750 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.023700 logG= -0.028913 logGD-logG0= -0.005186 tlogG= -0.023079 logG= -0.028265 Density= 0.108286 ETOT(band)= -0.116237 trlgG= -0.146487 logG= -0.028913 TDE= -0.171160 logGD-logG0= -0.004761 tlogG= -0.023753 logG= -0.028515 Density= 0.106709 ETOT(band)= -0.116733 trlgG= -0.146309 logG= -0.028515 TDE= -0.170600 logGD-logG0= -0.005180 tlogG= -0.023312 logG= -0.028492 Density= 0.108279 ETOT(band)= -0.116013 trlgG= -0.145824 logG= -0.028492 TDE= -0.170914 Density= 0.108223 ETOT(band)= -0.115917 trlgG= -0.145467 logG= -0.028265 TDE= -0.170755 logGD-logG0= -0.005211 tlogG= -0.023966 logG= -0.029177 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108330 ETOT(band)= -0.116365 trlgG= -0.146909 logG= -0.029177 TDE= -0.171339 logGD-logG0= -0.005373 tlogG= -0.024179 logG= -0.029553 Density= 0.107976 ETOT(band)= -0.116780 trlgG= -0.147525 logG= -0.029553 TDE= -0.171405 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.024158 logG= -0.029120 Density= 0.107159 ETOT(band)= -0.116880 trlgG= -0.147101 logG= -0.029120 TDE= -0.171009 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.022968 logG= -0.028161 Density= 0.107715 ETOT(band)= -0.116092 trlgG= -0.145283 logG= -0.028161 TDE= -0.170424 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004948 tlogG= -0.022941 logG= -0.027889 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107844 ETOT(band)= -0.115891 trlgG= -0.144878 logG= -0.027889 TDE= -0.170356 logGD-logG0= -0.005313 tlogG= -0.024057 logG= -0.029370 Density= 0.107541 ETOT(band)= -0.116848 trlgG= -0.147178 logG= -0.029370 TDE= -0.171025 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005383 tlogG= -0.023291 logG= -0.028674 Density= 0.107778 ETOT(band)= -0.116343 trlgG= -0.146093 logG= -0.028674 TDE= -0.170754 logGD-logG0= -0.004824 tlogG= -0.022941 logG= -0.027765 Density= 0.107401 ETOT(band)= -0.116025 trlgG= -0.144996 logG= -0.027765 TDE= -0.170378 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.023963 logG= -0.029323 Density= 0.108004 ETOT(band)= -0.116608 trlgG= -0.147142 logG= -0.029323 TDE= -0.171265 logGD-logG0= -0.009948 tlogG= -0.048423 logG= -0.058371 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214603 ETOT(band)= -0.233724 trlgG= -0.294284 logG= -0.058371 TDE= -0.342110 logGD-logG0= -0.001721 tlogG= -0.007332 logG= -0.009053 Density= 0.035878 ETOT(band)= -0.038507 trlgG= -0.047891 logG= -0.009053 TDE= -0.056593 logGD-logG0= -0.001652 tlogG= -0.007025 logG= -0.008677 Density= 0.036223 ETOT(band)= -0.038066 trlgG= -0.047239 logG= -0.008677 TDE= -0.056487 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009272 tlogG= -0.047799 logG= -0.057070 logGD-logG0= -0.002445 tlogG= -0.010476 logG= -0.012921 Density= 0.054417 ETOT(band)= -0.056982 trlgG= -0.070682 logG= -0.012921 TDE= -0.084689 Density= 0.213155 ETOT(band)= -0.233583 trlgG= -0.292761 logG= -0.057070 TDE= -0.341170 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009811 tlogG= -0.047337 logG= -0.057148 logGD-logG0= -0.005395 tlogG= -0.023673 logG= -0.029069 logGD-logG0= -0.009640 tlogG= -0.045940 logG= -0.055580 Density= 0.215218 ETOT(band)= -0.231894 trlgG= -0.289902 logG= -0.055580 TDE= -0.340822 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213982 ETOT(band)= -0.233302 trlgG= -0.292694 logG= -0.057148 TDE= -0.341435 Density= 0.107891 ETOT(band)= -0.116508 trlgG= -0.146725 logG= -0.029069 TDE= -0.171046 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009916 tlogG= -0.045768 logG= -0.055684 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214577 ETOT(band)= -0.232229 trlgG= -0.290065 logG= -0.055684 TDE= -0.340564 logGD-logG0= -0.010671 tlogG= -0.047929 logG= -0.058600 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010628 tlogG= -0.048264 logG= -0.058892 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214955 ETOT(band)= -0.233656 trlgG= -0.294107 logG= -0.058600 TDE= -0.341878 logGD-logG0= -0.010092 tlogG= -0.048078 logG= -0.058170 Density= 0.215262 ETOT(band)= -0.233717 trlgG= -0.294624 logG= -0.058892 TDE= -0.342255 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009587 tlogG= -0.047626 logG= -0.057213 Density= 0.214516 ETOT(band)= -0.233146 trlgG= -0.292837 logG= -0.057213 TDE= -0.341777 Density= 0.214179 ETOT(band)= -0.233752 trlgG= -0.293962 logG= -0.058170 TDE= -0.341778 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009698 tlogG= -0.048104 logG= -0.057802 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213496 ETOT(band)= -0.233800 trlgG= -0.293397 logG= -0.057802 TDE= -0.341244 logGD-logG0= -0.010474 tlogG= -0.048165 logG= -0.058638 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010534 tlogG= -0.047969 logG= -0.058503 Density= 0.214856 ETOT(band)= -0.233647 trlgG= -0.293935 logG= -0.058503 TDE= -0.341754 Density= 0.215265 ETOT(band)= -0.233571 trlgG= -0.294208 logG= -0.058638 TDE= -0.342094 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010217 tlogG= -0.048210 logG= -0.058427 Density= 0.214733 ETOT(band)= -0.233673 trlgG= -0.294038 logG= -0.058427 TDE= -0.341871 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010707 tlogG= -0.048200 logG= -0.058907 Density= 0.215298 ETOT(band)= -0.233708 trlgG= -0.294652 logG= -0.058907 TDE= -0.342285 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010767 tlogG= -0.047715 logG= -0.058483 Density= 0.215881 ETOT(band)= -0.233179 trlgG= -0.294013 logG= -0.058483 TDE= -0.342359 logGD-logG0= -0.010331 tlogG= -0.047840 logG= -0.058170 logGD-logG0= -0.010559 tlogG= -0.047490 logG= -0.058049 Density= 0.214471 ETOT(band)= -0.233538 trlgG= -0.293190 logG= -0.058049 TDE= -0.341272 Density= 0.214162 ETOT(band)= -0.233738 trlgG= -0.293714 logG= -0.058170 TDE= -0.341521 logGD-logG0= -0.010695 tlogG= -0.048128 logG= -0.058823 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010729 tlogG= -0.047611 logG= -0.058339 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.045832 logG= -0.055854 Density= 0.216072 ETOT(band)= -0.233300 trlgG= -0.294580 logG= -0.058823 TDE= -0.342680 Density= 0.215351 ETOT(band)= -0.231971 trlgG= -0.289896 logG= -0.055854 TDE= -0.340608 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215653 ETOT(band)= -0.233213 trlgG= -0.293767 logG= -0.058339 TDE= -0.342144 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010819 tlogG= -0.048333 logG= -0.059153 Density= 0.215608 ETOT(band)= -0.233741 trlgG= -0.295095 logG= -0.059153 TDE= -0.342636 logGD-logG0= -0.010333 tlogG= -0.046598 logG= -0.056931 Density= 0.215412 ETOT(band)= -0.232537 trlgG= -0.291520 logG= -0.056931 TDE= -0.341185 logGD-logG0= -0.009975 tlogG= -0.047329 logG= -0.057304 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010748 tlogG= -0.048076 logG= -0.058824 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215946 ETOT(band)= -0.233369 trlgG= -0.294578 logG= -0.058824 TDE= -0.342614 Density= 0.213996 ETOT(band)= -0.233346 trlgG= -0.292486 logG= -0.057304 TDE= -0.341078 logGD-logG0= -0.010770 tlogG= -0.047069 logG= -0.057839 Density= 0.215618 ETOT(band)= -0.232935 trlgG= -0.292967 logG= -0.057839 TDE= -0.341826 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.021664 logG= -0.026650 Density= 0.108598 ETOT(band)= -0.114693 trlgG= -0.142794 logG= -0.026650 TDE= -0.169884 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004907 tlogG= -0.021089 logG= -0.025996 Density= 0.108789 ETOT(band)= -0.114110 trlgG= -0.141642 logG= -0.025996 TDE= -0.169481 logGD-logG0= -0.009942 tlogG= -0.047405 logG= -0.057347 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214682 ETOT(band)= -0.233110 trlgG= -0.292614 logG= -0.057347 TDE= -0.341502 logGD-logG0= -0.010245 tlogG= -0.047337 logG= -0.057582 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215344 ETOT(band)= -0.232939 trlgG= -0.292535 logG= -0.057582 TDE= -0.341516 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.024151 logG= -0.029500 Density= 0.108034 ETOT(band)= -0.116714 trlgG= -0.147439 logG= -0.029500 TDE= -0.171400 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.021908 logG= -0.027064 Density= 0.107888 ETOT(band)= -0.115333 trlgG= -0.143518 logG= -0.027064 TDE= -0.169842 logGD-logG0= -0.005071 tlogG= -0.021974 logG= -0.027045 Density= 0.108411 ETOT(band)= -0.115056 trlgG= -0.143469 logG= -0.027045 TDE= -0.170071 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005098 tlogG= -0.021785 logG= -0.026882 Density= 0.108028 ETOT(band)= -0.115144 trlgG= -0.143212 logG= -0.026882 TDE= -0.169787 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010191 tlogG= -0.043572 logG= -0.053763 Density= 0.216461 ETOT(band)= -0.230086 trlgG= -0.286409 logG= -0.053763 TDE= -0.339762 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001257 tlogG= -0.005644 logG= -0.006901 Density= 0.080909 ETOT(band)= -0.086820 trlgG= -0.108576 logG= -0.006901 TDE= -0.042623 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.022536 logG= -0.027731 Density= 0.216550 ETOT(band)= -0.230905 trlgG= -0.288529 logG= -0.027731 TDE= -0.170377 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004653 tlogG= -0.024057 logG= -0.028710 Density= 0.213038 ETOT(band)= -0.233816 trlgG= -0.293365 logG= -0.028710 TDE= -0.170645 logGD-logG0= -0.004992 tlogG= -0.023970 logG= -0.028962 Density= 0.214005 ETOT(band)= -0.233575 trlgG= -0.292878 logG= -0.028962 TDE= -0.170600 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023064 logG= -0.028321 Density= 0.216404 ETOT(band)= -0.231703 trlgG= -0.290510 logG= -0.028321 TDE= -0.170709 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004729 tlogG= -0.023460 logG= -0.028189 Density= 0.214391 ETOT(band)= -0.232948 trlgG= -0.292227 logG= -0.028189 TDE= -0.170718 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004909 tlogG= -0.023925 logG= -0.028834 Density= 0.213790 ETOT(band)= -0.233710 trlgG= -0.293617 logG= -0.028834 TDE= -0.170855 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001244 tlogG= -0.005493 logG= -0.006737 Density= 0.081267 ETOT(band)= -0.086213 trlgG= -0.107345 logG= -0.006737 TDE= -0.042526 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001459 tlogG= -0.007992 logG= -0.009451 Density= 0.070945 ETOT(band)= -0.077796 trlgG= -0.097408 logG= -0.009451 TDE= -0.056898 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004375 tlogG= -0.024213 logG= -0.028588 Density= 0.212408 ETOT(band)= -0.233906 trlgG= -0.293548 logG= -0.028588 TDE= -0.170787 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004511 tlogG= -0.023822 logG= -0.028333 Density= 0.213317 ETOT(band)= -0.233136 trlgG= -0.291639 logG= -0.028333 TDE= -0.170590 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001298 tlogG= -0.005963 logG= -0.007261 Density= 0.080900 ETOT(band)= -0.087500 trlgG= -0.110327 logG= -0.007261 TDE= -0.042818 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004567 tlogG= -0.023668 logG= -0.028236 Density= 0.212852 ETOT(band)= -0.233534 trlgG= -0.292608 logG= -0.028236 TDE= -0.170506 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001297 tlogG= -0.006007 logG= -0.007304 Density= 0.081124 ETOT(band)= -0.087409 trlgG= -0.110386 logG= -0.007304 TDE= -0.042848 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023974 logG= -0.028654 logGD-logG0= -0.001293 tlogG= -0.005880 logG= -0.007172 Density= 0.213508 ETOT(band)= -0.233415 trlgG= -0.292377 logG= -0.028654 TDE= -0.170597 Density= 0.080720 ETOT(band)= -0.087461 trlgG= -0.110131 logG= -0.007172 TDE= -0.042764 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022990 logG= -0.028039 Density= 0.215006 ETOT(band)= -0.231985 trlgG= -0.289586 logG= -0.028039 TDE= -0.170242 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001600 tlogG= -0.007615 logG= -0.009216 Density= 0.071569 ETOT(band)= -0.077207 trlgG= -0.096119 logG= -0.009216 TDE= -0.056674 2) Finished k-point 6 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001609 tlogG= -0.006907 logG= -0.008517 Density= 0.040876 ETOT(band)= -0.042608 trlgG= -0.052792 logG= -0.008517 TDE= -0.056401 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001278 tlogG= -0.005772 logG= -0.007050 Density= 0.080708 ETOT(band)= -0.087245 trlgG= -0.109576 logG= -0.007050 TDE= -0.042699 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.024094 logG= -0.029400 Density= 0.215865 ETOT(band)= -0.233467 trlgG= -0.294730 logG= -0.029400 TDE= -0.171382 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.023893 logG= -0.029231 Density= 0.215520 ETOT(band)= -0.233365 trlgG= -0.294079 logG= -0.029231 TDE= -0.171230 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005329 tlogG= -0.023577 logG= -0.028906 Density= 0.215406 ETOT(band)= -0.232926 trlgG= -0.292813 logG= -0.028906 TDE= -0.170973 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005281 tlogG= -0.023856 logG= -0.029137 Density= 0.216448 ETOT(band)= -0.232662 trlgG= -0.293334 logG= -0.029137 TDE= -0.171233 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005262 tlogG= -0.024050 logG= -0.029313 Density= 0.216554 ETOT(band)= -0.232863 trlgG= -0.294041 logG= -0.029313 TDE= -0.171374 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001225 tlogG= -0.005332 logG= -0.006557 Density= 0.081617 ETOT(band)= -0.085553 trlgG= -0.106194 logG= -0.006557 TDE= -0.042415 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005445 tlogG= -0.023990 logG= -0.029435 Density= 0.215827 ETOT(band)= -0.233369 trlgG= -0.294458 logG= -0.029435 TDE= -0.171236 logGD-logG0= -0.005096 tlogG= -0.024246 logG= -0.029342 Density= 0.214938 ETOT(band)= -0.233756 trlgG= -0.294421 logG= -0.029342 TDE= -0.171046 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.024093 logG= -0.029363 Density= 0.216521 ETOT(band)= -0.232966 trlgG= -0.294272 logG= -0.029363 TDE= -0.171401 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.024095 logG= -0.028944 Density= 0.321869 ETOT(band)= -0.350478 trlgG= -0.441182 logG= -0.028944 TDE= -0.171035 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.024046 logG= -0.029200 logGD-logG0= -0.004987 tlogG= -0.021401 logG= -0.026388 logGD-logG0= -0.004762 tlogG= -0.023457 logG= -0.028219 logGD-logG0= -0.001719 tlogG= -0.007149 logG= -0.008869 Density= 0.072289 ETOT(band)= -0.076355 trlgG= -0.094821 logG= -0.008869 TDE= -0.056561 Density= 0.321941 ETOT(band)= -0.349431 trlgG= -0.438606 logG= -0.028219 TDE= -0.170710 Density= 0.162773 ETOT(band)= -0.172711 trlgG= -0.215872 logG= -0.026388 TDE= -0.169696 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214546 ETOT(band)= -0.233674 trlgG= -0.293797 logG= -0.029200 TDE= -0.170872 54) Finished k-point 110 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010846 tlogG= -0.048227 logG= -0.059072 logGD-logG0= -0.005397 tlogG= -0.024214 logG= -0.029611 Density= 0.323522 ETOT(band)= -0.350393 trlgG= -0.442214 logG= -0.059072 TDE= -0.342627 Density= 0.215897 ETOT(band)= -0.233623 trlgG= -0.295144 logG= -0.029611 TDE= -0.171412 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.047974 logG= -0.058541 Density= 0.324604 ETOT(band)= -0.349350 trlgG= -0.440902 logG= -0.058541 TDE= -0.342641 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.024252 logG= -0.029374 Density= 0.322730 ETOT(band)= -0.350611 trlgG= -0.441859 logG= -0.029374 TDE= -0.171042 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009800 tlogG= -0.047824 logG= -0.057624 Density= 0.427115 ETOT(band)= -0.467481 trlgG= -0.586721 logG= -0.057624 TDE= -0.341410 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023510 logG= -0.028796 Density= 0.216372 ETOT(band)= -0.232279 trlgG= -0.292125 logG= -0.028796 TDE= -0.170995 logGD-logG0= -0.010610 tlogG= -0.047424 logG= -0.058034 Density= 0.324394 ETOT(band)= -0.348976 trlgG= -0.439550 logG= -0.058034 TDE= -0.342250 logGD-logG0= -0.005002 tlogG= -0.022556 logG= -0.027557 Density= 0.215230 ETOT(band)= -0.231253 trlgG= -0.287947 logG= -0.027557 TDE= -0.169990 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.045817 logG= -0.056151 logGD-logG0= -0.005028 tlogG= -0.022381 logG= -0.027410 Density= 0.214478 ETOT(band)= -0.232015 trlgG= -0.289331 logG= -0.027410 TDE= -0.169977 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324321 ETOT(band)= -0.347367 trlgG= -0.434844 logG= -0.056151 TDE= -0.341074 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004859 tlogG= -0.023333 logG= -0.028191 Density= 0.213720 ETOT(band)= -0.233174 trlgG= -0.292099 logG= -0.028191 TDE= -0.170552 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004816 tlogG= -0.024096 logG= -0.028911 logGD-logG0= -0.009108 tlogG= -0.048263 logG= -0.057371 Density= 0.214327 ETOT(band)= -0.233660 trlgG= -0.294019 logG= -0.028911 TDE= -0.171039 Density= 0.425995 ETOT(band)= -0.467429 trlgG= -0.586210 logG= -0.057371 TDE= -0.341403 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.024177 logG= -0.029503 Density= 0.323340 ETOT(band)= -0.350597 trlgG= -0.442512 logG= -0.029503 TDE= -0.171225 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005492 tlogG= -0.023777 logG= -0.029268 Density= 0.215595 ETOT(band)= -0.233216 trlgG= -0.293755 logG= -0.029268 TDE= -0.171059 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009606 tlogG= -0.046881 logG= -0.056487 Density= 0.428330 ETOT(band)= -0.465266 trlgG= -0.581610 logG= -0.056487 TDE= -0.340834 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.023337 logG= -0.028445 Density= 0.322010 ETOT(band)= -0.349938 trlgG= -0.439451 logG= -0.028445 TDE= -0.170661 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.024050 logG= -0.029479 Density= 0.323928 ETOT(band)= -0.350078 trlgG= -0.441971 logG= -0.029479 TDE= -0.171285 logGD-logG0= -0.009839 tlogG= -0.046786 logG= -0.056625 Density= 0.323002 ETOT(band)= -0.348406 trlgG= -0.436266 logG= -0.056625 TDE= -0.341234 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.023284 logG= -0.028531 Density= 0.215072 ETOT(band)= -0.232543 trlgG= -0.291110 logG= -0.028531 TDE= -0.170422 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005510 tlogG= -0.023449 logG= -0.028958 logGD-logG0= -0.005152 tlogG= -0.023937 logG= -0.029089 Density= 0.215303 ETOT(band)= -0.232950 trlgG= -0.292608 logG= -0.028958 TDE= -0.170765 Density= 0.215679 ETOT(band)= -0.233364 trlgG= -0.294175 logG= -0.029089 TDE= -0.170916 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010298 tlogG= -0.048328 logG= -0.058626 logGD-logG0= -0.010604 tlogG= -0.046606 logG= -0.057209 Density= 0.324267 ETOT(band)= -0.348313 trlgG= -0.437461 logG= -0.057209 TDE= -0.341695 Density= 0.429699 ETOT(band)= -0.467440 trlgG= -0.588399 logG= -0.058626 TDE= -0.341933 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.048017 logG= -0.057810 logGD-logG0= -0.010465 tlogG= -0.048137 logG= -0.058603 logGD-logG0= -0.009657 tlogG= -0.046786 logG= -0.056443 Density= 0.428522 ETOT(band)= -0.465995 trlgG= -0.584226 logG= -0.056443 TDE= -0.341254 Density= 0.429605 ETOT(band)= -0.467399 trlgG= -0.588029 logG= -0.058603 TDE= -0.341760 Density= 0.428455 ETOT(band)= -0.467299 trlgG= -0.587619 logG= -0.057810 TDE= -0.341883 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010405 tlogG= -0.047847 logG= -0.058252 Density= 0.428711 ETOT(band)= -0.467287 trlgG= -0.586949 logG= -0.058252 TDE= -0.341523 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010084 tlogG= -0.046580 logG= -0.056665 Density= 0.429943 ETOT(band)= -0.464730 trlgG= -0.581321 logG= -0.056665 TDE= -0.340952 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010431 tlogG= -0.048404 logG= -0.058835 Density= 0.430421 ETOT(band)= -0.467461 trlgG= -0.589162 logG= -0.058835 TDE= -0.342128 logGD-logG0= -0.010809 tlogG= -0.047916 logG= -0.058725 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431124 ETOT(band)= -0.466731 trlgG= -0.588140 logG= -0.058725 TDE= -0.342273 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010915 tlogG= -0.047878 logG= -0.058792 Density= 0.431458 ETOT(band)= -0.466684 trlgG= -0.588508 logG= -0.058792 TDE= -0.342381 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010641 tlogG= -0.048255 logG= -0.058896 Density= 0.430526 ETOT(band)= -0.467293 trlgG= -0.588836 logG= -0.058896 TDE= -0.342254 logGD-logG0= -0.009970 tlogG= -0.048034 logG= -0.058004 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429537 ETOT(band)= -0.467100 trlgG= -0.587620 logG= -0.058004 TDE= -0.341875 logGD-logG0= -0.005157 tlogG= -0.021978 logG= -0.027135 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216803 ETOT(band)= -0.229911 trlgG= -0.286422 logG= -0.027135 TDE= -0.170039 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005069 tlogG= -0.021450 logG= -0.026519 Density= 0.217189 ETOT(band)= -0.228812 trlgG= -0.284227 logG= -0.026519 TDE= -0.169708 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010840 tlogG= -0.048203 logG= -0.059043 Density= 0.431692 ETOT(band)= -0.466971 trlgG= -0.589504 logG= -0.059043 TDE= -0.342645 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010868 tlogG= -0.047454 logG= -0.058321 Density= 0.430863 ETOT(band)= -0.466300 trlgG= -0.586664 logG= -0.058321 TDE= -0.341890 logGD-logG0= -0.010468 tlogG= -0.047114 logG= -0.057581 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430279 ETOT(band)= -0.465657 trlgG= -0.584000 logG= -0.057581 TDE= -0.341226 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010130 tlogG= -0.044806 logG= -0.054936 Density= 0.324563 ETOT(band)= -0.346099 trlgG= -0.431842 logG= -0.054936 TDE= -0.340400 logGD-logG0= -0.010148 tlogG= -0.047738 logG= -0.057886 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429022 ETOT(band)= -0.466638 trlgG= -0.586004 logG= -0.057886 TDE= -0.341570 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009754 tlogG= -0.047943 logG= -0.057697 Density= 0.427617 ETOT(band)= -0.467040 trlgG= -0.585586 logG= -0.057697 TDE= -0.341114 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.022418 logG= -0.027335 Density= 0.323169 ETOT(band)= -0.347376 trlgG= -0.433877 logG= -0.027335 TDE= -0.170060 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010393 tlogG= -0.047753 logG= -0.058147 Density= 0.430400 ETOT(band)= -0.466309 trlgG= -0.585931 logG= -0.058147 TDE= -0.341670 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001207 tlogG= -0.005196 logG= -0.006404 Density= 0.062599 ETOT(band)= -0.067422 trlgG= -0.084180 logG= -0.006404 TDE= -0.042314 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005028 tlogG= -0.021305 logG= -0.026333 Density= 0.216529 ETOT(band)= -0.229658 trlgG= -0.285469 logG= -0.026333 TDE= -0.169615 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004877 tlogG= -0.022417 logG= -0.027294 Density= 0.215230 ETOT(band)= -0.231544 trlgG= -0.288994 logG= -0.027294 TDE= -0.170065 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009979 tlogG= -0.044805 logG= -0.054784 Density= 0.431991 ETOT(band)= -0.461297 trlgG= -0.574576 logG= -0.054784 TDE= -0.340038 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.251805562062 eV TrLogG= -407.264982484011 eV Ratio to renormalize= 0.999115301604 rho-rho_expected= 0.019480599159 nargs= 1 argi=dmft2.def 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964319418812439 0.939741940889733 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002373 tlogG= -0.011499 logG= -0.013872 Density= 0.053790 ETOT(band)= -0.057980 trlgG= -0.072493 logG= -0.013872 TDE= -0.085240 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023327 logG= -0.028501 Density= 0.108289 ETOT(band)= -0.116039 trlgG= -0.145863 logG= -0.028501 TDE= -0.170948 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.022846 logG= -0.027954 logGD-logG0= -0.004983 tlogG= -0.023991 logG= -0.028974 Density= 0.106873 ETOT(band)= -0.116919 trlgG= -0.146880 logG= -0.028974 TDE= -0.170792 Density= 0.108344 ETOT(band)= -0.115709 trlgG= -0.144997 logG= -0.027954 TDE= -0.170657 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.022980 logG= -0.028170 Density= 0.107723 ETOT(band)= -0.116119 trlgG= -0.145323 logG= -0.028170 TDE= -0.170459 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.023303 logG= -0.028683 Density= 0.107787 ETOT(band)= -0.116370 trlgG= -0.146133 logG= -0.028683 TDE= -0.170789 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004821 tlogG= -0.022954 logG= -0.027775 Density= 0.107408 ETOT(band)= -0.116053 trlgG= -0.145035 logG= -0.027775 TDE= -0.170412 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002506 tlogG= -0.010892 logG= -0.013398 Density= 0.054113 ETOT(band)= -0.057506 trlgG= -0.071540 logG= -0.013398 TDE= -0.084920 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000199 tlogG= -0.000857 logG= -0.001056 Density= 0.004546 ETOT(band)= -0.004727 trlgG= -0.005853 logG= -0.001056 TDE= -0.007046 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002364 tlogG= -0.011935 logG= -0.014299 Density= 0.053616 ETOT(band)= -0.058308 trlgG= -0.073255 logG= -0.014299 TDE= -0.085488 logGD-logG0= -0.002460 tlogG= -0.012133 logG= -0.014593 logGD-logG0= -0.002643 tlogG= -0.012084 logG= -0.014726 Density= 0.053815 ETOT(band)= -0.058445 trlgG= -0.073674 logG= -0.014726 TDE= -0.085578 Density= 0.053639 ETOT(band)= -0.058452 trlgG= -0.073618 logG= -0.014593 TDE= -0.085568 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001513 tlogG= -0.007842 logG= -0.009356 Density= 0.035533 ETOT(band)= -0.038858 trlgG= -0.048597 logG= -0.009356 TDE= -0.056825 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002599 tlogG= -0.012039 logG= -0.014638 Density= 0.054183 ETOT(band)= -0.058216 trlgG= -0.073547 logG= -0.014638 TDE= -0.085721 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023873 logG= -0.029103 Density= 0.108271 ETOT(band)= -0.116378 trlgG= -0.146817 logG= -0.029103 TDE= -0.171291 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023541 logG= -0.028764 logGD-logG0= -0.004400 tlogG= -0.024145 logG= -0.028545 Density= 0.106241 ETOT(band)= -0.116957 trlgG= -0.146754 logG= -0.028545 TDE= -0.170782 Density= 0.108226 ETOT(band)= -0.116215 trlgG= -0.146280 logG= -0.028764 TDE= -0.171071 logGD-logG0= -0.005218 tlogG= -0.024059 logG= -0.029277 logGD-logG0= -0.005181 tlogG= -0.023094 logG= -0.028274 Density= 0.108320 ETOT(band)= -0.116455 trlgG= -0.147097 logG= -0.029277 TDE= -0.171421 logGD-logG0= -0.005112 tlogG= -0.022570 logG= -0.027681 Density= 0.108301 ETOT(band)= -0.115571 trlgG= -0.144560 logG= -0.027681 TDE= -0.170471 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108232 ETOT(band)= -0.115943 trlgG= -0.145506 logG= -0.028274 TDE= -0.170790 logGD-logG0= -0.004624 tlogG= -0.024141 logG= -0.028765 Density= 0.106510 ETOT(band)= -0.116951 trlgG= -0.146769 logG= -0.028765 TDE= -0.170710 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005360 tlogG= -0.024175 logG= -0.029535 Density= 0.107745 ETOT(band)= -0.116893 trlgG= -0.147497 logG= -0.029535 TDE= -0.171279 logGD-logG0= -0.004428 tlogG= -0.024068 logG= -0.028495 Density= 0.106293 ETOT(band)= -0.116915 trlgG= -0.146641 logG= -0.028495 TDE= -0.170745 logGD-logG0= -0.004706 tlogG= -0.023299 logG= -0.028005 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005030 tlogG= -0.022283 logG= -0.027312 Density= 0.106857 ETOT(band)= -0.116425 trlgG= -0.145442 logG= -0.028005 TDE= -0.170315 logGD-logG0= -0.002667 tlogG= -0.012042 logG= -0.014709 Density= 0.108454 ETOT(band)= -0.115267 trlgG= -0.143956 logG= -0.027312 TDE= -0.170312 logGD-logG0= -0.005205 tlogG= -0.023981 logG= -0.029186 Density= 0.108340 ETOT(band)= -0.116391 trlgG= -0.146948 logG= -0.029186 TDE= -0.171374 Density= 0.054031 ETOT(band)= -0.058333 trlgG= -0.073664 logG= -0.014709 TDE= -0.085692 logGD-logG0= -0.005073 tlogG= -0.024196 logG= -0.029269 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107486 ETOT(band)= -0.116852 trlgG= -0.147123 logG= -0.029269 TDE= -0.171043 logGD-logG0= -0.005399 tlogG= -0.024241 logG= -0.029640 logGD-logG0= -0.005367 tlogG= -0.024195 logG= -0.029562 Density= 0.107985 ETOT(band)= -0.116806 trlgG= -0.147566 logG= -0.029562 TDE= -0.171440 Density= 0.107910 ETOT(band)= -0.116892 trlgG= -0.147689 logG= -0.029640 TDE= -0.171448 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023715 logG= -0.028922 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.023741 logG= -0.028820 Density= 0.108296 ETOT(band)= -0.116263 trlgG= -0.146526 logG= -0.028922 TDE= -0.171195 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.023786 logG= -0.029152 Density= 0.107342 ETOT(band)= -0.116818 trlgG= -0.146820 logG= -0.029152 TDE= -0.170786 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024070 logG= -0.029380 Density= 0.107550 ETOT(band)= -0.116875 trlgG= -0.147220 logG= -0.029380 TDE= -0.171061 Density= 0.107094 ETOT(band)= -0.116740 trlgG= -0.146266 logG= -0.028820 TDE= -0.170441 logGD-logG0= -0.005392 tlogG= -0.024008 logG= -0.029399 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107852 ETOT(band)= -0.116762 trlgG= -0.147284 logG= -0.029399 TDE= -0.171255 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004945 tlogG= -0.022953 logG= -0.027898 Density= 0.107852 ETOT(band)= -0.115917 trlgG= -0.144917 logG= -0.027898 TDE= -0.170389 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.022511 logG= -0.027605 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.023791 logG= -0.028701 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107486 ETOT(band)= -0.116541 trlgG= -0.146381 logG= -0.028701 TDE= -0.170869 Density= 0.107743 ETOT(band)= -0.115785 trlgG= -0.144428 logG= -0.027605 TDE= -0.170140 logGD-logG0= -0.004761 tlogG= -0.023764 logG= -0.028525 logGD-logG0= -0.004794 tlogG= -0.023083 logG= -0.027877 Density= 0.106991 ETOT(band)= -0.116297 trlgG= -0.145179 logG= -0.027877 TDE= -0.170246 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106717 ETOT(band)= -0.116761 trlgG= -0.146351 logG= -0.028525 TDE= -0.170635 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004786 tlogG= -0.023788 logG= -0.028575 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.024171 logG= -0.029130 Density= 0.107167 ETOT(band)= -0.116907 trlgG= -0.147141 logG= -0.029130 TDE= -0.171043 logGD-logG0= -0.001431 tlogG= -0.008075 logG= -0.009506 Density= 0.035355 ETOT(band)= -0.039006 trlgG= -0.048959 logG= -0.009506 TDE= -0.056948 Density= 0.107088 ETOT(band)= -0.116652 trlgG= -0.146463 logG= -0.028575 TDE= -0.170881 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023595 logG= -0.028412 Density= 0.106892 ETOT(band)= -0.116617 trlgG= -0.145929 logG= -0.028412 TDE= -0.170413 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.023979 logG= -0.029332 Density= 0.108013 ETOT(band)= -0.116634 trlgG= -0.147182 logG= -0.029332 TDE= -0.171301 logGD-logG0= -0.005342 tlogG= -0.024167 logG= -0.029509 Density= 0.108044 ETOT(band)= -0.116740 trlgG= -0.147479 logG= -0.029509 TDE= -0.171435 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009942 tlogG= -0.048449 logG= -0.058391 Density= 0.214620 ETOT(band)= -0.233778 trlgG= -0.294364 logG= -0.058391 TDE= -0.342178 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005389 tlogG= -0.023688 logG= -0.029078 Density= 0.107901 ETOT(band)= -0.116535 trlgG= -0.146765 logG= -0.029078 TDE= -0.171082 logGD-logG0= -0.009805 tlogG= -0.047363 logG= -0.057168 logGD-logG0= -0.009633 tlogG= -0.045966 logG= -0.055599 Density= 0.215234 ETOT(band)= -0.231948 trlgG= -0.289981 logG= -0.055599 TDE= -0.340890 logGD-logG0= -0.009270 tlogG= -0.047821 logG= -0.057090 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213997 ETOT(band)= -0.233358 trlgG= -0.292775 logG= -0.057168 TDE= -0.341504 Density= 0.213168 ETOT(band)= -0.233639 trlgG= -0.292841 logG= -0.057090 TDE= -0.341237 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010085 tlogG= -0.048104 logG= -0.058190 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009909 tlogG= -0.045794 logG= -0.055703 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214196 ETOT(band)= -0.233807 trlgG= -0.294042 logG= -0.058190 TDE= -0.341847 Density= 0.214592 ETOT(band)= -0.232284 trlgG= -0.290145 logG= -0.055703 TDE= -0.340632 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009975 tlogG= -0.047349 logG= -0.057324 Density= 0.214011 ETOT(band)= -0.233401 trlgG= -0.292566 logG= -0.057324 TDE= -0.341146 logGD-logG0= -0.009697 tlogG= -0.048125 logG= -0.057822 Density= 0.213511 ETOT(band)= -0.233856 trlgG= -0.293479 logG= -0.057822 TDE= -0.341313 logGD-logG0= -0.010622 tlogG= -0.048289 logG= -0.058911 logGD-logG0= -0.010665 tlogG= -0.047954 logG= -0.058619 Density= 0.214973 ETOT(band)= -0.233710 trlgG= -0.294189 logG= -0.058619 TDE= -0.341950 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009580 tlogG= -0.047652 logG= -0.057233 logGD-logG0= -0.010469 tlogG= -0.048189 logG= -0.058657 Density= 0.215281 ETOT(band)= -0.233770 trlgG= -0.294706 logG= -0.058911 TDE= -0.342327 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215283 ETOT(band)= -0.233625 trlgG= -0.294290 logG= -0.058657 TDE= -0.342165 Density= 0.214532 ETOT(band)= -0.233201 trlgG= -0.292917 logG= -0.057233 TDE= -0.341845 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001650 tlogG= -0.007029 logG= -0.008680 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036226 ETOT(band)= -0.038074 trlgG= -0.047251 logG= -0.008680 TDE= -0.056498 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001721 tlogG= -0.007335 logG= -0.009056 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035881 ETOT(band)= -0.038516 trlgG= -0.047904 logG= -0.009056 TDE= -0.056604 logGD-logG0= -0.010211 tlogG= -0.048235 logG= -0.058447 Density= 0.214750 ETOT(band)= -0.233728 trlgG= -0.294116 logG= -0.058447 TDE= -0.341939 logGD-logG0= -0.010702 tlogG= -0.048224 logG= -0.058926 Density= 0.215317 ETOT(band)= -0.233762 trlgG= -0.294734 logG= -0.058926 TDE= -0.342357 logGD-logG0= -0.002442 tlogG= -0.010483 logG= -0.012925 Density= 0.054422 ETOT(band)= -0.056995 trlgG= -0.070701 logG= -0.012925 TDE= -0.084706 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010528 tlogG= -0.047994 logG= -0.058522 Density= 0.214874 ETOT(band)= -0.233701 trlgG= -0.294018 logG= -0.058522 TDE= -0.341826 logGD-logG0= -0.010016 tlogG= -0.045857 logG= -0.055873 Density= 0.215367 ETOT(band)= -0.232025 trlgG= -0.289974 logG= -0.055873 TDE= -0.340675 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010327 tlogG= -0.047863 logG= -0.058190 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214178 ETOT(band)= -0.233793 trlgG= -0.293794 logG= -0.058190 TDE= -0.341590 logGD-logG0= -0.010683 tlogG= -0.048158 logG= -0.058841 logGD-logG0= -0.010755 tlogG= -0.047746 logG= -0.058501 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.047512 logG= -0.058068 Density= 0.214487 ETOT(band)= -0.233592 trlgG= -0.293271 logG= -0.058068 TDE= -0.341342 Density= 0.215900 ETOT(band)= -0.233231 trlgG= -0.294093 logG= -0.058501 TDE= -0.342430 Density= 0.216091 ETOT(band)= -0.233352 trlgG= -0.294659 logG= -0.058841 TDE= -0.342751 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010736 tlogG= -0.048107 logG= -0.058843 logGD-logG0= -0.010328 tlogG= -0.046622 logG= -0.056950 Density= 0.215965 ETOT(band)= -0.233422 trlgG= -0.294658 logG= -0.058843 TDE= -0.342685 Density= 0.215429 ETOT(band)= -0.232591 trlgG= -0.291600 logG= -0.056950 TDE= -0.341256 logGD-logG0= -0.010724 tlogG= -0.047634 logG= -0.058358 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215672 ETOT(band)= -0.233266 trlgG= -0.293848 logG= -0.058358 TDE= -0.342215 logGD-logG0= -0.010814 tlogG= -0.048357 logG= -0.059172 Density= 0.215627 ETOT(band)= -0.233794 trlgG= -0.295177 logG= -0.059172 TDE= -0.342708 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010765 tlogG= -0.047092 logG= -0.057858 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215636 ETOT(band)= -0.232988 trlgG= -0.293047 logG= -0.057858 TDE= -0.341897 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009936 tlogG= -0.047430 logG= -0.057366 Density= 0.214698 ETOT(band)= -0.233164 trlgG= -0.292693 logG= -0.057366 TDE= -0.341570 logGD-logG0= -0.010239 tlogG= -0.047362 logG= -0.057601 Density= 0.215362 ETOT(band)= -0.232992 trlgG= -0.292616 logG= -0.057601 TDE= -0.341587 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.021678 logG= -0.026658 Density= 0.108606 ETOT(band)= -0.114719 trlgG= -0.142832 logG= -0.026658 TDE= -0.169917 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004902 tlogG= -0.021103 logG= -0.026004 Density= 0.108799 ETOT(band)= -0.114136 trlgG= -0.141679 logG= -0.026004 TDE= -0.169514 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005066 tlogG= -0.021988 logG= -0.027054 Density= 0.108419 ETOT(band)= -0.115082 trlgG= -0.143507 logG= -0.027054 TDE= -0.170105 logGD-logG0= -0.001256 tlogG= -0.005648 logG= -0.006903 Density= 0.080915 ETOT(band)= -0.086840 trlgG= -0.108606 logG= -0.006903 TDE= -0.042632 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005094 tlogG= -0.021797 logG= -0.026891 Density= 0.108036 ETOT(band)= -0.115170 trlgG= -0.143251 logG= -0.026891 TDE= -0.169821 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010184 tlogG= -0.043596 logG= -0.053780 Density= 0.216478 ETOT(band)= -0.230138 trlgG= -0.286487 logG= -0.053780 TDE= -0.339830 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005280 tlogG= -0.023525 logG= -0.028805 Density= 0.216391 ETOT(band)= -0.232331 trlgG= -0.292204 logG= -0.028805 TDE= -0.171030 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023079 logG= -0.028330 logGD-logG0= -0.004906 tlogG= -0.023938 logG= -0.028844 Density= 0.213805 ETOT(band)= -0.233765 trlgG= -0.293699 logG= -0.028844 TDE= -0.170890 Density= 0.216422 ETOT(band)= -0.231755 trlgG= -0.290589 logG= -0.028330 TDE= -0.170744 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.021920 logG= -0.027073 Density= 0.107896 ETOT(band)= -0.115360 trlgG= -0.143557 logG= -0.027073 TDE= -0.169877 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005508 tlogG= -0.023460 logG= -0.028968 Density= 0.215321 ETOT(band)= -0.233003 trlgG= -0.292689 logG= -0.028968 TDE= -0.170801 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023294 logG= -0.028541 Density= 0.215089 ETOT(band)= -0.232597 trlgG= -0.291191 logG= -0.028541 TDE= -0.170458 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004873 tlogG= -0.022429 logG= -0.027303 Density= 0.215246 ETOT(band)= -0.231598 trlgG= -0.289073 logG= -0.027303 TDE= -0.170099 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001243 tlogG= -0.005496 logG= -0.006740 Density= 0.081273 ETOT(band)= -0.086233 trlgG= -0.107374 logG= -0.006740 TDE= -0.042535 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001458 tlogG= -0.007996 logG= -0.009454 Density= 0.070949 ETOT(band)= -0.077816 trlgG= -0.097435 logG= -0.009454 TDE= -0.056910 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001291 tlogG= -0.005883 logG= -0.007175 Density= 0.080726 ETOT(band)= -0.087481 trlgG= -0.110161 logG= -0.007175 TDE= -0.042773 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005776 logG= -0.007052 Density= 0.080714 ETOT(band)= -0.087265 trlgG= -0.109606 logG= -0.007052 TDE= -0.042708 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004566 tlogG= -0.023680 logG= -0.028245 Density= 0.212865 ETOT(band)= -0.233591 trlgG= -0.292688 logG= -0.028245 TDE= -0.170539 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001296 tlogG= -0.005966 logG= -0.007263 Density= 0.080907 ETOT(band)= -0.087520 trlgG= -0.110357 logG= -0.007263 TDE= -0.042827 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004374 tlogG= -0.024225 logG= -0.028599 Density= 0.212420 ETOT(band)= -0.233964 trlgG= -0.293630 logG= -0.028599 TDE= -0.170821 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001607 tlogG= -0.006912 logG= -0.008519 Density= 0.040879 ETOT(band)= -0.042618 trlgG= -0.052805 logG= -0.008519 TDE= -0.056413 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005048 tlogG= -0.023000 logG= -0.028048 Density= 0.215022 ETOT(band)= -0.232040 trlgG= -0.289666 logG= -0.028048 TDE= -0.170276 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004509 tlogG= -0.023833 logG= -0.028343 logGD-logG0= -0.001600 tlogG= -0.007619 logG= -0.009219 Density= 0.071574 ETOT(band)= -0.077225 trlgG= -0.096146 logG= -0.009219 TDE= -0.056685 Density= 0.213331 ETOT(band)= -0.233192 trlgG= -0.291719 logG= -0.028343 TDE= -0.170624 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001295 tlogG= -0.006011 logG= -0.007306 Density= 0.081132 ETOT(band)= -0.087428 trlgG= -0.110416 logG= -0.007306 TDE= -0.042857 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023985 logG= -0.028664 Density= 0.213523 ETOT(band)= -0.233471 trlgG= -0.292456 logG= -0.028664 TDE= -0.170630 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024110 logG= -0.029409 Density= 0.215885 ETOT(band)= -0.233520 trlgG= -0.294810 logG= -0.029409 TDE= -0.171418 logGD-logG0= -0.005332 tlogG= -0.023908 logG= -0.029240 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215539 ETOT(band)= -0.233418 trlgG= -0.294158 logG= -0.029240 TDE= -0.171265 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023589 logG= -0.028916 Density= 0.215424 ETOT(band)= -0.232980 trlgG= -0.292892 logG= -0.028916 TDE= -0.171009 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.024108 logG= -0.029372 Density= 0.216541 ETOT(band)= -0.233018 trlgG= -0.294351 logG= -0.029372 TDE= -0.171436 logGD-logG0= -0.005391 tlogG= -0.024230 logG= -0.029621 Density= 0.215917 ETOT(band)= -0.233676 trlgG= -0.295225 logG= -0.029621 TDE= -0.171448 logGD-logG0= -0.004846 tlogG= -0.024108 logG= -0.028954 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321894 ETOT(band)= -0.350560 trlgG= -0.441302 logG= -0.028954 TDE= -0.171069 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005336 logG= -0.006560 Density= 0.081624 ETOT(band)= -0.085573 trlgG= -0.106222 logG= -0.006560 TDE= -0.042423 logGD-logG0= -0.005150 tlogG= -0.023949 logG= -0.029099 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215698 ETOT(band)= -0.233417 trlgG= -0.294256 logG= -0.029099 TDE= -0.170951 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.024065 logG= -0.029322 Density= 0.216574 ETOT(band)= -0.232915 trlgG= -0.294119 logG= -0.029322 TDE= -0.171409 logGD-logG0= -0.010555 tlogG= -0.048004 logG= -0.058559 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324634 ETOT(band)= -0.349428 trlgG= -0.441020 logG= -0.058559 TDE= -0.342712 logGD-logG0= -0.005151 tlogG= -0.024059 logG= -0.029210 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004652 tlogG= -0.024068 logG= -0.028720 Density= 0.214563 ETOT(band)= -0.233728 trlgG= -0.293878 logG= -0.029210 TDE= -0.170906 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.024265 logG= -0.029383 Density= 0.322757 ETOT(band)= -0.350692 trlgG= -0.441981 logG= -0.029383 TDE= -0.171076 Density= 0.213052 ETOT(band)= -0.233873 trlgG= -0.293445 logG= -0.028720 TDE= -0.170678 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.022549 logG= -0.027740 logGD-logG0= -0.005092 tlogG= -0.024259 logG= -0.029352 logGD-logG0= -0.005275 tlogG= -0.023871 logG= -0.029146 Density= 0.216467 ETOT(band)= -0.232714 trlgG= -0.293413 logG= -0.029146 TDE= -0.171268 Density= 0.216568 ETOT(band)= -0.230958 trlgG= -0.288607 logG= -0.027740 TDE= -0.170411 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214956 ETOT(band)= -0.233810 trlgG= -0.294502 logG= -0.029352 TDE= -0.171080 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010837 tlogG= -0.048254 logG= -0.059091 Density= 0.323551 ETOT(band)= -0.350473 trlgG= -0.442336 logG= -0.059091 TDE= -0.342698 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023980 logG= -0.028972 logGD-logG0= -0.010329 tlogG= -0.045841 logG= -0.056169 Density= 0.324347 ETOT(band)= -0.347446 trlgG= -0.434962 logG= -0.056169 TDE= -0.341144 Density= 0.214021 ETOT(band)= -0.233630 trlgG= -0.292960 logG= -0.028972 TDE= -0.170634 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.023470 logG= -0.028228 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321965 ETOT(band)= -0.349513 trlgG= -0.438726 logG= -0.028228 TDE= -0.170744 logGD-logG0= -0.010593 tlogG= -0.046635 logG= -0.057228 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324295 ETOT(band)= -0.348392 trlgG= -0.437580 logG= -0.057228 TDE= -0.341765 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010599 tlogG= -0.047454 logG= -0.058053 logGD-logG0= -0.005025 tlogG= -0.022394 logG= -0.027419 logGD-logG0= -0.004812 tlogG= -0.024109 logG= -0.028921 Density= 0.214493 ETOT(band)= -0.232070 trlgG= -0.289411 logG= -0.027419 TDE= -0.170011 Density= 0.214343 ETOT(band)= -0.233715 trlgG= -0.294100 logG= -0.028921 TDE= -0.171073 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324423 ETOT(band)= -0.349054 trlgG= -0.439668 logG= -0.058053 TDE= -0.342320 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.024189 logG= -0.029512 Density= 0.323368 ETOT(band)= -0.350676 trlgG= -0.442634 logG= -0.029512 TDE= -0.171261 logGD-logG0= -0.005439 tlogG= -0.024006 logG= -0.029444 Density= 0.215846 ETOT(band)= -0.233422 trlgG= -0.294538 logG= -0.029444 TDE= -0.171272 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005424 tlogG= -0.024065 logG= -0.029489 logGD-logG0= -0.004855 tlogG= -0.023346 logG= -0.028201 Density= 0.213734 ETOT(band)= -0.233230 trlgG= -0.292181 logG= -0.028201 TDE= -0.170587 logGD-logG0= -0.005105 tlogG= -0.023349 logG= -0.028454 Density= 0.322035 ETOT(band)= -0.350019 trlgG= -0.439571 logG= -0.028454 TDE= -0.170696 logGD-logG0= -0.009833 tlogG= -0.046811 logG= -0.056644 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323027 ETOT(band)= -0.348487 trlgG= -0.436384 logG= -0.056644 TDE= -0.341301 Density= 0.323957 ETOT(band)= -0.350156 trlgG= -0.442091 logG= -0.029489 TDE= -0.171320 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.023473 logG= -0.028199 Density= 0.214406 ETOT(band)= -0.233003 trlgG= -0.292308 logG= -0.028199 TDE= -0.170752 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001717 tlogG= -0.007154 logG= -0.008872 Density= 0.072294 ETOT(band)= -0.076372 trlgG= -0.094846 logG= -0.008872 TDE= -0.056572 logGD-logG0= -0.005486 tlogG= -0.023792 logG= -0.029278 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215614 ETOT(band)= -0.233268 trlgG= -0.293835 logG= -0.029278 TDE= -0.171094 logGD-logG0= -0.009786 tlogG= -0.048044 logG= -0.057829 Density= 0.428488 ETOT(band)= -0.467410 trlgG= -0.587780 logG= -0.057829 TDE= -0.341951 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009107 tlogG= -0.048285 logG= -0.057392 Density= 0.426023 ETOT(band)= -0.467543 trlgG= -0.586370 logG= -0.057392 TDE= -0.341469 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009650 tlogG= -0.046812 logG= -0.056462 logGD-logG0= -0.004982 tlogG= -0.021414 logG= -0.026397 Density= 0.428552 ETOT(band)= -0.466106 trlgG= -0.584386 logG= -0.056462 TDE= -0.341322 Density= 0.162787 ETOT(band)= -0.172750 trlgG= -0.215930 logG= -0.026397 TDE= -0.169730 logGD-logG0= -0.009604 tlogG= -0.046902 logG= -0.056506 Density= 0.428360 ETOT(band)= -0.465376 trlgG= -0.581771 logG= -0.056506 TDE= -0.340903 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010291 tlogG= -0.048354 logG= -0.058645 Density= 0.429735 ETOT(band)= -0.467548 trlgG= -0.588560 logG= -0.058645 TDE= -0.342001 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.047871 logG= -0.058272 Density= 0.428744 ETOT(band)= -0.467397 trlgG= -0.587110 logG= -0.058272 TDE= -0.341592 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.048280 logG= -0.058915 Density= 0.430563 ETOT(band)= -0.467400 trlgG= -0.589000 logG= -0.058915 TDE= -0.342326 logGD-logG0= -0.010459 tlogG= -0.048163 logG= -0.058622 Density= 0.429640 ETOT(band)= -0.467507 trlgG= -0.588193 logG= -0.058622 TDE= -0.341830 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010426 tlogG= -0.048429 logG= -0.058854 Density= 0.430458 ETOT(band)= -0.467568 trlgG= -0.589326 logG= -0.058854 TDE= -0.342200 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.048060 logG= -0.058023 Density= 0.429571 ETOT(band)= -0.467208 trlgG= -0.587778 logG= -0.058023 TDE= -0.341943 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010903 tlogG= -0.047908 logG= -0.058811 logGD-logG0= -0.009799 tlogG= -0.047845 logG= -0.057644 Density= 0.431496 ETOT(band)= -0.466789 trlgG= -0.588669 logG= -0.058811 TDE= -0.342452 Density= 0.427146 ETOT(band)= -0.467593 trlgG= -0.586885 logG= -0.057644 TDE= -0.341479 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009754 tlogG= -0.047963 logG= -0.057717 Density= 0.427647 ETOT(band)= -0.467152 trlgG= -0.585747 logG= -0.057717 TDE= -0.341183 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010804 tlogG= -0.047939 logG= -0.058744 logGD-logG0= -0.010828 tlogG= -0.048234 logG= -0.059062 Density= 0.431731 ETOT(band)= -0.467076 trlgG= -0.589665 logG= -0.059062 TDE= -0.342717 logGD-logG0= -0.010078 tlogG= -0.046606 logG= -0.056684 Density= 0.429975 ETOT(band)= -0.464839 trlgG= -0.581479 logG= -0.056684 TDE= -0.341020 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431161 ETOT(band)= -0.466837 trlgG= -0.588301 logG= -0.058744 TDE= -0.342345 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001206 tlogG= -0.005200 logG= -0.006406 Density= 0.062603 ETOT(band)= -0.067438 trlgG= -0.084203 logG= -0.006406 TDE= -0.042322 logGD-logG0= -0.010462 tlogG= -0.047138 logG= -0.057601 Density= 0.430313 ETOT(band)= -0.465765 trlgG= -0.584163 logG= -0.057601 TDE= -0.341297 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010142 tlogG= -0.047764 logG= -0.057906 logGD-logG0= -0.010863 tlogG= -0.047478 logG= -0.058340 Density= 0.429055 ETOT(band)= -0.466748 trlgG= -0.586163 logG= -0.057906 TDE= -0.341638 Density= 0.430899 ETOT(band)= -0.466407 trlgG= -0.586826 logG= -0.058340 TDE= -0.341961 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.021464 logG= -0.026528 Density= 0.217207 ETOT(band)= -0.228864 trlgG= -0.284303 logG= -0.026528 TDE= -0.169742 logGD-logG0= -0.010388 tlogG= -0.047778 logG= -0.058166 Density= 0.430435 ETOT(band)= -0.466416 trlgG= -0.586094 logG= -0.058166 TDE= -0.341741 logGD-logG0= -0.004914 tlogG= -0.022430 logG= -0.027344 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323193 ETOT(band)= -0.347457 trlgG= -0.433995 logG= -0.027344 TDE= -0.170094 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005152 tlogG= -0.021992 logG= -0.027144 Density= 0.216820 ETOT(band)= -0.229963 trlgG= -0.286499 logG= -0.027144 TDE= -0.170073 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005000 tlogG= -0.022567 logG= -0.027567 Density= 0.215246 ETOT(band)= -0.231307 trlgG= -0.288026 logG= -0.027567 TDE= -0.170024 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010124 tlogG= -0.044830 logG= -0.054954 Density= 0.324589 ETOT(band)= -0.346178 trlgG= -0.431959 logG= -0.054954 TDE= -0.340469 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009972 tlogG= -0.044830 logG= -0.054802 Density= 0.432024 ETOT(band)= -0.461403 trlgG= -0.574731 logG= -0.054802 TDE= -0.340106 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005023 tlogG= -0.021319 logG= -0.026342 Density= 0.216546 ETOT(band)= -0.229710 trlgG= -0.285546 logG= -0.026342 TDE= -0.169649 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.326803329203 eV TrLogG= -407.388100657949 eV Ratio to renormalize= 0.999035797621 rho-rho_expected= 0.021232925171 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964286500768140 0.939704316792693 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002363 tlogG= -0.011451 logG= -0.013813 Density= 0.053762 ETOT(band)= -0.057992 trlgG= -0.072448 logG= -0.013813 TDE= -0.085239 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014241 Density= 0.053588 ETOT(band)= -0.058321 trlgG= -0.073211 logG= -0.014241 TDE= -0.085488 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022177 logG= -0.027193 Density= 0.108401 ETOT(band)= -0.115286 trlgG= -0.143862 logG= -0.027193 TDE= -0.170311 logGD-logG0= -0.005048 tlogG= -0.023657 logG= -0.028705 Density= 0.107032 ETOT(band)= -0.116770 trlgG= -0.146179 logG= -0.028705 TDE= -0.170440 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.022885 logG= -0.028053 Density= 0.107665 ETOT(band)= -0.116144 trlgG= -0.145233 logG= -0.028053 TDE= -0.170458 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004940 tlogG= -0.024074 logG= -0.029014 Density= 0.107108 ETOT(band)= -0.116935 trlgG= -0.147053 logG= -0.029014 TDE= -0.171042 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023208 logG= -0.028566 Density= 0.107729 ETOT(band)= -0.116394 trlgG= -0.146043 logG= -0.028566 TDE= -0.170787 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004801 tlogG= -0.022858 logG= -0.027658 Density= 0.107350 ETOT(band)= -0.116079 trlgG= -0.144946 logG= -0.027658 TDE= -0.170410 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002450 tlogG= -0.012085 logG= -0.014534 logGD-logG0= -0.002632 tlogG= -0.012036 logG= -0.014668 Density= 0.053609 ETOT(band)= -0.058466 trlgG= -0.073573 logG= -0.014534 TDE= -0.085567 Density= 0.053785 ETOT(band)= -0.058457 trlgG= -0.073630 logG= -0.014668 TDE= -0.085578 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001504 tlogG= -0.007813 logG= -0.009317 Density= 0.035513 ETOT(band)= -0.038869 trlgG= -0.048568 logG= -0.009317 TDE= -0.056825 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009469 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035335 ETOT(band)= -0.039018 trlgG= -0.048931 logG= -0.009469 TDE= -0.056948 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002593 tlogG= -0.011986 logG= -0.014578 Density= 0.054155 ETOT(band)= -0.058225 trlgG= -0.073500 logG= -0.014578 TDE= -0.085720 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002662 tlogG= -0.011989 logG= -0.014650 Density= 0.054003 ETOT(band)= -0.058343 trlgG= -0.073618 logG= -0.014650 TDE= -0.085691 logGD-logG0= -0.005206 tlogG= -0.023953 logG= -0.029159 Density= 0.108265 ETOT(band)= -0.116473 trlgG= -0.147004 logG= -0.029159 TDE= -0.171420 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023767 logG= -0.028985 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108215 ETOT(band)= -0.116398 trlgG= -0.146724 logG= -0.028985 TDE= -0.171290 logGD-logG0= -0.005212 tlogG= -0.023434 logG= -0.028646 Density= 0.108170 ETOT(band)= -0.116234 trlgG= -0.146188 logG= -0.028646 TDE= -0.171070 logGD-logG0= -0.004596 tlogG= -0.024055 logG= -0.028651 logGD-logG0= -0.004401 tlogG= -0.023981 logG= -0.028382 Density= 0.106233 ETOT(band)= -0.116948 trlgG= -0.146556 logG= -0.028382 TDE= -0.170744 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.023696 logG= -0.028584 Density= 0.106449 ETOT(band)= -0.116983 trlgG= -0.146683 logG= -0.028651 TDE= -0.170709 Density= 0.107428 ETOT(band)= -0.116567 trlgG= -0.146291 logG= -0.028584 TDE= -0.170868 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.022988 logG= -0.028156 Density= 0.108177 ETOT(band)= -0.115963 trlgG= -0.145413 logG= -0.028156 TDE= -0.170788 logGD-logG0= -0.005099 tlogG= -0.022464 logG= -0.027563 logGD-logG0= -0.005336 tlogG= -0.024081 logG= -0.029417 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108246 ETOT(band)= -0.115590 trlgG= -0.144467 logG= -0.027563 TDE= -0.170470 Density= 0.107687 ETOT(band)= -0.116916 trlgG= -0.147406 logG= -0.029417 TDE= -0.171278 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023213 logG= -0.027890 Density= 0.106796 ETOT(band)= -0.116456 trlgG= -0.145356 logG= -0.027890 TDE= -0.170313 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.022858 logG= -0.027781 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107796 ETOT(band)= -0.115941 trlgG= -0.144826 logG= -0.027781 TDE= -0.170388 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005388 tlogG= -0.024134 logG= -0.029522 Density= 0.107853 ETOT(band)= -0.116914 trlgG= -0.147598 logG= -0.029522 TDE= -0.171446 logGD-logG0= -0.005356 tlogG= -0.024088 logG= -0.029444 Density= 0.107928 ETOT(band)= -0.116828 trlgG= -0.147474 logG= -0.029444 TDE= -0.171439 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023691 logG= -0.029036 Density= 0.107281 ETOT(band)= -0.116845 trlgG= -0.146732 logG= -0.029036 TDE= -0.170785 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005368 tlogG= -0.023914 logG= -0.029282 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.023975 logG= -0.029263 Density= 0.107491 ETOT(band)= -0.116900 trlgG= -0.147131 logG= -0.029263 TDE= -0.171060 Density= 0.107794 ETOT(band)= -0.116784 trlgG= -0.147193 logG= -0.029282 TDE= -0.171254 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023221 logG= -0.028383 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108234 ETOT(band)= -0.116058 trlgG= -0.145770 logG= -0.028383 TDE= -0.170947 logGD-logG0= -0.005194 tlogG= -0.023609 logG= -0.028803 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108241 ETOT(band)= -0.116282 trlgG= -0.146434 logG= -0.028803 TDE= -0.171194 logGD-logG0= -0.005072 tlogG= -0.022416 logG= -0.027488 Density= 0.107685 ETOT(band)= -0.115810 trlgG= -0.144338 logG= -0.027488 TDE= -0.170138 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004787 tlogG= -0.023510 logG= -0.028297 Density= 0.106831 ETOT(band)= -0.116648 trlgG= -0.145843 logG= -0.028297 TDE= -0.170411 logGD-logG0= -0.005095 tlogG= -0.022740 logG= -0.027835 logGD-logG0= -0.004731 tlogG= -0.023679 logG= -0.028410 Density= 0.106657 ETOT(band)= -0.116792 trlgG= -0.146264 logG= -0.028410 TDE= -0.170633 logGD-logG0= -0.004767 tlogG= -0.023691 logG= -0.028459 Density= 0.107030 ETOT(band)= -0.116680 trlgG= -0.146375 logG= -0.028459 TDE= -0.170880 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023875 logG= -0.029067 logGD-logG0= -0.004374 tlogG= -0.024058 logG= -0.028431 Density= 0.108290 ETOT(band)= -0.115728 trlgG= -0.144904 logG= -0.027835 TDE= -0.170656 Density= 0.106181 ETOT(band)= -0.116991 trlgG= -0.146668 logG= -0.028431 TDE= -0.170781 logGD-logG0= -0.004952 tlogG= -0.023907 logG= -0.028859 Density= 0.106813 ETOT(band)= -0.116949 trlgG= -0.146794 logG= -0.028859 TDE= -0.170791 Density= 0.108285 ETOT(band)= -0.116409 trlgG= -0.146855 logG= -0.029067 TDE= -0.171373 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023872 logG= -0.029214 Density= 0.107956 ETOT(band)= -0.116655 trlgG= -0.147091 logG= -0.029214 TDE= -0.171299 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.024100 logG= -0.029152 logGD-logG0= -0.009901 tlogG= -0.048256 logG= -0.058157 Density= 0.214502 ETOT(band)= -0.233832 trlgG= -0.294187 logG= -0.058157 TDE= -0.342175 logGD-logG0= -0.005379 tlogG= -0.023582 logG= -0.028960 Density= 0.107427 ETOT(band)= -0.116878 trlgG= -0.147034 logG= -0.029152 TDE= -0.171042 Density= 0.107843 ETOT(band)= -0.116557 trlgG= -0.146674 logG= -0.028960 TDE= -0.171080 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.045774 logG= -0.055365 logGD-logG0= -0.009213 tlogG= -0.047649 logG= -0.056861 Density= 0.215120 ETOT(band)= -0.231997 trlgG= -0.289800 logG= -0.055365 TDE= -0.340888 Density= 0.213047 ETOT(band)= -0.233704 trlgG= -0.292669 logG= -0.056861 TDE= -0.341234 logGD-logG0= -0.005331 tlogG= -0.024060 logG= -0.029391 Density= 0.107987 ETOT(band)= -0.116761 trlgG= -0.147387 logG= -0.029391 TDE= -0.171434 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047763 logG= -0.058385 Density= 0.214853 ETOT(band)= -0.233762 trlgG= -0.294012 logG= -0.058385 TDE= -0.341947 logGD-logG0= -0.010046 tlogG= -0.047911 logG= -0.057958 logGD-logG0= -0.009767 tlogG= -0.047169 logG= -0.056937 Density= 0.213879 ETOT(band)= -0.233416 trlgG= -0.292600 logG= -0.056937 TDE= -0.341501 Density= 0.214075 ETOT(band)= -0.233864 trlgG= -0.293867 logG= -0.057958 TDE= -0.341845 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047181 logG= -0.057092 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009541 tlogG= -0.047459 logG= -0.057000 Density= 0.214416 ETOT(band)= -0.233254 trlgG= -0.292739 logG= -0.057000 TDE= -0.341842 logGD-logG0= -0.009636 tlogG= -0.047956 logG= -0.057592 Density= 0.213890 ETOT(band)= -0.233461 trlgG= -0.292393 logG= -0.057092 TDE= -0.341144 logGD-logG0= -0.010577 tlogG= -0.048099 logG= -0.058676 Density= 0.213388 ETOT(band)= -0.233918 trlgG= -0.293307 logG= -0.057592 TDE= -0.341310 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001710 tlogG= -0.007307 logG= -0.009017 Density= 0.035861 ETOT(band)= -0.038524 trlgG= -0.047875 logG= -0.009017 TDE= -0.056604 Density= 0.215163 ETOT(band)= -0.233819 trlgG= -0.294527 logG= -0.058676 TDE= -0.342324 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010485 tlogG= -0.047803 logG= -0.058289 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214754 ETOT(band)= -0.233754 trlgG= -0.293841 logG= -0.058289 TDE= -0.341823 logGD-logG0= -0.002435 tlogG= -0.010430 logG= -0.012865 Density= 0.054397 ETOT(band)= -0.057003 trlgG= -0.070652 logG= -0.012865 TDE= -0.084705 logGD-logG0= -0.001646 tlogG= -0.006994 logG= -0.008640 Density= 0.036209 ETOT(band)= -0.038080 trlgG= -0.047219 logG= -0.008640 TDE= -0.056498 logGD-logG0= -0.010423 tlogG= -0.048000 logG= -0.058423 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215166 ETOT(band)= -0.233674 trlgG= -0.294111 logG= -0.058423 TDE= -0.342163 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.045666 logG= -0.055639 Density= 0.215251 ETOT(band)= -0.232075 trlgG= -0.289795 logG= -0.055639 TDE= -0.340673 logGD-logG0= -0.010276 tlogG= -0.047682 logG= -0.057958 logGD-logG0= -0.010660 tlogG= -0.047945 logG= -0.058605 Density= 0.214056 ETOT(band)= -0.233851 trlgG= -0.293620 logG= -0.057958 TDE= -0.341588 Density= 0.215978 ETOT(band)= -0.233395 trlgG= -0.294477 logG= -0.058605 TDE= -0.342748 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046433 logG= -0.056715 logGD-logG0= -0.010656 tlogG= -0.048035 logG= -0.058691 Density= 0.215199 ETOT(band)= -0.233811 trlgG= -0.294554 logG= -0.058691 TDE= -0.342354 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002494 tlogG= -0.010845 logG= -0.013339 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215312 ETOT(band)= -0.232640 trlgG= -0.291421 logG= -0.056715 TDE= -0.341253 Density= 0.054086 ETOT(band)= -0.057517 trlgG= -0.071494 logG= -0.013339 TDE= -0.084919 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047532 logG= -0.058265 Density= 0.215785 ETOT(band)= -0.233275 trlgG= -0.293911 logG= -0.058265 TDE= -0.342427 logGD-logG0= -0.010768 tlogG= -0.048168 logG= -0.058936 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215511 ETOT(band)= -0.233840 trlgG= -0.294996 logG= -0.058936 TDE= -0.342705 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010714 tlogG= -0.047893 logG= -0.058607 Density= 0.215851 ETOT(band)= -0.233465 trlgG= -0.294476 logG= -0.058607 TDE= -0.342683 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010676 tlogG= -0.047447 logG= -0.058123 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.047337 logG= -0.057836 Density= 0.215556 ETOT(band)= -0.233312 trlgG= -0.293667 logG= -0.058123 TDE= -0.342212 Density= 0.214366 ETOT(band)= -0.233648 trlgG= -0.293096 logG= -0.057836 TDE= -0.341339 logGD-logG0= -0.009895 tlogG= -0.047238 logG= -0.057133 Density= 0.214580 ETOT(band)= -0.233218 trlgG= -0.292516 logG= -0.057133 TDE= -0.341568 logGD-logG0= -0.010169 tlogG= -0.048044 logG= -0.058213 Density= 0.214631 ETOT(band)= -0.233781 trlgG= -0.293939 logG= -0.058213 TDE= -0.341936 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009870 tlogG= -0.045602 logG= -0.055471 logGD-logG0= -0.010719 tlogG= -0.046904 logG= -0.057623 Density= 0.214474 ETOT(band)= -0.232339 trlgG= -0.289969 logG= -0.055471 TDE= -0.340630 Density= 0.215520 ETOT(band)= -0.233035 trlgG= -0.292867 logG= -0.057623 TDE= -0.341894 logGD-logG0= -0.010194 tlogG= -0.047172 logG= -0.057366 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215246 ETOT(band)= -0.233041 trlgG= -0.292436 logG= -0.057366 TDE= -0.341584 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.022997 logG= -0.027762 Density= 0.106931 ETOT(band)= -0.116327 trlgG= -0.145092 logG= -0.027762 TDE= -0.170245 logGD-logG0= -0.005052 tlogG= -0.021883 logG= -0.026935 Density= 0.108366 ETOT(band)= -0.115101 trlgG= -0.143414 logG= -0.026935 TDE= -0.170104 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.021573 logG= -0.026539 Density= 0.108554 ETOT(band)= -0.114737 trlgG= -0.142737 logG= -0.026539 TDE= -0.169916 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004887 tlogG= -0.020998 logG= -0.025884 Density= 0.108748 ETOT(band)= -0.114152 trlgG= -0.141583 logG= -0.025884 TDE= -0.169513 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005131 tlogG= -0.021825 logG= -0.026955 Density= 0.107838 ETOT(band)= -0.115383 trlgG= -0.143467 logG= -0.026955 TDE= -0.169875 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005072 tlogG= -0.021701 logG= -0.026773 Density= 0.107979 ETOT(band)= -0.115193 trlgG= -0.143160 logG= -0.026773 TDE= -0.169820 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 Density= 0.080874 ETOT(band)= -0.086856 trlgG= -0.108537 logG= -0.006873 TDE= -0.042631 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010138 tlogG= -0.043406 logG= -0.053543 Density= 0.216368 ETOT(band)= -0.230180 trlgG= -0.286301 logG= -0.053543 TDE= -0.339828 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.080673 ETOT(band)= -0.087283 trlgG= -0.109538 logG= -0.007022 TDE= -0.042707 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.023896 logG= -0.028857 Density= 0.213898 ETOT(band)= -0.233690 trlgG= -0.292787 logG= -0.028857 TDE= -0.170633 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.022448 logG= -0.027622 Density= 0.216459 ETOT(band)= -0.230998 trlgG= -0.288422 logG= -0.027622 TDE= -0.170410 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.024012 logG= -0.028805 Density= 0.214225 ETOT(band)= -0.233770 trlgG= -0.293923 logG= -0.028805 TDE= -0.171072 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023208 logG= -0.028424 Density= 0.214970 ETOT(band)= -0.232649 trlgG= -0.291014 logG= -0.028424 TDE= -0.170456 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023368 logG= -0.028851 Density= 0.215202 ETOT(band)= -0.233053 trlgG= -0.292511 logG= -0.028851 TDE= -0.170800 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022333 logG= -0.027185 Density= 0.215132 ETOT(band)= -0.231649 trlgG= -0.288893 logG= -0.027185 TDE= -0.170097 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001293 tlogG= -0.005940 logG= -0.007233 Density= 0.080864 ETOT(band)= -0.087537 trlgG= -0.110289 logG= -0.007233 TDE= -0.042826 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005857 logG= -0.007145 Density= 0.080683 ETOT(band)= -0.087499 trlgG= -0.110093 logG= -0.007145 TDE= -0.042772 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005985 logG= -0.007276 Density= 0.081090 ETOT(band)= -0.087443 trlgG= -0.110347 logG= -0.007276 TDE= -0.042856 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001449 tlogG= -0.007967 logG= -0.009417 Density= 0.070909 ETOT(band)= -0.077837 trlgG= -0.097378 logG= -0.009417 TDE= -0.056909 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024003 logG= -0.029291 Density= 0.215770 ETOT(band)= -0.233564 trlgG= -0.294628 logG= -0.029291 TDE= -0.171416 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023495 logG= -0.028798 Density= 0.215308 ETOT(band)= -0.233027 trlgG= -0.292712 logG= -0.028798 TDE= -0.171007 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024002 logG= -0.029253 Density= 0.216430 ETOT(band)= -0.233056 trlgG= -0.294166 logG= -0.029253 TDE= -0.171434 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004482 tlogG= -0.023747 logG= -0.028228 Density= 0.213210 ETOT(band)= -0.233256 trlgG= -0.291547 logG= -0.028228 TDE= -0.170622 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004538 tlogG= -0.023593 logG= -0.028131 Density= 0.212745 ETOT(band)= -0.233657 trlgG= -0.292517 logG= -0.028131 TDE= -0.170538 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004650 tlogG= -0.023899 logG= -0.028549 Density= 0.213400 ETOT(band)= -0.233534 trlgG= -0.292285 logG= -0.028549 TDE= -0.170629 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.024012 logG= -0.028837 Density= 0.321718 ETOT(band)= -0.350640 trlgG= -0.441036 logG= -0.028837 TDE= -0.171068 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.023801 logG= -0.029122 Density= 0.215423 ETOT(band)= -0.233465 trlgG= -0.293977 logG= -0.029122 TDE= -0.171264 logGD-logG0= -0.001202 tlogG= -0.005173 logG= -0.006375 logGD-logG0= -0.001602 tlogG= -0.006877 logG= -0.008479 Density= 0.040861 ETOT(band)= -0.042623 trlgG= -0.052769 logG= -0.008479 TDE= -0.056412 logGD-logG0= -0.005380 tlogG= -0.024123 logG= -0.029503 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215802 ETOT(band)= -0.233719 trlgG= -0.295042 logG= -0.029503 TDE= -0.171447 Density= 0.062571 ETOT(band)= -0.067453 trlgG= -0.084150 logG= -0.006375 TDE= -0.042322 logGD-logG0= -0.005127 tlogG= -0.023854 logG= -0.028982 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215583 ETOT(band)= -0.233462 trlgG= -0.294075 logG= -0.028982 TDE= -0.170950 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007591 logG= -0.009180 logGD-logG0= -0.005131 tlogG= -0.023963 logG= -0.029094 Density= 0.214442 ETOT(band)= -0.233783 trlgG= -0.293702 logG= -0.029094 TDE= -0.170905 logGD-logG0= -0.004623 tlogG= -0.023982 logG= -0.028605 Density= 0.212930 ETOT(band)= -0.233938 trlgG= -0.293273 logG= -0.028605 TDE= -0.170677 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071534 ETOT(band)= -0.077244 trlgG= -0.096087 logG= -0.009180 TDE= -0.056685 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.022916 logG= -0.027932 Density= 0.214903 ETOT(band)= -0.232093 trlgG= -0.289488 logG= -0.027932 TDE= -0.170275 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010531 tlogG= -0.047791 logG= -0.058322 logGD-logG0= -0.005071 tlogG= -0.024164 logG= -0.029235 Density= 0.324467 ETOT(band)= -0.349487 trlgG= -0.440744 logG= -0.058322 TDE= -0.342709 Density= 0.214837 ETOT(band)= -0.233861 trlgG= -0.294324 logG= -0.029235 TDE= -0.171079 logGD-logG0= -0.005097 tlogG= -0.024169 logG= -0.029266 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322581 ETOT(band)= -0.350766 trlgG= -0.441712 logG= -0.029266 TDE= -0.171075 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.047241 logG= -0.057816 logGD-logG0= -0.005269 tlogG= -0.023418 logG= -0.028687 Density= 0.324255 ETOT(band)= -0.349116 trlgG= -0.439392 logG= -0.057816 TDE= -0.342318 logGD-logG0= -0.010800 tlogG= -0.048055 logG= -0.058856 Density= 0.216280 ETOT(band)= -0.232371 trlgG= -0.292019 logG= -0.028687 TDE= -0.171029 logGD-logG0= -0.005428 tlogG= -0.023899 logG= -0.029327 Density= 0.215730 ETOT(band)= -0.233466 trlgG= -0.294356 logG= -0.029327 TDE= -0.171271 Density= 0.323377 ETOT(band)= -0.350541 trlgG= -0.442064 logG= -0.058856 TDE= -0.342696 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023374 logG= -0.028112 Density= 0.321793 ETOT(band)= -0.349592 trlgG= -0.438458 logG= -0.028112 TDE= -0.170743 logGD-logG0= -0.010281 tlogG= -0.045652 logG= -0.055933 Density= 0.324180 ETOT(band)= -0.347509 trlgG= -0.434686 logG= -0.055933 TDE= -0.341141 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.046620 logG= -0.056410 logGD-logG0= -0.005263 tlogG= -0.023765 logG= -0.029028 Density= 0.216356 ETOT(band)= -0.232753 trlgG= -0.293228 logG= -0.029028 TDE= -0.171267 Density= 0.322855 ETOT(band)= -0.348560 trlgG= -0.436114 logG= -0.056410 TDE= -0.341299 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024095 logG= -0.029395 logGD-logG0= -0.005239 tlogG= -0.022973 logG= -0.028212 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323194 ETOT(band)= -0.350746 trlgG= -0.442363 logG= -0.029395 TDE= -0.171260 Density= 0.216312 ETOT(band)= -0.231796 trlgG= -0.290404 logG= -0.028212 TDE= -0.170743 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.023255 logG= -0.028337 Density= 0.321857 ETOT(band)= -0.350100 trlgG= -0.439306 logG= -0.028337 TDE= -0.170695 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023959 logG= -0.029203 Density= 0.216464 ETOT(band)= -0.232953 trlgG= -0.293934 logG= -0.029203 TDE= -0.171408 logGD-logG0= -0.010568 tlogG= -0.046424 logG= -0.056992 Density= 0.324127 ETOT(band)= -0.348455 trlgG= -0.437304 logG= -0.056992 TDE= -0.341762 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.023249 logG= -0.028086 Density= 0.213615 ETOT(band)= -0.233290 trlgG= -0.292007 logG= -0.028086 TDE= -0.170585 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.023841 logG= -0.028728 Density= 0.213685 ETOT(band)= -0.233825 trlgG= -0.293525 logG= -0.028728 TDE= -0.170889 logGD-logG0= -0.004347 tlogG= -0.024138 logG= -0.028485 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212301 ETOT(band)= -0.234031 trlgG= -0.293460 logG= -0.028485 TDE= -0.170819 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005413 tlogG= -0.023958 logG= -0.029371 Density= 0.323785 ETOT(band)= -0.350221 trlgG= -0.441818 logG= -0.029371 TDE= -0.171319 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214291 ETOT(band)= -0.233057 trlgG= -0.292130 logG= -0.028082 TDE= -0.170751 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005475 tlogG= -0.023685 logG= -0.029160 Density= 0.215497 ETOT(band)= -0.233315 trlgG= -0.293655 logG= -0.029160 TDE= -0.171093 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009050 tlogG= -0.048113 logG= -0.057163 Density= 0.425780 ETOT(band)= -0.467673 trlgG= -0.586028 logG= -0.057163 TDE= -0.341467 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.048162 logG= -0.058412 Density= 0.429496 ETOT(band)= -0.467653 trlgG= -0.588206 logG= -0.058412 TDE= -0.341998 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.047850 logG= -0.057597 Density= 0.428250 ETOT(band)= -0.467522 trlgG= -0.587429 logG= -0.057597 TDE= -0.341949 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010417 tlogG= -0.047972 logG= -0.058389 Density= 0.429401 ETOT(band)= -0.467613 trlgG= -0.587839 logG= -0.058389 TDE= -0.341827 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.021309 logG= -0.026277 Density= 0.162708 ETOT(band)= -0.172777 trlgG= -0.215788 logG= -0.026277 TDE= -0.169728 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009611 tlogG= -0.046619 logG= -0.056230 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006530 Density= 0.081586 ETOT(band)= -0.085584 trlgG= -0.106150 logG= -0.006530 TDE= -0.042423 Density= 0.428317 ETOT(band)= -0.466218 trlgG= -0.584034 logG= -0.056230 TDE= -0.341320 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010590 tlogG= -0.048090 logG= -0.058680 Density= 0.430328 ETOT(band)= -0.467498 trlgG= -0.588642 logG= -0.058680 TDE= -0.342324 logGD-logG0= -0.009738 tlogG= -0.047676 logG= -0.057413 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426902 ETOT(band)= -0.467716 trlgG= -0.586540 logG= -0.057413 TDE= -0.341476 logGD-logG0= -0.010381 tlogG= -0.048239 logG= -0.058620 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430222 ETOT(band)= -0.467666 trlgG= -0.588968 logG= -0.058620 TDE= -0.342198 logGD-logG0= -0.010881 tlogG= -0.047695 logG= -0.058576 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431264 ETOT(band)= -0.466880 trlgG= -0.588307 logG= -0.058576 TDE= -0.342449 logGD-logG0= -0.010353 tlogG= -0.047687 logG= -0.058040 Density= 0.428501 ETOT(band)= -0.467510 trlgG= -0.586760 logG= -0.058040 TDE= -0.341589 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009692 tlogG= -0.047794 logG= -0.057486 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010757 tlogG= -0.047751 logG= -0.058509 Density= 0.427403 ETOT(band)= -0.467273 trlgG= -0.585402 logG= -0.057486 TDE= -0.341180 Density= 0.430928 ETOT(band)= -0.466931 trlgG= -0.587941 logG= -0.058509 TDE= -0.342342 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010806 tlogG= -0.048020 logG= -0.058826 Density= 0.431501 ETOT(band)= -0.467164 trlgG= -0.589301 logG= -0.058826 TDE= -0.342714 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.046948 logG= -0.057367 Density= 0.430077 ETOT(band)= -0.465867 trlgG= -0.583806 logG= -0.057367 TDE= -0.341294 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.047572 logG= -0.057674 logGD-logG0= -0.010038 tlogG= -0.046414 logG= -0.056452 Density= 0.429740 ETOT(band)= -0.464944 trlgG= -0.581124 logG= -0.056452 TDE= -0.341017 Density= 0.428817 ETOT(band)= -0.466858 trlgG= -0.585811 logG= -0.057674 TDE= -0.341636 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001713 tlogG= -0.007119 logG= -0.008832 Density= 0.072259 ETOT(band)= -0.076385 trlgG= -0.094784 logG= -0.008832 TDE= -0.056572 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004892 tlogG= -0.022335 logG= -0.027227 Density= 0.323023 ETOT(band)= -0.347529 trlgG= -0.433724 logG= -0.027227 TDE= -0.170092 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009922 tlogG= -0.047868 logG= -0.057790 Density= 0.429335 ETOT(band)= -0.467313 trlgG= -0.587423 logG= -0.057790 TDE= -0.341940 logGD-logG0= -0.010817 tlogG= -0.047289 logG= -0.058106 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430664 ETOT(band)= -0.466503 trlgG= -0.586467 logG= -0.058106 TDE= -0.341958 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010344 tlogG= -0.047588 logG= -0.057932 Density= 0.430200 ETOT(band)= -0.466516 trlgG= -0.585736 logG= -0.057932 TDE= -0.341738 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005470 logG= -0.006710 logGD-logG0= -0.004969 tlogG= -0.022481 logG= -0.027451 Density= 0.215129 ETOT(band)= -0.231359 trlgG= -0.287848 logG= -0.027451 TDE= -0.170023 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081233 ETOT(band)= -0.086248 trlgG= -0.107304 logG= -0.006710 TDE= -0.042534 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010078 tlogG= -0.044641 logG= -0.054718 Density= 0.324424 ETOT(band)= -0.346241 trlgG= -0.431682 logG= -0.054718 TDE= -0.340466 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009545 tlogG= -0.046732 logG= -0.056276 Density= 0.428121 ETOT(band)= -0.465492 trlgG= -0.581422 logG= -0.056276 TDE= -0.340900 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.021887 logG= -0.027025 Density= 0.216713 ETOT(band)= -0.230002 trlgG= -0.286311 logG= -0.027025 TDE= -0.170072 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005051 tlogG= -0.021358 logG= -0.026409 Density= 0.217102 ETOT(band)= -0.228899 trlgG= -0.284113 logG= -0.026409 TDE= -0.169741 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021213 logG= -0.026223 Density= 0.216436 ETOT(band)= -0.229752 trlgG= -0.285360 logG= -0.026223 TDE= -0.169647 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.022298 logG= -0.027302 Density= 0.214374 ETOT(band)= -0.232126 trlgG= -0.289235 logG= -0.027302 TDE= -0.170010 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009929 tlogG= -0.044639 logG= -0.054568 Density= 0.431800 ETOT(band)= -0.461494 trlgG= -0.574366 logG= -0.054568 TDE= -0.340103 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.396520981842 eV TrLogG= -407.058600643375 eV Ratio to renormalize= 0.999575753626 rho-rho_expected= 0.009337381586 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964293926887352 0.939704377651976 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004374 tlogG= -0.024056 logG= -0.028430 Density= 0.106180 ETOT(band)= -0.116987 trlgG= -0.146663 logG= -0.028430 TDE= -0.170776 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004678 tlogG= -0.023211 logG= -0.027889 Density= 0.106795 ETOT(band)= -0.116452 trlgG= -0.145350 logG= -0.027889 TDE= -0.170309 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.022415 logG= -0.027487 logGD-logG0= -0.004765 tlogG= -0.022996 logG= -0.027761 Density= 0.106930 ETOT(band)= -0.116323 trlgG= -0.145087 logG= -0.027761 TDE= -0.170240 Density= 0.107684 ETOT(band)= -0.115806 trlgG= -0.144333 logG= -0.027487 TDE= -0.170134 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001646 tlogG= -0.006994 logG= -0.008640 logGD-logG0= -0.002435 tlogG= -0.010430 logG= -0.012865 Density= 0.054396 ETOT(band)= -0.057002 trlgG= -0.070650 logG= -0.012865 TDE= -0.084703 Density= 0.036209 ETOT(band)= -0.038079 trlgG= -0.047218 logG= -0.008640 TDE= -0.056496 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004888 tlogG= -0.020996 logG= -0.025884 Density= 0.108746 ETOT(band)= -0.114149 trlgG= -0.141579 logG= -0.025884 TDE= -0.169508 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005073 tlogG= -0.021700 logG= -0.026773 Density= 0.107978 ETOT(band)= -0.115189 trlgG= -0.143155 logG= -0.026773 TDE= -0.169815 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002632 tlogG= -0.012036 logG= -0.014667 Density= 0.053785 ETOT(band)= -0.058455 trlgG= -0.073627 logG= -0.014667 TDE= -0.085575 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002355 tlogG= -0.011885 logG= -0.014240 Density= 0.053587 ETOT(band)= -0.058319 trlgG= -0.073208 logG= -0.014240 TDE= -0.085485 logGD-logG0= -0.002363 tlogG= -0.011450 logG= -0.013813 Density= 0.053762 ETOT(band)= -0.057991 trlgG= -0.072446 logG= -0.013813 TDE= -0.085237 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009468 Density= 0.035335 ETOT(band)= -0.039016 trlgG= -0.048929 logG= -0.009468 TDE= -0.056946 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002450 tlogG= -0.012084 logG= -0.014534 logGD-logG0= -0.005100 tlogG= -0.022462 logG= -0.027562 Density= 0.053609 ETOT(band)= -0.058464 trlgG= -0.073571 logG= -0.014534 TDE= -0.085565 Density= 0.108245 ETOT(band)= -0.115587 trlgG= -0.144462 logG= -0.027562 TDE= -0.170465 logGD-logG0= -0.001504 tlogG= -0.007813 logG= -0.009317 Density= 0.035513 ETOT(band)= -0.038867 trlgG= -0.048567 logG= -0.009317 TDE= -0.056823 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002593 tlogG= -0.011985 logG= -0.014578 Density= 0.054155 ETOT(band)= -0.058223 trlgG= -0.073498 logG= -0.014578 TDE= -0.085718 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023951 logG= -0.029158 Density= 0.108263 ETOT(band)= -0.116470 trlgG= -0.146999 logG= -0.029158 TDE= -0.171415 logGD-logG0= -0.004401 tlogG= -0.023980 logG= -0.028381 Density= 0.106232 ETOT(band)= -0.116944 trlgG= -0.146551 logG= -0.028381 TDE= -0.170739 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004596 tlogG= -0.024054 logG= -0.028650 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106448 ETOT(band)= -0.116980 trlgG= -0.146678 logG= -0.028650 TDE= -0.170704 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002662 tlogG= -0.011988 logG= -0.014650 logGD-logG0= -0.005017 tlogG= -0.022176 logG= -0.027193 Density= 0.108400 ETOT(band)= -0.115283 trlgG= -0.143857 logG= -0.027193 TDE= -0.170306 logGD-logG0= -0.005219 tlogG= -0.023765 logG= -0.028984 logGD-logG0= -0.005169 tlogG= -0.022986 logG= -0.028155 Density= 0.108175 ETOT(band)= -0.115960 trlgG= -0.145408 logG= -0.028155 TDE= -0.170784 Density= 0.054002 ETOT(band)= -0.058342 trlgG= -0.073615 logG= -0.014650 TDE= -0.085689 logGD-logG0= -0.005212 tlogG= -0.023433 logG= -0.028645 Density= 0.108169 ETOT(band)= -0.116231 trlgG= -0.146183 logG= -0.028645 TDE= -0.171065 Density= 0.108214 ETOT(band)= -0.116394 trlgG= -0.146720 logG= -0.028984 TDE= -0.171285 logGD-logG0= -0.004924 tlogG= -0.022856 logG= -0.027780 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.024080 logG= -0.029416 Density= 0.107685 ETOT(band)= -0.116913 trlgG= -0.147401 logG= -0.029416 TDE= -0.171273 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107794 ETOT(band)= -0.115937 trlgG= -0.144822 logG= -0.027780 TDE= -0.170384 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005345 tlogG= -0.023690 logG= -0.029035 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107280 ETOT(band)= -0.116841 trlgG= -0.146727 logG= -0.029035 TDE= -0.170780 logGD-logG0= -0.005052 tlogG= -0.024099 logG= -0.029151 logGD-logG0= -0.005389 tlogG= -0.024132 logG= -0.029521 Density= 0.107851 ETOT(band)= -0.116911 trlgG= -0.147593 logG= -0.029521 TDE= -0.171442 Density= 0.107426 ETOT(band)= -0.116874 trlgG= -0.147029 logG= -0.029151 TDE= -0.171038 logGD-logG0= -0.005357 tlogG= -0.024086 logG= -0.029443 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107927 ETOT(band)= -0.116824 trlgG= -0.147470 logG= -0.029443 TDE= -0.171434 logGD-logG0= -0.005163 tlogG= -0.023219 logG= -0.028382 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108233 ETOT(band)= -0.116055 trlgG= -0.145765 logG= -0.028382 TDE= -0.170942 logGD-logG0= -0.005193 tlogG= -0.023873 logG= -0.029066 logGD-logG0= -0.005048 tlogG= -0.023656 logG= -0.028704 Density= 0.107031 ETOT(band)= -0.116766 trlgG= -0.146174 logG= -0.028704 TDE= -0.170435 Density= 0.108284 ETOT(band)= -0.116406 trlgG= -0.146851 logG= -0.029066 TDE= -0.171368 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.023690 logG= -0.028458 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023607 logG= -0.028802 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108240 ETOT(band)= -0.116279 trlgG= -0.146429 logG= -0.028802 TDE= -0.171189 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107029 ETOT(band)= -0.116676 trlgG= -0.146370 logG= -0.028458 TDE= -0.170875 logGD-logG0= -0.005368 tlogG= -0.023912 logG= -0.029281 logGD-logG0= -0.005288 tlogG= -0.023973 logG= -0.029262 Density= 0.107489 ETOT(band)= -0.116897 trlgG= -0.147125 logG= -0.029262 TDE= -0.171055 Density= 0.107793 ETOT(band)= -0.116781 trlgG= -0.147189 logG= -0.029281 TDE= -0.171249 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.022739 logG= -0.027834 Density= 0.108289 ETOT(band)= -0.115725 trlgG= -0.144899 logG= -0.027834 TDE= -0.170651 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023906 logG= -0.028858 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004940 tlogG= -0.024073 logG= -0.029013 Density= 0.107107 ETOT(band)= -0.116931 trlgG= -0.147048 logG= -0.029013 TDE= -0.171037 Density= 0.106811 ETOT(band)= -0.116946 trlgG= -0.146789 logG= -0.028858 TDE= -0.170786 logGD-logG0= -0.004731 tlogG= -0.023678 logG= -0.028409 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106656 ETOT(band)= -0.116788 trlgG= -0.146259 logG= -0.028409 TDE= -0.170629 logGD-logG0= -0.004889 tlogG= -0.023694 logG= -0.028583 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107427 ETOT(band)= -0.116563 trlgG= -0.146287 logG= -0.028583 TDE= -0.170863 logGD-logG0= -0.004787 tlogG= -0.023509 logG= -0.028296 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.022884 logG= -0.028052 Density= 0.107664 ETOT(band)= -0.116140 trlgG= -0.145228 logG= -0.028052 TDE= -0.170453 Density= 0.106830 ETOT(band)= -0.116644 trlgG= -0.145838 logG= -0.028296 TDE= -0.170407 logGD-logG0= -0.005332 tlogG= -0.024058 logG= -0.029390 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107985 ETOT(band)= -0.116758 trlgG= -0.147382 logG= -0.029390 TDE= -0.171429 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005343 tlogG= -0.023870 logG= -0.029213 Density= 0.107955 ETOT(band)= -0.116652 trlgG= -0.147086 logG= -0.029213 TDE= -0.171295 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023207 logG= -0.028565 Density= 0.107728 ETOT(band)= -0.116390 trlgG= -0.146038 logG= -0.028565 TDE= -0.170783 logGD-logG0= -0.004801 tlogG= -0.022856 logG= -0.027657 Density= 0.107349 ETOT(band)= -0.116076 trlgG= -0.144941 logG= -0.027657 TDE= -0.170406 logGD-logG0= -0.009902 tlogG= -0.048253 logG= -0.058156 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214499 ETOT(band)= -0.233825 trlgG= -0.294177 logG= -0.058156 TDE= -0.342166 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009213 tlogG= -0.047646 logG= -0.056859 Density= 0.213045 ETOT(band)= -0.233696 trlgG= -0.292659 logG= -0.056859 TDE= -0.341225 logGD-logG0= -0.009768 tlogG= -0.047166 logG= -0.056935 Density= 0.213876 ETOT(band)= -0.233409 trlgG= -0.292590 logG= -0.056935 TDE= -0.341492 logGD-logG0= -0.009593 tlogG= -0.045771 logG= -0.055363 Density= 0.215118 ETOT(band)= -0.231990 trlgG= -0.289791 logG= -0.055363 TDE= -0.340878 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023580 logG= -0.028959 logGD-logG0= -0.009871 tlogG= -0.045599 logG= -0.055469 Density= 0.214472 ETOT(band)= -0.232332 trlgG= -0.289959 logG= -0.055469 TDE= -0.340621 Density= 0.107842 ETOT(band)= -0.116554 trlgG= -0.146670 logG= -0.028959 TDE= -0.171076 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047178 logG= -0.057090 Density= 0.213888 ETOT(band)= -0.233453 trlgG= -0.292383 logG= -0.057090 TDE= -0.341134 logGD-logG0= -0.010047 tlogG= -0.047908 logG= -0.057956 Density= 0.214073 ETOT(band)= -0.233857 trlgG= -0.293857 logG= -0.057956 TDE= -0.341835 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009542 tlogG= -0.047456 logG= -0.056998 logGD-logG0= -0.010623 tlogG= -0.047761 logG= -0.058383 logGD-logG0= -0.010578 tlogG= -0.048097 logG= -0.058674 Density= 0.215160 ETOT(band)= -0.233812 trlgG= -0.294517 logG= -0.058674 TDE= -0.342315 Density= 0.214851 ETOT(band)= -0.233755 trlgG= -0.294002 logG= -0.058383 TDE= -0.341937 logGD-logG0= -0.009637 tlogG= -0.047953 logG= -0.057590 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.047997 logG= -0.058421 Density= 0.214414 ETOT(band)= -0.233247 trlgG= -0.292729 logG= -0.056998 TDE= -0.341833 Density= 0.213386 ETOT(band)= -0.233911 trlgG= -0.293297 logG= -0.057590 TDE= -0.341301 Density= 0.215163 ETOT(band)= -0.233667 trlgG= -0.294101 logG= -0.058421 TDE= -0.342153 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.048032 logG= -0.058689 Density= 0.215196 ETOT(band)= -0.233804 trlgG= -0.294544 logG= -0.058689 TDE= -0.342345 logGD-logG0= -0.010486 tlogG= -0.047801 logG= -0.058287 Density= 0.214751 ETOT(band)= -0.233747 trlgG= -0.293831 logG= -0.058287 TDE= -0.341814 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010277 tlogG= -0.047679 logG= -0.057956 logGD-logG0= -0.001710 tlogG= -0.007307 logG= -0.009017 Density= 0.214054 ETOT(band)= -0.233844 trlgG= -0.293610 logG= -0.057956 TDE= -0.341578 Density= 0.035861 ETOT(band)= -0.038523 trlgG= -0.047873 logG= -0.009017 TDE= -0.056602 logGD-logG0= -0.010735 tlogG= -0.047529 logG= -0.058264 logGD-logG0= -0.010499 tlogG= -0.047335 logG= -0.057834 Density= 0.214363 ETOT(band)= -0.233641 trlgG= -0.293086 logG= -0.057834 TDE= -0.341330 Density= 0.215782 ETOT(band)= -0.233269 trlgG= -0.293902 logG= -0.058264 TDE= -0.342418 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.048041 logG= -0.058211 Density= 0.214629 ETOT(band)= -0.233773 trlgG= -0.293930 logG= -0.058211 TDE= -0.341927 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010662 tlogG= -0.047941 logG= -0.058603 logGD-logG0= -0.002495 tlogG= -0.010844 logG= -0.013338 Density= 0.054085 ETOT(band)= -0.057515 trlgG= -0.071492 logG= -0.013338 TDE= -0.084917 logGD-logG0= -0.010283 tlogG= -0.046430 logG= -0.056713 Density= 0.215310 ETOT(band)= -0.232633 trlgG= -0.291411 logG= -0.056713 TDE= -0.341243 logGD-logG0= -0.010716 tlogG= -0.047889 logG= -0.058605 Density= 0.215975 ETOT(band)= -0.233388 trlgG= -0.294467 logG= -0.058603 TDE= -0.342739 Density= 0.215848 ETOT(band)= -0.233458 trlgG= -0.294466 logG= -0.058605 TDE= -0.342673 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009896 tlogG= -0.047235 logG= -0.057131 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010769 tlogG= -0.048166 logG= -0.058934 Density= 0.215508 ETOT(band)= -0.233833 trlgG= -0.294986 logG= -0.058934 TDE= -0.342696 Density= 0.214578 ETOT(band)= -0.233211 trlgG= -0.292506 logG= -0.057131 TDE= -0.341559 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010677 tlogG= -0.047444 logG= -0.058121 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215553 ETOT(band)= -0.233305 trlgG= -0.293657 logG= -0.058121 TDE= -0.342202 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010195 tlogG= -0.047169 logG= -0.057365 logGD-logG0= -0.010719 tlogG= -0.046901 logG= -0.057621 Density= 0.215243 ETOT(band)= -0.233034 trlgG= -0.292426 logG= -0.057365 TDE= -0.341575 Density= 0.215517 ETOT(band)= -0.233028 trlgG= -0.292857 logG= -0.057621 TDE= -0.341885 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009974 tlogG= -0.045663 logG= -0.055637 Density= 0.215249 ETOT(band)= -0.232068 trlgG= -0.289785 logG= -0.055637 TDE= -0.340664 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.021881 logG= -0.026934 Density= 0.108365 ETOT(band)= -0.115098 trlgG= -0.143409 logG= -0.026934 TDE= -0.170099 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004967 tlogG= -0.021571 logG= -0.026538 Density= 0.108553 ETOT(band)= -0.114734 trlgG= -0.142732 logG= -0.026538 TDE= -0.169911 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005131 tlogG= -0.021823 logG= -0.026954 Density= 0.107837 ETOT(band)= -0.115380 trlgG= -0.143462 logG= -0.026954 TDE= -0.169871 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010139 tlogG= -0.043403 logG= -0.053542 Density= 0.216366 ETOT(band)= -0.230173 trlgG= -0.286292 logG= -0.053542 TDE= -0.339819 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004347 tlogG= -0.024136 logG= -0.028484 Density= 0.212299 ETOT(band)= -0.234024 trlgG= -0.293449 logG= -0.028484 TDE= -0.170815 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004482 tlogG= -0.023745 logG= -0.028227 Density= 0.213208 ETOT(band)= -0.233248 trlgG= -0.291537 logG= -0.028227 TDE= -0.170618 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.022914 logG= -0.027932 Density= 0.214901 ETOT(band)= -0.232086 trlgG= -0.289479 logG= -0.027932 TDE= -0.170270 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006529 Density= 0.081585 ETOT(band)= -0.085582 trlgG= -0.106147 logG= -0.006529 TDE= -0.042422 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005005 tlogG= -0.022296 logG= -0.027301 Density= 0.214371 ETOT(band)= -0.232119 trlgG= -0.289225 logG= -0.027301 TDE= -0.170005 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005051 tlogG= -0.021357 logG= -0.026408 Density= 0.217099 ETOT(band)= -0.228893 trlgG= -0.284104 logG= -0.026408 TDE= -0.169736 logGD-logG0= -0.001714 tlogG= -0.007118 logG= -0.008832 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072258 ETOT(band)= -0.076383 trlgG= -0.094781 logG= -0.008832 TDE= -0.056570 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.021212 logG= -0.026222 Density= 0.216434 ETOT(band)= -0.229745 trlgG= -0.285351 logG= -0.026222 TDE= -0.169643 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 Density= 0.080873 ETOT(band)= -0.086854 trlgG= -0.108533 logG= -0.006873 TDE= -0.042630 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001293 tlogG= -0.005940 logG= -0.007233 Density= 0.080863 ETOT(band)= -0.087534 trlgG= -0.110286 logG= -0.007233 TDE= -0.042825 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.080672 ETOT(band)= -0.087280 trlgG= -0.109534 logG= -0.007022 TDE= -0.042706 logGD-logG0= -0.001288 tlogG= -0.005856 logG= -0.007145 Density= 0.080682 ETOT(band)= -0.087496 trlgG= -0.110089 logG= -0.007145 TDE= -0.042771 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005984 logG= -0.007276 Density= 0.081089 ETOT(band)= -0.087441 trlgG= -0.110343 logG= -0.007276 TDE= -0.042855 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023961 logG= -0.029093 Density= 0.214439 ETOT(band)= -0.233776 trlgG= -0.293692 logG= -0.029093 TDE= -0.170900 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023981 logG= -0.028604 Density= 0.212928 ETOT(band)= -0.233930 trlgG= -0.293263 logG= -0.028604 TDE= -0.170672 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.024001 logG= -0.029290 logGD-logG0= -0.005270 tlogG= -0.023417 logG= -0.028686 Density= 0.215767 ETOT(band)= -0.233557 trlgG= -0.294618 logG= -0.029290 TDE= -0.171412 Density= 0.216278 ETOT(band)= -0.232364 trlgG= -0.292010 logG= -0.028686 TDE= -0.171024 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.024011 logG= -0.028804 Density= 0.214223 ETOT(band)= -0.233763 trlgG= -0.293913 logG= -0.028804 TDE= -0.171067 logGD-logG0= -0.005321 tlogG= -0.023800 logG= -0.029121 Density= 0.215421 ETOT(band)= -0.233458 trlgG= -0.293968 logG= -0.029121 TDE= -0.171259 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.024000 logG= -0.029252 logGD-logG0= -0.005127 tlogG= -0.023853 logG= -0.028981 Density= 0.215580 ETOT(band)= -0.233456 trlgG= -0.294065 logG= -0.028981 TDE= -0.170945 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216427 ETOT(band)= -0.233049 trlgG= -0.294156 logG= -0.029252 TDE= -0.171430 logGD-logG0= -0.004707 tlogG= -0.023375 logG= -0.028081 Density= 0.214289 ETOT(band)= -0.233050 trlgG= -0.292120 logG= -0.028081 TDE= -0.170746 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001449 tlogG= -0.007967 logG= -0.009416 Density= 0.070909 ETOT(band)= -0.077835 trlgG= -0.097375 logG= -0.009416 TDE= -0.056908 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023494 logG= -0.028797 Density= 0.215306 ETOT(band)= -0.233020 trlgG= -0.292702 logG= -0.028797 TDE= -0.171003 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.023248 logG= -0.028085 Density= 0.213613 ETOT(band)= -0.233283 trlgG= -0.291996 logG= -0.028085 TDE= -0.170581 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.024010 logG= -0.028836 Density= 0.321714 ETOT(band)= -0.350629 trlgG= -0.441021 logG= -0.028836 TDE= -0.171063 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004538 tlogG= -0.023592 logG= -0.028130 Density= 0.212743 ETOT(band)= -0.233649 trlgG= -0.292507 logG= -0.028130 TDE= -0.170533 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.022446 logG= -0.027621 Density= 0.216456 ETOT(band)= -0.230991 trlgG= -0.288412 logG= -0.027621 TDE= -0.170406 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.045650 logG= -0.055932 Density= 0.324176 ETOT(band)= -0.347499 trlgG= -0.434672 logG= -0.055932 TDE= -0.341132 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.024121 logG= -0.029502 logGD-logG0= -0.005245 tlogG= -0.023957 logG= -0.029202 Density= 0.215799 ETOT(band)= -0.233712 trlgG= -0.295032 logG= -0.029502 TDE= -0.171442 Density= 0.216461 ETOT(band)= -0.232946 trlgG= -0.293925 logG= -0.029202 TDE= -0.171403 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005173 logG= -0.006375 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062571 ETOT(band)= -0.067451 trlgG= -0.084147 logG= -0.006375 TDE= -0.042320 logGD-logG0= -0.005097 tlogG= -0.024168 logG= -0.029265 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005240 tlogG= -0.022971 logG= -0.028211 logGD-logG0= -0.004961 tlogG= -0.023895 logG= -0.028856 Density= 0.213896 ETOT(band)= -0.233682 trlgG= -0.292776 logG= -0.028856 TDE= -0.170628 Density= 0.322577 ETOT(band)= -0.350756 trlgG= -0.441698 logG= -0.029265 TDE= -0.171070 logGD-logG0= -0.010801 tlogG= -0.048053 logG= -0.058854 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323373 ETOT(band)= -0.350531 trlgG= -0.442049 logG= -0.058854 TDE= -0.342686 Density= 0.216309 ETOT(band)= -0.231789 trlgG= -0.290395 logG= -0.028211 TDE= -0.170738 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001603 tlogG= -0.006876 logG= -0.008479 Density= 0.040861 ETOT(band)= -0.042622 trlgG= -0.052767 logG= -0.008479 TDE= -0.056411 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005264 tlogG= -0.023763 logG= -0.029027 Density= 0.216354 ETOT(band)= -0.232746 trlgG= -0.293218 logG= -0.029027 TDE= -0.171262 logGD-logG0= -0.010533 tlogG= -0.047788 logG= -0.058321 logGD-logG0= -0.005072 tlogG= -0.024162 logG= -0.029234 Density= 0.214835 ETOT(band)= -0.233854 trlgG= -0.294314 logG= -0.029234 TDE= -0.171074 Density= 0.324462 ETOT(band)= -0.349477 trlgG= -0.440729 logG= -0.058321 TDE= -0.342699 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009791 tlogG= -0.046617 logG= -0.056409 logGD-logG0= -0.004738 tlogG= -0.023372 logG= -0.028111 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322851 ETOT(band)= -0.348549 trlgG= -0.436099 logG= -0.056409 TDE= -0.341290 Density= 0.321789 ETOT(band)= -0.349581 trlgG= -0.438443 logG= -0.028111 TDE= -0.170739 logGD-logG0= -0.005429 tlogG= -0.023897 logG= -0.029326 Density= 0.215728 ETOT(band)= -0.233460 trlgG= -0.294347 logG= -0.029326 TDE= -0.171266 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004650 tlogG= -0.023898 logG= -0.028548 Density= 0.213398 ETOT(band)= -0.233527 trlgG= -0.292274 logG= -0.028548 TDE= -0.170624 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010577 tlogG= -0.047238 logG= -0.057815 Density= 0.324251 ETOT(band)= -0.349106 trlgG= -0.439378 logG= -0.057815 TDE= -0.342308 logGD-logG0= -0.005082 tlogG= -0.023253 logG= -0.028336 Density= 0.321853 ETOT(band)= -0.350090 trlgG= -0.439291 logG= -0.028336 TDE= -0.170690 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.023839 logG= -0.028727 Density= 0.213683 ETOT(band)= -0.233818 trlgG= -0.293515 logG= -0.028727 TDE= -0.170884 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010570 tlogG= -0.046420 logG= -0.056990 Density= 0.324122 ETOT(band)= -0.348445 trlgG= -0.437290 logG= -0.056990 TDE= -0.341753 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024093 logG= -0.029394 Density= 0.323190 ETOT(band)= -0.350735 trlgG= -0.442348 logG= -0.029394 TDE= -0.171255 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009051 tlogG= -0.048110 logG= -0.057161 Density= 0.425776 ETOT(band)= -0.467657 trlgG= -0.586008 logG= -0.057161 TDE= -0.341458 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005470 logG= -0.006709 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071534 ETOT(band)= -0.077241 trlgG= -0.096084 logG= -0.009180 TDE= -0.056683 Density= 0.081232 ETOT(band)= -0.086245 trlgG= -0.107301 logG= -0.006709 TDE= -0.042533 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005414 tlogG= -0.023956 logG= -0.029370 logGD-logG0= -0.010382 tlogG= -0.048236 logG= -0.058618 Density= 0.323781 ETOT(band)= -0.350211 trlgG= -0.441803 logG= -0.029370 TDE= -0.171314 Density= 0.430217 ETOT(band)= -0.467652 trlgG= -0.588947 logG= -0.058618 TDE= -0.342188 logGD-logG0= -0.005476 tlogG= -0.023683 logG= -0.029159 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215494 ETOT(band)= -0.233308 trlgG= -0.293645 logG= -0.029159 TDE= -0.171088 logGD-logG0= -0.005216 tlogG= -0.023207 logG= -0.028423 logGD-logG0= -0.005484 tlogG= -0.023367 logG= -0.028850 Density= 0.215200 ETOT(band)= -0.233046 trlgG= -0.292501 logG= -0.028850 TDE= -0.170795 logGD-logG0= -0.009545 tlogG= -0.046729 logG= -0.056274 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047969 logG= -0.058387 Density= 0.214968 ETOT(band)= -0.232642 trlgG= -0.291004 logG= -0.028423 TDE= -0.170451 Density= 0.429395 ETOT(band)= -0.467599 trlgG= -0.587819 logG= -0.058387 TDE= -0.341818 logGD-logG0= -0.009748 tlogG= -0.047847 logG= -0.057595 logGD-logG0= -0.010591 tlogG= -0.048088 logG= -0.058679 Density= 0.430323 ETOT(band)= -0.467484 trlgG= -0.588621 logG= -0.058679 TDE= -0.342314 Density= 0.428245 ETOT(band)= -0.467508 trlgG= -0.587409 logG= -0.057595 TDE= -0.341940 Density= 0.428117 ETOT(band)= -0.465478 trlgG= -0.581402 logG= -0.056274 TDE= -0.340891 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010251 tlogG= -0.048159 logG= -0.058410 Density= 0.429490 ETOT(band)= -0.467639 trlgG= -0.588186 logG= -0.058410 TDE= -0.341989 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046616 logG= -0.056228 Density= 0.428312 ETOT(band)= -0.466204 trlgG= -0.584014 logG= -0.056228 TDE= -0.341310 logGD-logG0= -0.010353 tlogG= -0.047684 logG= -0.058038 Density= 0.428496 ETOT(band)= -0.467496 trlgG= -0.586740 logG= -0.058038 TDE= -0.341580 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010883 tlogG= -0.047691 logG= -0.058574 Density= 0.431259 ETOT(band)= -0.466866 trlgG= -0.588287 logG= -0.058574 TDE= -0.342440 logGD-logG0= -0.010103 tlogG= -0.047569 logG= -0.057672 Density= 0.428812 ETOT(band)= -0.466843 trlgG= -0.585791 logG= -0.057672 TDE= -0.341627 logGD-logG0= -0.010808 tlogG= -0.048016 logG= -0.058824 Density= 0.431495 ETOT(band)= -0.467151 trlgG= -0.589282 logG= -0.058824 TDE= -0.342705 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009923 tlogG= -0.047865 logG= -0.057788 Density= 0.429330 ETOT(band)= -0.467299 trlgG= -0.587404 logG= -0.057788 TDE= -0.341931 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.021308 logG= -0.026276 Density= 0.162706 ETOT(band)= -0.172772 trlgG= -0.215781 logG= -0.026276 TDE= -0.169724 logGD-logG0= -0.009692 tlogG= -0.047792 logG= -0.057484 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427399 ETOT(band)= -0.467258 trlgG= -0.585382 logG= -0.057484 TDE= -0.341171 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010758 tlogG= -0.047749 logG= -0.058507 Density= 0.430923 ETOT(band)= -0.466917 trlgG= -0.587921 logG= -0.058507 TDE= -0.342333 logGD-logG0= -0.009738 tlogG= -0.047674 logG= -0.057411 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426898 ETOT(band)= -0.467701 trlgG= -0.586519 logG= -0.057411 TDE= -0.341467 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010420 tlogG= -0.046945 logG= -0.057365 Density= 0.430072 ETOT(band)= -0.465853 trlgG= -0.583786 logG= -0.057365 TDE= -0.341285 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010345 tlogG= -0.047585 logG= -0.057930 Density= 0.430195 ETOT(band)= -0.466502 trlgG= -0.585716 logG= -0.057930 TDE= -0.341729 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010818 tlogG= -0.047287 logG= -0.058104 Density= 0.430659 ETOT(band)= -0.466489 trlgG= -0.586447 logG= -0.058104 TDE= -0.341949 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.022333 logG= -0.027226 Density= 0.323020 ETOT(band)= -0.347519 trlgG= -0.433709 logG= -0.027226 TDE= -0.170088 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010079 tlogG= -0.044638 logG= -0.054717 Density= 0.324420 ETOT(band)= -0.346231 trlgG= -0.431668 logG= -0.054717 TDE= -0.340457 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010039 tlogG= -0.046411 logG= -0.056450 Density= 0.429735 ETOT(band)= -0.464930 trlgG= -0.581104 logG= -0.056450 TDE= -0.341008 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022480 logG= -0.027450 Density= 0.215126 ETOT(band)= -0.231352 trlgG= -0.287838 logG= -0.027450 TDE= -0.170018 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022332 logG= -0.027184 Density= 0.215130 ETOT(band)= -0.231641 trlgG= -0.288884 logG= -0.027184 TDE= -0.170093 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005139 tlogG= -0.021885 logG= -0.027025 Density= 0.216711 ETOT(band)= -0.229996 trlgG= -0.286302 logG= -0.027025 TDE= -0.170067 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009930 tlogG= -0.044636 logG= -0.054566 Density= 0.431795 ETOT(band)= -0.461480 trlgG= -0.574347 logG= -0.054566 TDE= -0.340094 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.386792251006 eV TrLogG= -407.043101860919 eV Ratio to renormalize= 0.999587446558 rho-rho_expected= 0.009079921675 nargs= 1 argi=dmft2.def 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964299714169175 0.939729651541009 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001504 tlogG= -0.007814 logG= -0.009317 Density= 0.035513 ETOT(band)= -0.038870 trlgG= -0.048570 logG= -0.009317 TDE= -0.056826 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004373 tlogG= -0.024058 logG= -0.028432 Density= 0.106182 ETOT(band)= -0.116994 trlgG= -0.146672 logG= -0.028432 TDE= -0.170785 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.022998 logG= -0.027762 Density= 0.106932 ETOT(band)= -0.116330 trlgG= -0.145096 logG= -0.027762 TDE= -0.170249 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022417 logG= -0.027488 Density= 0.107686 ETOT(band)= -0.115813 trlgG= -0.144342 logG= -0.027488 TDE= -0.170142 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001710 tlogG= -0.007307 logG= -0.009017 Density= 0.035862 ETOT(band)= -0.038525 trlgG= -0.047876 logG= -0.009017 TDE= -0.056605 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004966 tlogG= -0.021573 logG= -0.026539 Density= 0.108556 ETOT(band)= -0.114740 trlgG= -0.142740 logG= -0.026539 TDE= -0.169920 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004886 tlogG= -0.020998 logG= -0.025884 Density= 0.108749 ETOT(band)= -0.114155 trlgG= -0.141586 logG= -0.025884 TDE= -0.169517 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.021702 logG= -0.026773 Density= 0.107981 ETOT(band)= -0.115196 trlgG= -0.143163 logG= -0.026773 TDE= -0.169824 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002354 tlogG= -0.011887 logG= -0.014241 Density= 0.053588 ETOT(band)= -0.058323 trlgG= -0.073212 logG= -0.014241 TDE= -0.085490 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002362 tlogG= -0.011451 logG= -0.013814 Density= 0.053763 ETOT(band)= -0.057994 trlgG= -0.072450 logG= -0.013814 TDE= -0.085241 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 logGD-logG0= -0.002631 tlogG= -0.012037 logG= -0.014668 Density= 0.053786 ETOT(band)= -0.058458 trlgG= -0.073631 logG= -0.014668 TDE= -0.085580 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009469 Density= 0.035335 ETOT(band)= -0.039019 trlgG= -0.048932 logG= -0.009469 TDE= -0.056949 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.022178 logG= -0.027194 Density= 0.108403 ETOT(band)= -0.115289 trlgG= -0.143865 logG= -0.027194 TDE= -0.170314 logGD-logG0= -0.005211 tlogG= -0.023435 logG= -0.028646 Density= 0.108172 ETOT(band)= -0.116237 trlgG= -0.146191 logG= -0.028646 TDE= -0.171074 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002592 tlogG= -0.011986 logG= -0.014578 Density= 0.054156 ETOT(band)= -0.058226 trlgG= -0.073502 logG= -0.014578 TDE= -0.085722 logGD-logG0= -0.005047 tlogG= -0.023657 logG= -0.028705 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107033 ETOT(band)= -0.116773 trlgG= -0.146183 logG= -0.028705 TDE= -0.170444 logGD-logG0= -0.002449 tlogG= -0.012085 logG= -0.014535 logGD-logG0= -0.005161 tlogG= -0.023222 logG= -0.028383 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.024082 logG= -0.029417 Density= 0.107688 ETOT(band)= -0.116919 trlgG= -0.147410 logG= -0.029417 TDE= -0.171282 logGD-logG0= -0.005094 tlogG= -0.022741 logG= -0.027835 Density= 0.108291 ETOT(band)= -0.115731 trlgG= -0.144907 logG= -0.027835 TDE= -0.170660 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108236 ETOT(band)= -0.116061 trlgG= -0.145773 logG= -0.028383 TDE= -0.170951 Density= 0.053610 ETOT(band)= -0.058467 trlgG= -0.073575 logG= -0.014535 TDE= -0.085569 logGD-logG0= -0.004400 tlogG= -0.023982 logG= -0.028382 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106234 ETOT(band)= -0.116951 trlgG= -0.146560 logG= -0.028382 TDE= -0.170748 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.022465 logG= -0.027563 Density= 0.108248 ETOT(band)= -0.115593 trlgG= -0.144470 logG= -0.027563 TDE= -0.170474 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.022989 logG= -0.028156 logGD-logG0= -0.004888 tlogG= -0.023696 logG= -0.028584 logGD-logG0= -0.005205 tlogG= -0.023954 logG= -0.029159 Density= 0.108267 ETOT(band)= -0.116476 trlgG= -0.147007 logG= -0.029159 TDE= -0.171424 Density= 0.108178 ETOT(band)= -0.115966 trlgG= -0.145416 logG= -0.028156 TDE= -0.170792 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107429 ETOT(band)= -0.116570 trlgG= -0.146295 logG= -0.028584 TDE= -0.170872 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004595 tlogG= -0.024056 logG= -0.028651 Density= 0.106450 ETOT(band)= -0.116987 trlgG= -0.146687 logG= -0.028651 TDE= -0.170713 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023213 logG= -0.027890 Density= 0.106797 ETOT(band)= -0.116459 trlgG= -0.145359 logG= -0.027890 TDE= -0.170318 logGD-logG0= -0.005217 tlogG= -0.023768 logG= -0.028985 logGD-logG0= -0.005387 tlogG= -0.024135 logG= -0.029522 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108217 ETOT(band)= -0.116400 trlgG= -0.146728 logG= -0.028985 TDE= -0.171294 logGD-logG0= -0.005355 tlogG= -0.024089 logG= -0.029444 Density= 0.107930 ETOT(band)= -0.116830 trlgG= -0.147478 logG= -0.029444 TDE= -0.171443 Density= 0.107854 ETOT(band)= -0.116917 trlgG= -0.147601 logG= -0.029522 TDE= -0.171451 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023610 logG= -0.028803 logGD-logG0= -0.005368 tlogG= -0.023914 logG= -0.029282 logGD-logG0= -0.005051 tlogG= -0.024101 logG= -0.029152 Density= 0.107428 ETOT(band)= -0.116880 trlgG= -0.147037 logG= -0.029152 TDE= -0.171046 logGD-logG0= -0.004800 tlogG= -0.022858 logG= -0.027659 Density= 0.108243 ETOT(band)= -0.116285 trlgG= -0.146437 logG= -0.028803 TDE= -0.171198 Density= 0.107352 ETOT(band)= -0.116082 trlgG= -0.144950 logG= -0.027659 TDE= -0.170414 Density= 0.107796 ETOT(band)= -0.116787 trlgG= -0.147197 logG= -0.029282 TDE= -0.171258 logGD-logG0= -0.005287 tlogG= -0.023975 logG= -0.029263 Density= 0.107492 ETOT(band)= -0.116903 trlgG= -0.147134 logG= -0.029263 TDE= -0.171064 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023876 logG= -0.029067 logGD-logG0= -0.005344 tlogG= -0.023692 logG= -0.029036 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108287 ETOT(band)= -0.116412 trlgG= -0.146858 logG= -0.029067 TDE= -0.171377 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.022859 logG= -0.027781 Density= 0.107797 ETOT(band)= -0.115943 trlgG= -0.144830 logG= -0.027781 TDE= -0.170392 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107282 ETOT(band)= -0.116848 trlgG= -0.146736 logG= -0.029036 TDE= -0.170789 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002661 tlogG= -0.011989 logG= -0.014650 logGD-logG0= -0.005168 tlogG= -0.022886 logG= -0.028053 Density= 0.054003 ETOT(band)= -0.058345 trlgG= -0.073620 logG= -0.014650 TDE= -0.085693 Density= 0.107666 ETOT(band)= -0.116147 trlgG= -0.145237 logG= -0.028053 TDE= -0.170462 logGD-logG0= -0.004731 tlogG= -0.023679 logG= -0.028410 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106658 ETOT(band)= -0.116795 trlgG= -0.146268 logG= -0.028410 TDE= -0.170638 logGD-logG0= -0.004787 tlogG= -0.023510 logG= -0.028297 Density= 0.106832 ETOT(band)= -0.116651 trlgG= -0.145846 logG= -0.028297 TDE= -0.170416 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023907 logG= -0.028859 logGD-logG0= -0.004939 tlogG= -0.024075 logG= -0.029014 Density= 0.106814 ETOT(band)= -0.116952 trlgG= -0.146798 logG= -0.028859 TDE= -0.170795 Density= 0.107109 ETOT(band)= -0.116938 trlgG= -0.147057 logG= -0.029014 TDE= -0.171046 logGD-logG0= -0.004767 tlogG= -0.023692 logG= -0.028459 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107031 ETOT(band)= -0.116683 trlgG= -0.146379 logG= -0.028459 TDE= -0.170884 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023209 logG= -0.028566 Density= 0.107730 ETOT(band)= -0.116396 trlgG= -0.146047 logG= -0.028566 TDE= -0.170791 logGD-logG0= -0.005341 tlogG= -0.023873 logG= -0.029214 Density= 0.107958 ETOT(band)= -0.116658 trlgG= -0.147095 logG= -0.029214 TDE= -0.171304 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009900 tlogG= -0.048258 logG= -0.058158 logGD-logG0= -0.009590 tlogG= -0.045775 logG= -0.055365 Density= 0.215123 ETOT(band)= -0.232003 trlgG= -0.289808 logG= -0.055365 TDE= -0.340896 logGD-logG0= -0.005330 tlogG= -0.024061 logG= -0.029391 Density= 0.214505 ETOT(band)= -0.233837 trlgG= -0.294194 logG= -0.058158 TDE= -0.342184 Density= 0.107988 ETOT(band)= -0.116764 trlgG= -0.147391 logG= -0.029391 TDE= -0.171438 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023583 logG= -0.028960 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107844 ETOT(band)= -0.116560 trlgG= -0.146678 logG= -0.028960 TDE= -0.171085 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009212 tlogG= -0.047650 logG= -0.056862 Density= 0.213049 ETOT(band)= -0.233710 trlgG= -0.292677 logG= -0.056862 TDE= -0.341242 logGD-logG0= -0.010621 tlogG= -0.047765 logG= -0.058385 logGD-logG0= -0.009766 tlogG= -0.047171 logG= -0.056937 Density= 0.213881 ETOT(band)= -0.233422 trlgG= -0.292607 logG= -0.056937 TDE= -0.341509 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214856 ETOT(band)= -0.233767 trlgG= -0.294019 logG= -0.058385 TDE= -0.341955 logGD-logG0= -0.009868 tlogG= -0.045603 logG= -0.055472 logGD-logG0= -0.010045 tlogG= -0.047913 logG= -0.057958 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009911 tlogG= -0.047182 logG= -0.057093 Density= 0.214476 ETOT(band)= -0.232345 trlgG= -0.289976 logG= -0.055472 TDE= -0.340638 Density= 0.214078 ETOT(band)= -0.233870 trlgG= -0.293875 logG= -0.057958 TDE= -0.341853 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009636 tlogG= -0.047957 logG= -0.057592 Density= 0.213892 ETOT(band)= -0.233467 trlgG= -0.292400 logG= -0.057093 TDE= -0.341152 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.048001 logG= -0.058423 logGD-logG0= -0.009539 tlogG= -0.047461 logG= -0.057000 Density= 0.213390 ETOT(band)= -0.233924 trlgG= -0.293315 logG= -0.057592 TDE= -0.341319 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215169 ETOT(band)= -0.233679 trlgG= -0.294118 logG= -0.058423 TDE= -0.342171 Density= 0.214419 ETOT(band)= -0.233260 trlgG= -0.292746 logG= -0.057000 TDE= -0.341851 logGD-logG0= -0.002434 tlogG= -0.010431 logG= -0.012865 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054397 ETOT(band)= -0.057004 trlgG= -0.070654 logG= -0.012865 TDE= -0.084707 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010655 tlogG= -0.048036 logG= -0.058691 Density= 0.215202 ETOT(band)= -0.233816 trlgG= -0.294562 logG= -0.058691 TDE= -0.342363 logGD-logG0= -0.010168 tlogG= -0.048045 logG= -0.058213 Density= 0.214634 ETOT(band)= -0.233786 trlgG= -0.293946 logG= -0.058213 TDE= -0.341944 logGD-logG0= -0.010576 tlogG= -0.048101 logG= -0.058676 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215166 ETOT(band)= -0.233825 trlgG= -0.294534 logG= -0.058676 TDE= -0.342333 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047805 logG= -0.058289 Density= 0.214757 ETOT(band)= -0.233759 trlgG= -0.293848 logG= -0.058289 TDE= -0.341832 logGD-logG0= -0.001645 tlogG= -0.006994 logG= -0.008640 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036210 ETOT(band)= -0.038081 trlgG= -0.047220 logG= -0.008640 TDE= -0.056499 logGD-logG0= -0.009972 tlogG= -0.045667 logG= -0.055639 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215254 ETOT(band)= -0.232081 trlgG= -0.289802 logG= -0.055639 TDE= -0.340681 logGD-logG0= -0.002494 tlogG= -0.010845 logG= -0.013339 Density= 0.054086 ETOT(band)= -0.057518 trlgG= -0.071496 logG= -0.013339 TDE= -0.084921 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010499 tlogG= -0.047338 logG= -0.057836 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214368 ETOT(band)= -0.233654 trlgG= -0.293103 logG= -0.057836 TDE= -0.341348 logGD-logG0= -0.010658 tlogG= -0.047947 logG= -0.058605 Density= 0.215981 ETOT(band)= -0.233400 trlgG= -0.294483 logG= -0.058605 TDE= -0.342756 logGD-logG0= -0.010675 tlogG= -0.047448 logG= -0.058123 Density= 0.215559 ETOT(band)= -0.233318 trlgG= -0.293674 logG= -0.058123 TDE= -0.342220 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.046434 logG= -0.056715 Density= 0.215315 ETOT(band)= -0.232645 trlgG= -0.291428 logG= -0.056715 TDE= -0.341261 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010767 tlogG= -0.048169 logG= -0.058936 logGD-logG0= -0.010731 tlogG= -0.047534 logG= -0.058265 Density= 0.215788 ETOT(band)= -0.233281 trlgG= -0.293918 logG= -0.058265 TDE= -0.342435 Density= 0.215514 ETOT(band)= -0.233845 trlgG= -0.295003 logG= -0.058936 TDE= -0.342714 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010712 tlogG= -0.047895 logG= -0.058607 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215854 ETOT(band)= -0.233470 trlgG= -0.294482 logG= -0.058607 TDE= -0.342691 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047683 logG= -0.057959 Density= 0.214059 ETOT(band)= -0.233857 trlgG= -0.293627 logG= -0.057959 TDE= -0.341596 logGD-logG0= -0.009894 tlogG= -0.047240 logG= -0.057133 Density= 0.214583 ETOT(band)= -0.233224 trlgG= -0.292523 logG= -0.057133 TDE= -0.341576 logGD-logG0= -0.010718 tlogG= -0.046905 logG= -0.057623 Density= 0.215523 ETOT(band)= -0.233040 trlgG= -0.292874 logG= -0.057623 TDE= -0.341902 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047173 logG= -0.057367 Density= 0.215249 ETOT(band)= -0.233047 trlgG= -0.292443 logG= -0.057367 TDE= -0.341592 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.021883 logG= -0.026935 Density= 0.108367 ETOT(band)= -0.115104 trlgG= -0.143417 logG= -0.026935 TDE= -0.170108 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005130 tlogG= -0.021825 logG= -0.026955 Density= 0.107839 ETOT(band)= -0.115386 trlgG= -0.143470 logG= -0.026955 TDE= -0.169879 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010136 tlogG= -0.043407 logG= -0.053543 Density= 0.216371 ETOT(band)= -0.230186 trlgG= -0.286308 logG= -0.053543 TDE= -0.339835 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004347 tlogG= -0.024138 logG= -0.028485 Density= 0.212303 ETOT(band)= -0.234038 trlgG= -0.293468 logG= -0.028485 TDE= -0.170824 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001449 tlogG= -0.007968 logG= -0.009417 Density= 0.070910 ETOT(band)= -0.077840 trlgG= -0.097381 logG= -0.009417 TDE= -0.056911 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022916 logG= -0.027933 Density= 0.214906 ETOT(band)= -0.232098 trlgG= -0.289496 logG= -0.027933 TDE= -0.170279 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007591 logG= -0.009180 Density= 0.071535 ETOT(band)= -0.077246 trlgG= -0.096090 logG= -0.009180 TDE= -0.056686 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022299 logG= -0.027302 Density= 0.214376 ETOT(band)= -0.232132 trlgG= -0.289243 logG= -0.027302 TDE= -0.170014 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005138 tlogG= -0.021887 logG= -0.027025 Density= 0.216716 ETOT(band)= -0.230008 trlgG= -0.286318 logG= -0.027025 TDE= -0.170075 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.021359 logG= -0.026409 Density= 0.217105 ETOT(band)= -0.228905 trlgG= -0.284120 logG= -0.026409 TDE= -0.169744 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021214 logG= -0.026223 Density= 0.216439 ETOT(band)= -0.229757 trlgG= -0.285367 logG= -0.026223 TDE= -0.169651 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.080874 ETOT(band)= -0.086859 trlgG= -0.108540 logG= -0.006873 TDE= -0.042632 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080673 ETOT(band)= -0.087285 trlgG= -0.109540 logG= -0.007022 TDE= -0.042708 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001293 tlogG= -0.005940 logG= -0.007233 Density= 0.080865 ETOT(band)= -0.087539 trlgG= -0.110292 logG= -0.007233 TDE= -0.042827 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.024004 logG= -0.029291 Density= 0.215773 ETOT(band)= -0.233569 trlgG= -0.294635 logG= -0.029291 TDE= -0.171420 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005985 logG= -0.007276 Density= 0.081091 ETOT(band)= -0.087445 trlgG= -0.110349 logG= -0.007276 TDE= -0.042857 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023495 logG= -0.028798 Density= 0.215311 ETOT(band)= -0.233033 trlgG= -0.292719 logG= -0.028798 TDE= -0.171011 logGD-logG0= -0.005319 tlogG= -0.023802 logG= -0.029122 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215426 ETOT(band)= -0.233470 trlgG= -0.293984 logG= -0.029122 TDE= -0.171268 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005857 logG= -0.007145 Density= 0.080684 ETOT(band)= -0.087501 trlgG= -0.110096 logG= -0.007145 TDE= -0.042773 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.024013 logG= -0.028838 Density= 0.321722 ETOT(band)= -0.350649 trlgG= -0.441047 logG= -0.028838 TDE= -0.171072 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.022974 logG= -0.028212 Density= 0.216314 ETOT(band)= -0.231801 trlgG= -0.290411 logG= -0.028212 TDE= -0.170747 logGD-logG0= -0.005173 tlogG= -0.022449 logG= -0.027622 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216461 ETOT(band)= -0.231003 trlgG= -0.288428 logG= -0.027622 TDE= -0.170414 logGD-logG0= -0.004960 tlogG= -0.023897 logG= -0.028857 Density= 0.213901 ETOT(band)= -0.233696 trlgG= -0.292794 logG= -0.028857 TDE= -0.170637 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.024124 logG= -0.029503 Density= 0.215805 ETOT(band)= -0.233724 trlgG= -0.295049 logG= -0.029503 TDE= -0.171451 logGD-logG0= -0.005268 tlogG= -0.023419 logG= -0.028687 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216283 ETOT(band)= -0.232376 trlgG= -0.292026 logG= -0.028687 TDE= -0.171033 logGD-logG0= -0.005250 tlogG= -0.024003 logG= -0.029253 Density= 0.216434 ETOT(band)= -0.233061 trlgG= -0.294172 logG= -0.029253 TDE= -0.171439 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004737 tlogG= -0.023374 logG= -0.028112 Density= 0.321796 ETOT(band)= -0.349601 trlgG= -0.438469 logG= -0.028112 TDE= -0.170747 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023594 logG= -0.028131 Density= 0.212747 ETOT(band)= -0.233663 trlgG= -0.292525 logG= -0.028131 TDE= -0.170542 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023855 logG= -0.028982 Density= 0.215586 ETOT(band)= -0.233468 trlgG= -0.294082 logG= -0.028982 TDE= -0.170954 logGD-logG0= -0.005130 tlogG= -0.023964 logG= -0.029094 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005174 logG= -0.006375 Density= 0.062572 ETOT(band)= -0.067455 trlgG= -0.084152 logG= -0.006375 TDE= -0.042322 logGD-logG0= -0.004481 tlogG= -0.023747 logG= -0.028229 Density= 0.213212 ETOT(band)= -0.233262 trlgG= -0.291555 logG= -0.028229 TDE= -0.170627 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214445 ETOT(band)= -0.233789 trlgG= -0.293710 logG= -0.029094 TDE= -0.170909 logGD-logG0= -0.005096 tlogG= -0.024170 logG= -0.029267 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322585 ETOT(band)= -0.350774 trlgG= -0.441723 logG= -0.029267 TDE= -0.171079 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005262 tlogG= -0.023766 logG= -0.029028 logGD-logG0= -0.005071 tlogG= -0.024164 logG= -0.029235 Density= 0.214840 ETOT(band)= -0.233867 trlgG= -0.294331 logG= -0.029235 TDE= -0.171083 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216360 ETOT(band)= -0.232758 trlgG= -0.293234 logG= -0.029028 TDE= -0.171271 logGD-logG0= -0.004623 tlogG= -0.023983 logG= -0.028606 logGD-logG0= -0.005243 tlogG= -0.023960 logG= -0.029203 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212932 ETOT(band)= -0.233944 trlgG= -0.293281 logG= -0.028606 TDE= -0.170681 Density= 0.216467 ETOT(band)= -0.232958 trlgG= -0.293941 logG= -0.029203 TDE= -0.171412 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.047243 logG= -0.057816 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324260 ETOT(band)= -0.349123 trlgG= -0.439402 logG= -0.057816 TDE= -0.342326 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.048057 logG= -0.058856 logGD-logG0= -0.004649 tlogG= -0.023900 logG= -0.028549 Density= 0.323382 ETOT(band)= -0.350549 trlgG= -0.442074 logG= -0.058856 TDE= -0.342704 logGD-logG0= -0.010280 tlogG= -0.045653 logG= -0.055934 Density= 0.324184 ETOT(band)= -0.347518 trlgG= -0.434697 logG= -0.055934 TDE= -0.341149 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213402 ETOT(band)= -0.233540 trlgG= -0.292292 logG= -0.028549 TDE= -0.170633 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010529 tlogG= -0.047793 logG= -0.058322 logGD-logG0= -0.004836 tlogG= -0.023250 logG= -0.028086 Density= 0.213617 ETOT(band)= -0.233296 trlgG= -0.292014 logG= -0.028086 TDE= -0.170590 Density= 0.324472 ETOT(band)= -0.349494 trlgG= -0.440753 logG= -0.058322 TDE= -0.342717 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.046425 logG= -0.056992 Density= 0.324131 ETOT(band)= -0.348463 trlgG= -0.437314 logG= -0.056992 TDE= -0.341770 logGD-logG0= -0.005427 tlogG= -0.023900 logG= -0.029327 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215733 ETOT(band)= -0.233472 trlgG= -0.294363 logG= -0.029327 TDE= -0.171275 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.046622 logG= -0.056411 logGD-logG0= -0.004792 tlogG= -0.024013 logG= -0.028805 Density= 0.322858 ETOT(band)= -0.348568 trlgG= -0.436124 logG= -0.056411 TDE= -0.341307 logGD-logG0= -0.001602 tlogG= -0.006877 logG= -0.008479 Density= 0.040862 ETOT(band)= -0.042624 trlgG= -0.052770 logG= -0.008479 TDE= -0.056413 Density= 0.214228 ETOT(band)= -0.233776 trlgG= -0.293930 logG= -0.028805 TDE= -0.171076 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.023842 logG= -0.028729 Density= 0.213687 ETOT(band)= -0.233831 trlgG= -0.293533 logG= -0.028729 TDE= -0.170893 logGD-logG0= -0.005216 tlogG= -0.023208 logG= -0.028424 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023959 logG= -0.029371 Density= 0.214973 ETOT(band)= -0.232654 trlgG= -0.291021 logG= -0.028424 TDE= -0.170460 Density= 0.323790 ETOT(band)= -0.350229 trlgG= -0.441828 logG= -0.029371 TDE= -0.171323 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024095 logG= -0.029395 logGD-logG0= -0.005474 tlogG= -0.023686 logG= -0.029160 Density= 0.323199 ETOT(band)= -0.350754 trlgG= -0.442373 logG= -0.029395 TDE= -0.171264 Density= 0.215500 ETOT(band)= -0.233321 trlgG= -0.293662 logG= -0.029160 TDE= -0.171097 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009050 tlogG= -0.048114 logG= -0.057164 logGD-logG0= -0.010248 tlogG= -0.048164 logG= -0.058412 Density= 0.425784 ETOT(band)= -0.467685 trlgG= -0.586044 logG= -0.057164 TDE= -0.341475 Density= 0.429501 ETOT(band)= -0.467664 trlgG= -0.588221 logG= -0.058412 TDE= -0.342006 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023368 logG= -0.028851 logGD-logG0= -0.004705 tlogG= -0.023377 logG= -0.028083 Density= 0.214294 ETOT(band)= -0.233063 trlgG= -0.292137 logG= -0.028083 TDE= -0.170755 logGD-logG0= -0.009745 tlogG= -0.047852 logG= -0.057597 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428255 ETOT(band)= -0.467534 trlgG= -0.587444 logG= -0.057597 TDE= -0.341957 Density= 0.215205 ETOT(band)= -0.233058 trlgG= -0.292518 logG= -0.028851 TDE= -0.170804 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009544 tlogG= -0.046733 logG= -0.056277 Density= 0.428125 ETOT(band)= -0.465505 trlgG= -0.581437 logG= -0.056277 TDE= -0.340909 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047688 logG= -0.058040 Density= 0.428506 ETOT(band)= -0.467522 trlgG= -0.586775 logG= -0.058040 TDE= -0.341598 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023255 logG= -0.028337 logGD-logG0= -0.010589 tlogG= -0.048092 logG= -0.058681 Density= 0.430334 ETOT(band)= -0.467509 trlgG= -0.588656 logG= -0.058681 TDE= -0.342332 logGD-logG0= -0.010380 tlogG= -0.048240 logG= -0.058620 Density= 0.430228 ETOT(band)= -0.467677 trlgG= -0.588982 logG= -0.058620 TDE= -0.342206 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321860 ETOT(band)= -0.350109 trlgG= -0.439317 logG= -0.028337 TDE= -0.170699 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009609 tlogG= -0.046620 logG= -0.056230 Density= 0.428321 ETOT(band)= -0.466230 trlgG= -0.584049 logG= -0.056230 TDE= -0.341328 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.021310 logG= -0.026277 Density= 0.162710 ETOT(band)= -0.172780 trlgG= -0.215793 logG= -0.026277 TDE= -0.169732 logGD-logG0= -0.010756 tlogG= -0.047753 logG= -0.058509 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430934 ETOT(band)= -0.466941 trlgG= -0.587955 logG= -0.058509 TDE= -0.342350 logGD-logG0= -0.010416 tlogG= -0.047973 logG= -0.058389 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429406 ETOT(band)= -0.467624 trlgG= -0.587854 logG= -0.058389 TDE= -0.341836 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009692 tlogG= -0.047795 logG= -0.057487 logGD-logG0= -0.009921 tlogG= -0.047869 logG= -0.057790 Density= 0.427407 ETOT(band)= -0.467285 trlgG= -0.585417 logG= -0.057487 TDE= -0.341188 Density= 0.429340 ETOT(band)= -0.467325 trlgG= -0.587437 logG= -0.057790 TDE= -0.341948 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047677 logG= -0.057414 Density= 0.426907 ETOT(band)= -0.467729 trlgG= -0.586555 logG= -0.057414 TDE= -0.341485 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010037 tlogG= -0.046415 logG= -0.056452 logGD-logG0= -0.010879 tlogG= -0.047697 logG= -0.058576 Density= 0.429745 ETOT(band)= -0.464955 trlgG= -0.581138 logG= -0.056452 TDE= -0.341025 Density= 0.431270 ETOT(band)= -0.466890 trlgG= -0.588321 logG= -0.058576 TDE= -0.342458 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010804 tlogG= -0.048022 logG= -0.058826 logGD-logG0= -0.010418 tlogG= -0.046949 logG= -0.057368 Density= 0.431507 ETOT(band)= -0.467175 trlgG= -0.589315 logG= -0.058826 TDE= -0.342723 Density= 0.430082 ETOT(band)= -0.465878 trlgG= -0.583821 logG= -0.057368 TDE= -0.341303 logGD-logG0= -0.004891 tlogG= -0.022335 logG= -0.027227 Density= 0.323027 ETOT(band)= -0.347538 trlgG= -0.433734 logG= -0.027227 TDE= -0.170096 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.047573 logG= -0.057674 Density= 0.428822 ETOT(band)= -0.466869 trlgG= -0.585825 logG= -0.057674 TDE= -0.341644 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006530 Density= 0.081588 ETOT(band)= -0.085586 trlgG= -0.106152 logG= -0.006530 TDE= -0.042424 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010816 tlogG= -0.047290 logG= -0.058106 Density= 0.430670 ETOT(band)= -0.466514 trlgG= -0.586481 logG= -0.058106 TDE= -0.341967 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010343 tlogG= -0.047589 logG= -0.057932 Density= 0.430206 ETOT(band)= -0.466527 trlgG= -0.585750 logG= -0.057932 TDE= -0.341747 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010077 tlogG= -0.044642 logG= -0.054718 Density= 0.324428 ETOT(band)= -0.346249 trlgG= -0.431692 logG= -0.054718 TDE= -0.340474 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.022334 logG= -0.027185 Density= 0.215134 ETOT(band)= -0.231654 trlgG= -0.288901 logG= -0.027185 TDE= -0.170101 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001713 tlogG= -0.007119 logG= -0.008832 Density= 0.072259 ETOT(band)= -0.076387 trlgG= -0.094786 logG= -0.008832 TDE= -0.056573 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004969 tlogG= -0.022482 logG= -0.027451 Density= 0.215131 ETOT(band)= -0.231365 trlgG= -0.287855 logG= -0.027451 TDE= -0.170027 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001239 tlogG= -0.005470 logG= -0.006710 Density= 0.081234 ETOT(band)= -0.086250 trlgG= -0.107307 logG= -0.006710 TDE= -0.042535 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009928 tlogG= -0.044640 logG= -0.054568 Density= 0.431805 ETOT(band)= -0.461505 trlgG= -0.574380 logG= -0.054568 TDE= -0.340111 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.404420844526 eV TrLogG= -407.070339218446 eV Ratio to renormalize= 0.999563571947 rho-rho_expected= 0.009605609328 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964299453721816 0.939727799734107 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009468 Density= 0.035335 ETOT(band)= -0.039018 trlgG= -0.048931 logG= -0.009468 TDE= -0.056948 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023212 logG= -0.027889 Density= 0.106796 ETOT(band)= -0.116457 trlgG= -0.145356 logG= -0.027889 TDE= -0.170315 logGD-logG0= -0.001504 tlogG= -0.007813 logG= -0.009317 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035513 ETOT(band)= -0.038869 trlgG= -0.048569 logG= -0.009317 TDE= -0.056825 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002631 tlogG= -0.012036 logG= -0.014667 Density= 0.053786 ETOT(band)= -0.058457 trlgG= -0.073629 logG= -0.014667 TDE= -0.085578 logGD-logG0= -0.002449 tlogG= -0.012084 logG= -0.014534 logGD-logG0= -0.004764 tlogG= -0.022996 logG= -0.027761 Density= 0.106931 ETOT(band)= -0.116327 trlgG= -0.145092 logG= -0.027761 TDE= -0.170246 Density= 0.053610 ETOT(band)= -0.058466 trlgG= -0.073573 logG= -0.014534 TDE= -0.085568 logGD-logG0= -0.004786 tlogG= -0.023509 logG= -0.028295 Density= 0.106832 ETOT(band)= -0.116648 trlgG= -0.145843 logG= -0.028295 TDE= -0.170413 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004373 tlogG= -0.024057 logG= -0.028430 Density= 0.106182 ETOT(band)= -0.116992 trlgG= -0.146669 logG= -0.028430 TDE= -0.170782 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002362 tlogG= -0.011451 logG= -0.013813 Density= 0.053763 ETOT(band)= -0.057993 trlgG= -0.072448 logG= -0.013813 TDE= -0.085240 logGD-logG0= -0.004400 tlogG= -0.023980 logG= -0.028381 Density= 0.106233 ETOT(band)= -0.116949 trlgG= -0.146556 logG= -0.028381 TDE= -0.170745 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002354 tlogG= -0.011886 logG= -0.014240 Density= 0.053588 ETOT(band)= -0.058321 trlgG= -0.073210 logG= -0.014240 TDE= -0.085488 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022415 logG= -0.027486 Density= 0.107686 ETOT(band)= -0.115810 trlgG= -0.144337 logG= -0.027486 TDE= -0.170139 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002593 tlogG= -0.011985 logG= -0.014578 Density= 0.054156 ETOT(band)= -0.058225 trlgG= -0.073500 logG= -0.014578 TDE= -0.085721 logGD-logG0= -0.005099 tlogG= -0.022463 logG= -0.027562 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108247 ETOT(band)= -0.115591 trlgG= -0.144466 logG= -0.027562 TDE= -0.170471 logGD-logG0= -0.005336 tlogG= -0.024080 logG= -0.029416 Density= 0.107688 ETOT(band)= -0.116917 trlgG= -0.147406 logG= -0.029416 TDE= -0.171279 logGD-logG0= -0.005217 tlogG= -0.023766 logG= -0.028983 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001645 tlogG= -0.006994 logG= -0.008639 logGD-logG0= -0.005168 tlogG= -0.022987 logG= -0.028155 Density= 0.108178 ETOT(band)= -0.115964 trlgG= -0.145412 logG= -0.028155 TDE= -0.170789 Density= 0.036209 ETOT(band)= -0.038080 trlgG= -0.047219 logG= -0.008639 TDE= -0.056498 logGD-logG0= -0.005205 tlogG= -0.023952 logG= -0.029157 Density= 0.108216 ETOT(band)= -0.116398 trlgG= -0.146723 logG= -0.028983 TDE= -0.171291 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108266 ETOT(band)= -0.116473 trlgG= -0.147003 logG= -0.029157 TDE= -0.171421 logGD-logG0= -0.005016 tlogG= -0.022176 logG= -0.027192 Density= 0.108402 ETOT(band)= -0.115286 trlgG= -0.143861 logG= -0.027192 TDE= -0.170311 logGD-logG0= -0.002661 tlogG= -0.011988 logG= -0.014650 logGD-logG0= -0.004595 tlogG= -0.024054 logG= -0.028649 Density= 0.054003 ETOT(band)= -0.058343 trlgG= -0.073617 logG= -0.014650 TDE= -0.085691 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.022857 logG= -0.027780 Density= 0.106449 ETOT(band)= -0.116984 trlgG= -0.146683 logG= -0.028649 TDE= -0.170710 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107796 ETOT(band)= -0.115941 trlgG= -0.144826 logG= -0.027780 TDE= -0.170389 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.023433 logG= -0.028645 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108171 ETOT(band)= -0.116235 trlgG= -0.146187 logG= -0.028645 TDE= -0.171071 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005355 tlogG= -0.024087 logG= -0.029443 logGD-logG0= -0.005192 tlogG= -0.023874 logG= -0.029066 logGD-logG0= -0.005047 tlogG= -0.023656 logG= -0.028703 Density= 0.107033 ETOT(band)= -0.116770 trlgG= -0.146179 logG= -0.028703 TDE= -0.170441 Density= 0.108287 ETOT(band)= -0.116409 trlgG= -0.146854 logG= -0.029066 TDE= -0.171374 Density= 0.107929 ETOT(band)= -0.116828 trlgG= -0.147474 logG= -0.029443 TDE= -0.171440 logGD-logG0= -0.005287 tlogG= -0.023974 logG= -0.029261 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023608 logG= -0.028802 Density= 0.108242 ETOT(band)= -0.116282 trlgG= -0.146433 logG= -0.028802 TDE= -0.171195 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107491 ETOT(band)= -0.116900 trlgG= -0.147130 logG= -0.029261 TDE= -0.171061 logGD-logG0= -0.005161 tlogG= -0.023220 logG= -0.028381 logGD-logG0= -0.005051 tlogG= -0.024099 logG= -0.029151 Density= 0.108235 ETOT(band)= -0.116058 trlgG= -0.145769 logG= -0.028381 TDE= -0.170948 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.022739 logG= -0.027834 Density= 0.107428 ETOT(band)= -0.116878 trlgG= -0.147033 logG= -0.029151 TDE= -0.171043 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108291 ETOT(band)= -0.115728 trlgG= -0.144903 logG= -0.027834 TDE= -0.170657 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023691 logG= -0.029034 Density= 0.107282 ETOT(band)= -0.116845 trlgG= -0.146732 logG= -0.029034 TDE= -0.170786 logGD-logG0= -0.005368 tlogG= -0.023913 logG= -0.029280 logGD-logG0= -0.004731 tlogG= -0.023678 logG= -0.028409 Density= 0.107795 ETOT(band)= -0.116784 trlgG= -0.147193 logG= -0.029280 TDE= -0.171255 logGD-logG0= -0.004952 tlogG= -0.023906 logG= -0.028858 Density= 0.106813 ETOT(band)= -0.116950 trlgG= -0.146793 logG= -0.028858 TDE= -0.170792 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.023695 logG= -0.028583 Density= 0.106657 ETOT(band)= -0.116793 trlgG= -0.146264 logG= -0.028409 TDE= -0.170635 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107429 ETOT(band)= -0.116567 trlgG= -0.146291 logG= -0.028583 TDE= -0.170869 logGD-logG0= -0.005168 tlogG= -0.022884 logG= -0.028052 Density= 0.107666 ETOT(band)= -0.116144 trlgG= -0.145232 logG= -0.028052 TDE= -0.170459 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.023871 logG= -0.029212 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107957 ETOT(band)= -0.116655 trlgG= -0.147090 logG= -0.029212 TDE= -0.171301 logGD-logG0= -0.004767 tlogG= -0.023691 logG= -0.028457 logGD-logG0= -0.005388 tlogG= -0.024133 logG= -0.029521 logGD-logG0= -0.001710 tlogG= -0.007307 logG= -0.009017 Density= 0.035862 ETOT(band)= -0.038524 trlgG= -0.047875 logG= -0.009017 TDE= -0.056604 logGD-logG0= -0.004939 tlogG= -0.024074 logG= -0.029013 Density= 0.107109 ETOT(band)= -0.116935 trlgG= -0.147053 logG= -0.029013 TDE= -0.171043 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107854 ETOT(band)= -0.116914 trlgG= -0.147597 logG= -0.029521 TDE= -0.171448 Density= 0.107031 ETOT(band)= -0.116681 trlgG= -0.146375 logG= -0.028457 TDE= -0.170881 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023207 logG= -0.028564 Density= 0.107730 ETOT(band)= -0.116394 trlgG= -0.146043 logG= -0.028564 TDE= -0.170788 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.021572 logG= -0.026538 Density= 0.108555 ETOT(band)= -0.114737 trlgG= -0.142736 logG= -0.026538 TDE= -0.169917 logGD-logG0= -0.009900 tlogG= -0.048255 logG= -0.058155 logGD-logG0= -0.005378 tlogG= -0.023581 logG= -0.028959 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004800 tlogG= -0.022857 logG= -0.027657 Density= 0.107844 ETOT(band)= -0.116557 trlgG= -0.146674 logG= -0.028959 TDE= -0.171081 Density= 0.214504 ETOT(band)= -0.233832 trlgG= -0.294186 logG= -0.058155 TDE= -0.342178 logGD-logG0= -0.009212 tlogG= -0.047647 logG= -0.056859 Density= 0.107351 ETOT(band)= -0.116080 trlgG= -0.144946 logG= -0.027657 TDE= -0.170412 Density= 0.213048 ETOT(band)= -0.233705 trlgG= -0.292669 logG= -0.056859 TDE= -0.341237 logGD-logG0= -0.004886 tlogG= -0.020997 logG= -0.025883 Density= 0.108749 ETOT(band)= -0.114152 trlgG= -0.141582 logG= -0.025883 TDE= -0.169514 logGD-logG0= -0.009766 tlogG= -0.047168 logG= -0.056934 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213880 ETOT(band)= -0.233417 trlgG= -0.292599 logG= -0.056934 TDE= -0.341504 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010045 tlogG= -0.047910 logG= -0.057955 logGD-logG0= -0.009911 tlogG= -0.047179 logG= -0.057090 logGD-logG0= -0.009590 tlogG= -0.045772 logG= -0.055363 Density= 0.215122 ETOT(band)= -0.231998 trlgG= -0.289800 logG= -0.055363 TDE= -0.340890 logGD-logG0= -0.009869 tlogG= -0.045600 logG= -0.055469 Density= 0.214475 ETOT(band)= -0.232340 trlgG= -0.289968 logG= -0.055469 TDE= -0.340632 Density= 0.214077 ETOT(band)= -0.233865 trlgG= -0.293867 logG= -0.057955 TDE= -0.341847 logGD-logG0= -0.009636 tlogG= -0.047954 logG= -0.057590 Density= 0.213389 ETOT(band)= -0.233919 trlgG= -0.293307 logG= -0.057590 TDE= -0.341313 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.024059 logG= -0.029389 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107988 ETOT(band)= -0.116761 trlgG= -0.147386 logG= -0.029389 TDE= -0.171435 logGD-logG0= -0.010576 tlogG= -0.048098 logG= -0.058673 Density= 0.213891 ETOT(band)= -0.233462 trlgG= -0.292392 logG= -0.057090 TDE= -0.341146 logGD-logG0= -0.009540 tlogG= -0.047458 logG= -0.056997 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214418 ETOT(band)= -0.233255 trlgG= -0.292738 logG= -0.056997 TDE= -0.341845 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215164 ETOT(band)= -0.233820 trlgG= -0.294526 logG= -0.058673 TDE= -0.342326 logGD-logG0= -0.010422 tlogG= -0.047998 logG= -0.058420 Density= 0.215168 ETOT(band)= -0.233674 trlgG= -0.294109 logG= -0.058420 TDE= -0.342165 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010621 tlogG= -0.047762 logG= -0.058382 Density= 0.214855 ETOT(band)= -0.233762 trlgG= -0.294011 logG= -0.058382 TDE= -0.341949 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010655 tlogG= -0.048033 logG= -0.058689 logGD-logG0= -0.010484 tlogG= -0.047802 logG= -0.058286 Density= 0.214756 ETOT(band)= -0.233754 trlgG= -0.293840 logG= -0.058286 TDE= -0.341826 logGD-logG0= -0.010168 tlogG= -0.048042 logG= -0.058211 Density= 0.214633 ETOT(band)= -0.233781 trlgG= -0.293938 logG= -0.058211 TDE= -0.341939 Density= 0.215201 ETOT(band)= -0.233811 trlgG= -0.294553 logG= -0.058689 TDE= -0.342357 logGD-logG0= -0.010276 tlogG= -0.047680 logG= -0.057956 Density= 0.214058 ETOT(band)= -0.233852 trlgG= -0.293619 logG= -0.057956 TDE= -0.341590 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010498 tlogG= -0.047335 logG= -0.057833 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010732 tlogG= -0.047531 logG= -0.058263 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215787 ETOT(band)= -0.233276 trlgG= -0.293910 logG= -0.058263 TDE= -0.342429 logGD-logG0= -0.009972 tlogG= -0.045664 logG= -0.055636 Density= 0.214367 ETOT(band)= -0.233649 trlgG= -0.293095 logG= -0.057833 TDE= -0.341342 Density= 0.215252 ETOT(band)= -0.232076 trlgG= -0.289794 logG= -0.055636 TDE= -0.340675 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.046431 logG= -0.056713 Density= 0.215314 ETOT(band)= -0.232640 trlgG= -0.291419 logG= -0.056713 TDE= -0.341255 logGD-logG0= -0.010767 tlogG= -0.048166 logG= -0.058933 logGD-logG0= -0.010675 tlogG= -0.047445 logG= -0.058120 logGD-logG0= -0.010659 tlogG= -0.047943 logG= -0.058602 Density= 0.215558 ETOT(band)= -0.233313 trlgG= -0.293665 logG= -0.058120 TDE= -0.342214 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215513 ETOT(band)= -0.233840 trlgG= -0.294994 logG= -0.058933 TDE= -0.342707 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215980 ETOT(band)= -0.233395 trlgG= -0.294475 logG= -0.058602 TDE= -0.342750 logGD-logG0= -0.010713 tlogG= -0.047891 logG= -0.058604 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215853 ETOT(band)= -0.233465 trlgG= -0.294474 logG= -0.058604 TDE= -0.342685 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.021824 logG= -0.026954 Density= 0.107839 ETOT(band)= -0.115384 trlgG= -0.143466 logG= -0.026954 TDE= -0.169876 logGD-logG0= -0.010718 tlogG= -0.046902 logG= -0.057620 Density= 0.215522 ETOT(band)= -0.233035 trlgG= -0.292865 logG= -0.057620 TDE= -0.341896 logGD-logG0= -0.009894 tlogG= -0.047237 logG= -0.057131 Density= 0.214582 ETOT(band)= -0.233219 trlgG= -0.292515 logG= -0.057131 TDE= -0.341570 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002494 tlogG= -0.010844 logG= -0.013338 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054086 ETOT(band)= -0.057517 trlgG= -0.071494 logG= -0.013338 TDE= -0.084920 logGD-logG0= -0.010194 tlogG= -0.047170 logG= -0.057364 Density= 0.215247 ETOT(band)= -0.233042 trlgG= -0.292435 logG= -0.057364 TDE= -0.341586 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.021882 logG= -0.026933 Density= 0.108367 ETOT(band)= -0.115102 trlgG= -0.143413 logG= -0.026933 TDE= -0.170105 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.021701 logG= -0.026772 Density= 0.107980 ETOT(band)= -0.115193 trlgG= -0.143159 logG= -0.026772 TDE= -0.169821 logGD-logG0= -0.002435 tlogG= -0.010430 logG= -0.012864 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054397 ETOT(band)= -0.057003 trlgG= -0.070652 logG= -0.012864 TDE= -0.084706 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010137 tlogG= -0.043404 logG= -0.053541 Density= 0.216369 ETOT(band)= -0.230181 trlgG= -0.286300 logG= -0.053541 TDE= -0.339829 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004481 tlogG= -0.023746 logG= -0.028227 Density= 0.213211 ETOT(band)= -0.233257 trlgG= -0.291548 logG= -0.028227 TDE= -0.170624 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023899 logG= -0.028548 logGD-logG0= -0.001202 tlogG= -0.005173 logG= -0.006375 Density= 0.062572 ETOT(band)= -0.067454 trlgG= -0.084150 logG= -0.006375 TDE= -0.042322 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213401 ETOT(band)= -0.233535 trlgG= -0.292284 logG= -0.028548 TDE= -0.170630 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001449 tlogG= -0.007967 logG= -0.009416 Density= 0.070909 ETOT(band)= -0.077838 trlgG= -0.097379 logG= -0.009416 TDE= -0.056910 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.024137 logG= -0.028484 Density= 0.212302 ETOT(band)= -0.234033 trlgG= -0.293460 logG= -0.028484 TDE= -0.170821 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001293 tlogG= -0.005940 logG= -0.007233 Density= 0.080865 ETOT(band)= -0.087537 trlgG= -0.110289 logG= -0.007233 TDE= -0.042827 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023593 logG= -0.028130 Density= 0.212746 ETOT(band)= -0.233658 trlgG= -0.292517 logG= -0.028130 TDE= -0.170539 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001602 tlogG= -0.006877 logG= -0.008479 Density= 0.040861 ETOT(band)= -0.042623 trlgG= -0.052768 logG= -0.008479 TDE= -0.056412 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001292 tlogG= -0.005984 logG= -0.007276 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.081091 ETOT(band)= -0.087443 trlgG= -0.110346 logG= -0.007276 TDE= -0.042857 Density= 0.080673 ETOT(band)= -0.087283 trlgG= -0.109537 logG= -0.007022 TDE= -0.042708 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005856 logG= -0.007145 Density= 0.080684 ETOT(band)= -0.087499 trlgG= -0.110092 logG= -0.007145 TDE= -0.042773 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 Density= 0.080874 ETOT(band)= -0.086857 trlgG= -0.108537 logG= -0.006873 TDE= -0.042632 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022915 logG= -0.027931 Density= 0.214905 ETOT(band)= -0.232093 trlgG= -0.289487 logG= -0.027931 TDE= -0.170276 logGD-logG0= -0.005287 tlogG= -0.024002 logG= -0.029289 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215772 ETOT(band)= -0.233564 trlgG= -0.294626 logG= -0.029289 TDE= -0.171417 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001713 tlogG= -0.007119 logG= -0.008832 Density= 0.072259 ETOT(band)= -0.076385 trlgG= -0.094783 logG= -0.008832 TDE= -0.056572 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071535 ETOT(band)= -0.077244 trlgG= -0.096087 logG= -0.009180 TDE= -0.056686 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.023801 logG= -0.029120 Density= 0.215425 ETOT(band)= -0.233465 trlgG= -0.293976 logG= -0.029120 TDE= -0.171265 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022297 logG= -0.027301 Density= 0.214375 ETOT(band)= -0.232127 trlgG= -0.289235 logG= -0.027301 TDE= -0.170011 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005303 tlogG= -0.023494 logG= -0.028796 Density= 0.215310 ETOT(band)= -0.233028 trlgG= -0.292710 logG= -0.028796 TDE= -0.171008 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024001 logG= -0.029252 Density= 0.216432 ETOT(band)= -0.233056 trlgG= -0.294164 logG= -0.029252 TDE= -0.171435 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.024011 logG= -0.028836 Density= 0.321720 ETOT(band)= -0.350641 trlgG= -0.441034 logG= -0.028836 TDE= -0.171069 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.024122 logG= -0.029501 Density= 0.215804 ETOT(band)= -0.233719 trlgG= -0.295041 logG= -0.029501 TDE= -0.171448 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.024169 logG= -0.029265 Density= 0.322583 ETOT(band)= -0.350767 trlgG= -0.441711 logG= -0.029265 TDE= -0.171076 logGD-logG0= -0.004737 tlogG= -0.023373 logG= -0.028110 Density= 0.321795 ETOT(band)= -0.349593 trlgG= -0.438457 logG= -0.028110 TDE= -0.170744 logGD-logG0= -0.005127 tlogG= -0.023854 logG= -0.028980 Density= 0.215585 ETOT(band)= -0.233463 trlgG= -0.294073 logG= -0.028980 TDE= -0.170951 logGD-logG0= -0.005174 tlogG= -0.022447 logG= -0.027621 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216460 ETOT(band)= -0.230998 trlgG= -0.288420 logG= -0.027621 TDE= -0.170411 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004623 tlogG= -0.023981 logG= -0.028604 Density= 0.212931 ETOT(band)= -0.233939 trlgG= -0.293273 logG= -0.028604 TDE= -0.170678 logGD-logG0= -0.004969 tlogG= -0.022481 logG= -0.027449 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215130 ETOT(band)= -0.231360 trlgG= -0.287847 logG= -0.027449 TDE= -0.170024 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.023895 logG= -0.028856 Density= 0.213900 ETOT(band)= -0.233691 trlgG= -0.292786 logG= -0.028856 TDE= -0.170634 logGD-logG0= -0.005244 tlogG= -0.023958 logG= -0.029202 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216466 ETOT(band)= -0.232953 trlgG= -0.293932 logG= -0.029202 TDE= -0.171409 logGD-logG0= -0.010530 tlogG= -0.047790 logG= -0.058319 Density= 0.324470 ETOT(band)= -0.349487 trlgG= -0.440741 logG= -0.058319 TDE= -0.342711 logGD-logG0= -0.005130 tlogG= -0.023962 logG= -0.029092 logGD-logG0= -0.005071 tlogG= -0.024163 logG= -0.029234 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214443 ETOT(band)= -0.233784 trlgG= -0.293701 logG= -0.029092 TDE= -0.170906 Density= 0.214839 ETOT(band)= -0.233862 trlgG= -0.294323 logG= -0.029234 TDE= -0.171080 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024094 logG= -0.029393 logGD-logG0= -0.005268 tlogG= -0.023418 logG= -0.028686 Density= 0.216282 ETOT(band)= -0.232371 trlgG= -0.292017 logG= -0.028686 TDE= -0.171030 Density= 0.323197 ETOT(band)= -0.350746 trlgG= -0.442361 logG= -0.029393 TDE= -0.171261 logGD-logG0= -0.010799 tlogG= -0.048054 logG= -0.058853 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.023254 logG= -0.028335 Density= 0.321859 ETOT(band)= -0.350102 trlgG= -0.439305 logG= -0.028335 TDE= -0.170696 logGD-logG0= -0.005239 tlogG= -0.022972 logG= -0.028211 Density= 0.216313 ETOT(band)= -0.231796 trlgG= -0.290402 logG= -0.028211 TDE= -0.170744 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010280 tlogG= -0.045650 logG= -0.055931 Density= 0.323380 ETOT(band)= -0.350541 trlgG= -0.442061 logG= -0.058853 TDE= -0.342698 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023764 logG= -0.029027 Density= 0.216358 ETOT(band)= -0.232753 trlgG= -0.293226 logG= -0.029027 TDE= -0.171268 Density= 0.324183 ETOT(band)= -0.347510 trlgG= -0.434684 logG= -0.055931 TDE= -0.341143 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.046618 logG= -0.056408 logGD-logG0= -0.005427 tlogG= -0.023898 logG= -0.029325 Density= 0.215732 ETOT(band)= -0.233467 trlgG= -0.294355 logG= -0.029325 TDE= -0.171272 Density= 0.322857 ETOT(band)= -0.348561 trlgG= -0.436112 logG= -0.056408 TDE= -0.341301 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.023248 logG= -0.028084 Density= 0.213616 ETOT(band)= -0.233291 trlgG= -0.292006 logG= -0.028084 TDE= -0.170587 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.046422 logG= -0.056989 Density= 0.324129 ETOT(band)= -0.348456 trlgG= -0.437302 logG= -0.056989 TDE= -0.341764 logGD-logG0= -0.005138 tlogG= -0.021886 logG= -0.027024 Density= 0.216715 ETOT(band)= -0.230003 trlgG= -0.286310 logG= -0.027024 TDE= -0.170072 logGD-logG0= -0.010574 tlogG= -0.047239 logG= -0.057813 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.023840 logG= -0.028727 Density= 0.213686 ETOT(band)= -0.233826 trlgG= -0.293525 logG= -0.028727 TDE= -0.170890 logGD-logG0= -0.004792 tlogG= -0.024011 logG= -0.028804 Density= 0.214227 ETOT(band)= -0.233771 trlgG= -0.293922 logG= -0.028804 TDE= -0.171073 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324258 ETOT(band)= -0.349116 trlgG= -0.439389 logG= -0.057813 TDE= -0.342320 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023957 logG= -0.029370 Density= 0.323788 ETOT(band)= -0.350221 trlgG= -0.441815 logG= -0.029370 TDE= -0.171320 logGD-logG0= -0.005475 tlogG= -0.023684 logG= -0.029159 Density= 0.215499 ETOT(band)= -0.233316 trlgG= -0.293654 logG= -0.029159 TDE= -0.171094 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009050 tlogG= -0.048111 logG= -0.057161 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425782 ETOT(band)= -0.467675 trlgG= -0.586028 logG= -0.057161 TDE= -0.341470 logGD-logG0= -0.005216 tlogG= -0.023207 logG= -0.028423 Density= 0.214972 ETOT(band)= -0.232649 trlgG= -0.291012 logG= -0.028423 TDE= -0.170457 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.021357 logG= -0.026407 Density= 0.217104 ETOT(band)= -0.228900 trlgG= -0.284112 logG= -0.026407 TDE= -0.169742 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028081 Density= 0.214293 ETOT(band)= -0.233058 trlgG= -0.292129 logG= -0.028081 TDE= -0.170752 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009746 tlogG= -0.047849 logG= -0.057594 Density= 0.428252 ETOT(band)= -0.467524 trlgG= -0.587428 logG= -0.057594 TDE= -0.341951 logGD-logG0= -0.005483 tlogG= -0.023367 logG= -0.028850 Density= 0.215204 ETOT(band)= -0.233053 trlgG= -0.292510 logG= -0.028850 TDE= -0.170801 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009610 tlogG= -0.046617 logG= -0.056227 logGD-logG0= -0.009544 tlogG= -0.046730 logG= -0.056274 Density= 0.428123 ETOT(band)= -0.465495 trlgG= -0.581421 logG= -0.056274 TDE= -0.340903 logGD-logG0= -0.010352 tlogG= -0.047685 logG= -0.058037 Density= 0.428319 ETOT(band)= -0.466220 trlgG= -0.584033 logG= -0.056227 TDE= -0.341322 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428504 ETOT(band)= -0.467512 trlgG= -0.586759 logG= -0.058037 TDE= -0.341592 logGD-logG0= -0.010249 tlogG= -0.048160 logG= -0.058409 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429499 ETOT(band)= -0.467654 trlgG= -0.588204 logG= -0.058409 TDE= -0.342001 logGD-logG0= -0.010380 tlogG= -0.048237 logG= -0.058617 logGD-logG0= -0.010416 tlogG= -0.047970 logG= -0.058386 Density= 0.429404 ETOT(band)= -0.467614 trlgG= -0.587837 logG= -0.058386 TDE= -0.341830 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.048088 logG= -0.058678 Density= 0.430226 ETOT(band)= -0.467667 trlgG= -0.588965 logG= -0.058617 TDE= -0.342200 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430331 ETOT(band)= -0.467499 trlgG= -0.588639 logG= -0.058678 TDE= -0.342326 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.021308 logG= -0.026276 logGD-logG0= -0.009737 tlogG= -0.047674 logG= -0.057411 Density= 0.162709 ETOT(band)= -0.172777 trlgG= -0.215787 logG= -0.026276 TDE= -0.169729 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009921 tlogG= -0.047866 logG= -0.057787 Density= 0.429338 ETOT(band)= -0.467315 trlgG= -0.587421 logG= -0.057787 TDE= -0.341942 Density= 0.426905 ETOT(band)= -0.467719 trlgG= -0.586539 logG= -0.057411 TDE= -0.341479 logGD-logG0= -0.010757 tlogG= -0.047749 logG= -0.058506 Density= 0.430932 ETOT(band)= -0.466931 trlgG= -0.587938 logG= -0.058506 TDE= -0.342344 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010880 tlogG= -0.047693 logG= -0.058573 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431268 ETOT(band)= -0.466880 trlgG= -0.588304 logG= -0.058573 TDE= -0.342452 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009691 tlogG= -0.047792 logG= -0.057484 Density= 0.427405 ETOT(band)= -0.467275 trlgG= -0.585401 logG= -0.057484 TDE= -0.341183 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010037 tlogG= -0.046412 logG= -0.056449 Density= 0.429743 ETOT(band)= -0.464945 trlgG= -0.581122 logG= -0.056449 TDE= -0.341020 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.046946 logG= -0.057365 Density= 0.430080 ETOT(band)= -0.465868 trlgG= -0.583804 logG= -0.057365 TDE= -0.341297 logGD-logG0= -0.010805 tlogG= -0.048018 logG= -0.058823 Density= 0.431505 ETOT(band)= -0.467165 trlgG= -0.589298 logG= -0.058823 TDE= -0.342716 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.047570 logG= -0.057671 Density= 0.428819 ETOT(band)= -0.466859 trlgG= -0.585809 logG= -0.057671 TDE= -0.341638 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010816 tlogG= -0.047287 logG= -0.058103 Density= 0.430668 ETOT(band)= -0.466504 trlgG= -0.586464 logG= -0.058103 TDE= -0.341961 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010343 tlogG= -0.047586 logG= -0.057929 Density= 0.430203 ETOT(band)= -0.466517 trlgG= -0.585733 logG= -0.057929 TDE= -0.341741 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.022334 logG= -0.027225 Density= 0.323025 ETOT(band)= -0.347530 trlgG= -0.433722 logG= -0.027225 TDE= -0.170093 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010077 tlogG= -0.044639 logG= -0.054716 Density= 0.324426 ETOT(band)= -0.346242 trlgG= -0.431680 logG= -0.054716 TDE= -0.340468 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001239 tlogG= -0.005470 logG= -0.006709 Density= 0.081233 ETOT(band)= -0.086248 trlgG= -0.107303 logG= -0.006709 TDE= -0.042534 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004851 tlogG= -0.022333 logG= -0.027184 Density= 0.215133 ETOT(band)= -0.231649 trlgG= -0.288893 logG= -0.027184 TDE= -0.170099 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021212 logG= -0.026221 Density= 0.216438 ETOT(band)= -0.229752 trlgG= -0.285358 logG= -0.026221 TDE= -0.169648 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006529 Density= 0.081587 ETOT(band)= -0.085584 trlgG= -0.106149 logG= -0.006529 TDE= -0.042423 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009928 tlogG= -0.044637 logG= -0.054565 Density= 0.431802 ETOT(band)= -0.461495 trlgG= -0.574363 logG= -0.054565 TDE= -0.340105 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.397451928038 eV TrLogG= -407.058093570109 eV Ratio to renormalize= 0.999568595944 rho-rho_expected= 0.009494985397 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964288957277849 0.939715909406056 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002354 tlogG= -0.011885 logG= -0.014240 Density= 0.053588 ETOT(band)= -0.058321 trlgG= -0.073210 logG= -0.014240 TDE= -0.085488 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022176 logG= -0.027191 Density= 0.108402 ETOT(band)= -0.115285 trlgG= -0.143859 logG= -0.027191 TDE= -0.170310 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023690 logG= -0.029034 Density= 0.107282 ETOT(band)= -0.116844 trlgG= -0.146730 logG= -0.029034 TDE= -0.170785 logGD-logG0= -0.004731 tlogG= -0.023677 logG= -0.028408 logGD-logG0= -0.005161 tlogG= -0.023219 logG= -0.028380 Density= 0.108235 ETOT(band)= -0.116057 trlgG= -0.145767 logG= -0.028380 TDE= -0.170947 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.023690 logG= -0.028457 Density= 0.106657 ETOT(band)= -0.116792 trlgG= -0.146262 logG= -0.028408 TDE= -0.170634 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107030 ETOT(band)= -0.116680 trlgG= -0.146373 logG= -0.028457 TDE= -0.170880 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023206 logG= -0.028564 logGD-logG0= -0.004939 tlogG= -0.024073 logG= -0.029012 Density= 0.107730 ETOT(band)= -0.116393 trlgG= -0.146041 logG= -0.028564 TDE= -0.170787 Density= 0.107108 ETOT(band)= -0.116934 trlgG= -0.147051 logG= -0.029012 TDE= -0.171042 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002631 tlogG= -0.012035 logG= -0.014667 Density= 0.053786 ETOT(band)= -0.058457 trlgG= -0.073628 logG= -0.014667 TDE= -0.085577 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002362 tlogG= -0.011450 logG= -0.013813 Density= 0.053762 ETOT(band)= -0.057992 trlgG= -0.072447 logG= -0.013813 TDE= -0.085239 logGD-logG0= -0.002449 tlogG= -0.012084 logG= -0.014533 Density= 0.053610 ETOT(band)= -0.058465 trlgG= -0.073572 logG= -0.014533 TDE= -0.085567 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001504 tlogG= -0.007813 logG= -0.009317 Density= 0.035513 ETOT(band)= -0.038869 trlgG= -0.048568 logG= -0.009317 TDE= -0.056825 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009468 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035335 ETOT(band)= -0.039017 trlgG= -0.048930 logG= -0.009468 TDE= -0.056948 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002593 tlogG= -0.011985 logG= -0.014577 Density= 0.054156 ETOT(band)= -0.058224 trlgG= -0.073499 logG= -0.014577 TDE= -0.085720 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.023433 logG= -0.028644 Density= 0.108171 ETOT(band)= -0.116233 trlgG= -0.146185 logG= -0.028644 TDE= -0.171070 logGD-logG0= -0.004373 tlogG= -0.024056 logG= -0.028430 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106182 ETOT(band)= -0.116991 trlgG= -0.146667 logG= -0.028430 TDE= -0.170781 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.022986 logG= -0.028154 logGD-logG0= -0.005051 tlogG= -0.024099 logG= -0.029150 logGD-logG0= -0.005217 tlogG= -0.023765 logG= -0.028983 Density= 0.108216 ETOT(band)= -0.116397 trlgG= -0.146722 logG= -0.028983 TDE= -0.171290 logGD-logG0= -0.005336 tlogG= -0.024080 logG= -0.029415 Density= 0.107687 ETOT(band)= -0.116916 trlgG= -0.147404 logG= -0.029415 TDE= -0.171278 Density= 0.108177 ETOT(band)= -0.115963 trlgG= -0.145410 logG= -0.028154 TDE= -0.170788 logGD-logG0= -0.005205 tlogG= -0.023951 logG= -0.029156 Density= 0.108266 ETOT(band)= -0.116472 trlgG= -0.147001 logG= -0.029156 TDE= -0.171420 Density= 0.107428 ETOT(band)= -0.116877 trlgG= -0.147031 logG= -0.029150 TDE= -0.171042 logGD-logG0= -0.005099 tlogG= -0.022462 logG= -0.027561 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108247 ETOT(band)= -0.115590 trlgG= -0.144464 logG= -0.027561 TDE= -0.170470 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002661 tlogG= -0.011988 logG= -0.014649 Density= 0.054003 ETOT(band)= -0.058343 trlgG= -0.073617 logG= -0.014649 TDE= -0.085691 logGD-logG0= -0.004888 tlogG= -0.023694 logG= -0.028582 Density= 0.107428 ETOT(band)= -0.116566 trlgG= -0.146289 logG= -0.028582 TDE= -0.170868 logGD-logG0= -0.004595 tlogG= -0.024054 logG= -0.028649 Density= 0.106449 ETOT(band)= -0.116983 trlgG= -0.146682 logG= -0.028649 TDE= -0.170709 logGD-logG0= -0.005388 tlogG= -0.024132 logG= -0.029520 Density= 0.107853 ETOT(band)= -0.116913 trlgG= -0.147595 logG= -0.029520 TDE= -0.171446 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023607 logG= -0.028801 logGD-logG0= -0.004400 tlogG= -0.023980 logG= -0.028380 Density= 0.106233 ETOT(band)= -0.116948 trlgG= -0.146554 logG= -0.028380 TDE= -0.170744 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108242 ETOT(band)= -0.116281 trlgG= -0.146431 logG= -0.028801 TDE= -0.171194 logGD-logG0= -0.005047 tlogG= -0.023655 logG= -0.028703 logGD-logG0= -0.005355 tlogG= -0.024086 logG= -0.029442 logGD-logG0= -0.004923 tlogG= -0.022856 logG= -0.027779 logGD-logG0= -0.005368 tlogG= -0.023912 logG= -0.029280 Density= 0.107795 ETOT(band)= -0.116783 trlgG= -0.147191 logG= -0.029280 TDE= -0.171254 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107033 ETOT(band)= -0.116769 trlgG= -0.146177 logG= -0.028703 TDE= -0.170440 Density= 0.107929 ETOT(band)= -0.116827 trlgG= -0.147472 logG= -0.029442 TDE= -0.171439 Density= 0.107796 ETOT(band)= -0.115940 trlgG= -0.144824 logG= -0.027779 TDE= -0.170388 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.023973 logG= -0.029261 Density= 0.107491 ETOT(band)= -0.116899 trlgG= -0.147128 logG= -0.029261 TDE= -0.171059 logGD-logG0= -0.005071 tlogG= -0.022414 logG= -0.027486 Density= 0.107686 ETOT(band)= -0.115809 trlgG= -0.144336 logG= -0.027486 TDE= -0.170138 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023873 logG= -0.029065 Density= 0.108286 ETOT(band)= -0.116408 trlgG= -0.146852 logG= -0.029065 TDE= -0.171373 logGD-logG0= -0.004764 tlogG= -0.022996 logG= -0.027760 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106931 ETOT(band)= -0.116326 trlgG= -0.145090 logG= -0.027760 TDE= -0.170245 logGD-logG0= -0.005168 tlogG= -0.022883 logG= -0.028051 logGD-logG0= -0.004951 tlogG= -0.023905 logG= -0.028857 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107666 ETOT(band)= -0.116143 trlgG= -0.145231 logG= -0.028051 TDE= -0.170458 logGD-logG0= -0.005095 tlogG= -0.022738 logG= -0.027833 Density= 0.108291 ETOT(band)= -0.115727 trlgG= -0.144901 logG= -0.027833 TDE= -0.170656 Density= 0.106813 ETOT(band)= -0.116949 trlgG= -0.146792 logG= -0.028857 TDE= -0.170791 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004786 tlogG= -0.023508 logG= -0.028295 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106832 ETOT(band)= -0.116647 trlgG= -0.145841 logG= -0.028295 TDE= -0.170412 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.023870 logG= -0.029212 logGD-logG0= -0.005330 tlogG= -0.024058 logG= -0.029389 logGD-logG0= -0.009900 tlogG= -0.048253 logG= -0.058154 Density= 0.214503 ETOT(band)= -0.233830 trlgG= -0.294182 logG= -0.058154 TDE= -0.342175 Density= 0.107957 ETOT(band)= -0.116654 trlgG= -0.147089 logG= -0.029212 TDE= -0.171299 Density= 0.107988 ETOT(band)= -0.116760 trlgG= -0.147385 logG= -0.029389 TDE= -0.171434 logGD-logG0= -0.004800 tlogG= -0.022856 logG= -0.027656 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107351 ETOT(band)= -0.116079 trlgG= -0.144944 logG= -0.027656 TDE= -0.170410 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009590 tlogG= -0.045771 logG= -0.055361 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215121 ETOT(band)= -0.231996 trlgG= -0.289796 logG= -0.055361 TDE= -0.340888 logGD-logG0= -0.005378 tlogG= -0.023580 logG= -0.028958 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107844 ETOT(band)= -0.116556 trlgG= -0.146672 logG= -0.028958 TDE= -0.171080 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023211 logG= -0.027888 logGD-logG0= -0.009212 tlogG= -0.047646 logG= -0.056858 Density= 0.106796 ETOT(band)= -0.116456 trlgG= -0.145354 logG= -0.027888 TDE= -0.170314 logGD-logG0= -0.009636 tlogG= -0.047953 logG= -0.057588 logGD-logG0= -0.009766 tlogG= -0.047167 logG= -0.056933 Density= 0.213048 ETOT(band)= -0.233703 trlgG= -0.292666 logG= -0.056858 TDE= -0.341235 logGD-logG0= -0.009911 tlogG= -0.047178 logG= -0.057089 Density= 0.213891 ETOT(band)= -0.233460 trlgG= -0.292389 logG= -0.057089 TDE= -0.341144 Density= 0.213389 ETOT(band)= -0.233917 trlgG= -0.293304 logG= -0.057588 TDE= -0.341311 Density= 0.213879 ETOT(band)= -0.233415 trlgG= -0.292596 logG= -0.056933 TDE= -0.341501 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009540 tlogG= -0.047456 logG= -0.056996 Density= 0.214417 ETOT(band)= -0.233253 trlgG= -0.292734 logG= -0.056996 TDE= -0.341843 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010576 tlogG= -0.048096 logG= -0.058672 logGD-logG0= -0.010621 tlogG= -0.047760 logG= -0.058381 Density= 0.214855 ETOT(band)= -0.233760 trlgG= -0.294007 logG= -0.058381 TDE= -0.341947 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215164 ETOT(band)= -0.233818 trlgG= -0.294522 logG= -0.058672 TDE= -0.342324 logGD-logG0= -0.010422 tlogG= -0.047996 logG= -0.058419 logGD-logG0= -0.002435 tlogG= -0.010429 logG= -0.012864 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215167 ETOT(band)= -0.233672 trlgG= -0.294106 logG= -0.058419 TDE= -0.342163 Density= 0.054397 ETOT(band)= -0.057003 trlgG= -0.070651 logG= -0.012864 TDE= -0.084705 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010046 tlogG= -0.047908 logG= -0.057954 Density= 0.214076 ETOT(band)= -0.233863 trlgG= -0.293863 logG= -0.057954 TDE= -0.341845 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010655 tlogG= -0.048032 logG= -0.058687 logGD-logG0= -0.010484 tlogG= -0.047800 logG= -0.058285 Density= 0.214755 ETOT(band)= -0.233752 trlgG= -0.293836 logG= -0.058285 TDE= -0.341823 Density= 0.215200 ETOT(band)= -0.233809 trlgG= -0.294549 logG= -0.058687 TDE= -0.342354 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010659 tlogG= -0.047942 logG= -0.058601 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215979 ETOT(band)= -0.233393 trlgG= -0.294471 logG= -0.058601 TDE= -0.342748 logGD-logG0= -0.001645 tlogG= -0.006994 logG= -0.008639 Density= 0.036209 ETOT(band)= -0.038080 trlgG= -0.047218 logG= -0.008639 TDE= -0.056498 logGD-logG0= -0.009972 tlogG= -0.045662 logG= -0.055635 logGD-logG0= -0.010168 tlogG= -0.048041 logG= -0.058209 logGD-logG0= -0.010732 tlogG= -0.047529 logG= -0.058261 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047679 logG= -0.057954 Density= 0.214058 ETOT(band)= -0.233850 trlgG= -0.293616 logG= -0.057954 TDE= -0.341588 Density= 0.214632 ETOT(band)= -0.233779 trlgG= -0.293935 logG= -0.058209 TDE= -0.341936 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215786 ETOT(band)= -0.233274 trlgG= -0.293906 logG= -0.058261 TDE= -0.342427 Density= 0.215252 ETOT(band)= -0.232074 trlgG= -0.289790 logG= -0.055635 TDE= -0.340673 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001710 tlogG= -0.007307 logG= -0.009016 logGD-logG0= -0.010675 tlogG= -0.047443 logG= -0.058119 Density= 0.035861 ETOT(band)= -0.038524 trlgG= -0.047874 logG= -0.009016 TDE= -0.056604 Density= 0.215557 ETOT(band)= -0.233311 trlgG= -0.293662 logG= -0.058119 TDE= -0.342212 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010498 tlogG= -0.047334 logG= -0.057832 logGD-logG0= -0.009869 tlogG= -0.045599 logG= -0.055467 logGD-logG0= -0.010767 tlogG= -0.048165 logG= -0.058932 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.046429 logG= -0.056711 Density= 0.215314 ETOT(band)= -0.232638 trlgG= -0.291416 logG= -0.056711 TDE= -0.341252 Density= 0.215513 ETOT(band)= -0.233838 trlgG= -0.294990 logG= -0.058932 TDE= -0.342705 Density= 0.214475 ETOT(band)= -0.232338 trlgG= -0.289965 logG= -0.055467 TDE= -0.340630 Density= 0.214367 ETOT(band)= -0.233647 trlgG= -0.293092 logG= -0.057832 TDE= -0.341339 logGD-logG0= -0.010713 tlogG= -0.047890 logG= -0.058603 Density= 0.215853 ETOT(band)= -0.233463 trlgG= -0.294470 logG= -0.058603 TDE= -0.342682 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002494 tlogG= -0.010844 logG= -0.013338 Density= 0.054086 ETOT(band)= -0.057516 trlgG= -0.071493 logG= -0.013338 TDE= -0.084919 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009894 tlogG= -0.047235 logG= -0.057129 Density= 0.214582 ETOT(band)= -0.233217 trlgG= -0.292512 logG= -0.057129 TDE= -0.341568 logGD-logG0= -0.010718 tlogG= -0.046900 logG= -0.057619 Density= 0.215521 ETOT(band)= -0.233033 trlgG= -0.292862 logG= -0.057619 TDE= -0.341894 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010194 tlogG= -0.047169 logG= -0.057362 Density= 0.215247 ETOT(band)= -0.233039 trlgG= -0.292431 logG= -0.057362 TDE= -0.341584 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.021571 logG= -0.026537 Density= 0.108555 ETOT(band)= -0.114736 trlgG= -0.142734 logG= -0.026537 TDE= -0.169916 logGD-logG0= -0.004886 tlogG= -0.020996 logG= -0.025882 Density= 0.108748 ETOT(band)= -0.114151 trlgG= -0.141581 logG= -0.025882 TDE= -0.169512 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005052 tlogG= -0.021881 logG= -0.026933 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108366 ETOT(band)= -0.115100 trlgG= -0.143411 logG= -0.026933 TDE= -0.170103 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005130 tlogG= -0.021823 logG= -0.026953 Density= 0.107839 ETOT(band)= -0.115383 trlgG= -0.143464 logG= -0.026953 TDE= -0.169875 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010137 tlogG= -0.043403 logG= -0.053539 Density= 0.216369 ETOT(band)= -0.230178 trlgG= -0.286296 logG= -0.053539 TDE= -0.339827 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.021700 logG= -0.026771 Density= 0.107980 ETOT(band)= -0.115192 trlgG= -0.143157 logG= -0.026771 TDE= -0.169820 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.080673 ETOT(band)= -0.087283 trlgG= -0.109536 logG= -0.007022 TDE= -0.042707 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023961 logG= -0.029092 logGD-logG0= -0.005174 tlogG= -0.022446 logG= -0.027620 Density= 0.216460 ETOT(band)= -0.230996 trlgG= -0.288416 logG= -0.027620 TDE= -0.170410 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214443 ETOT(band)= -0.233782 trlgG= -0.293698 logG= -0.029092 TDE= -0.170905 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023417 logG= -0.028685 Density= 0.216282 ETOT(band)= -0.232369 trlgG= -0.292014 logG= -0.028685 TDE= -0.171029 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.023248 logG= -0.028084 Density= 0.213616 ETOT(band)= -0.233289 trlgG= -0.292003 logG= -0.028084 TDE= -0.170586 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023375 logG= -0.028080 Density= 0.214292 ETOT(band)= -0.233056 trlgG= -0.292126 logG= -0.028080 TDE= -0.170751 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023366 logG= -0.028849 Density= 0.215204 ETOT(band)= -0.233051 trlgG= -0.292506 logG= -0.028849 TDE= -0.170799 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.024011 logG= -0.028803 Density= 0.214226 ETOT(band)= -0.233769 trlgG= -0.293919 logG= -0.028803 TDE= -0.171072 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001449 tlogG= -0.007967 logG= -0.009416 Density= 0.070909 ETOT(band)= -0.077837 trlgG= -0.097377 logG= -0.009416 TDE= -0.056909 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005173 logG= -0.006375 logGD-logG0= -0.001602 tlogG= -0.006876 logG= -0.008478 Density= 0.040861 ETOT(band)= -0.042623 trlgG= -0.052768 logG= -0.008478 TDE= -0.056412 Density= 0.062572 ETOT(band)= -0.067453 trlgG= -0.084149 logG= -0.006375 TDE= -0.042321 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004649 tlogG= -0.023898 logG= -0.028547 Density= 0.213401 ETOT(band)= -0.233533 trlgG= -0.292281 logG= -0.028547 TDE= -0.170629 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023592 logG= -0.028129 Density= 0.212746 ETOT(band)= -0.233656 trlgG= -0.292514 logG= -0.028129 TDE= -0.170538 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022914 logG= -0.027931 Density= 0.214904 ETOT(band)= -0.232091 trlgG= -0.289484 logG= -0.027931 TDE= -0.170275 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001293 tlogG= -0.005940 logG= -0.007233 Density= 0.080864 ETOT(band)= -0.087536 trlgG= -0.110287 logG= -0.007233 TDE= -0.042826 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005856 logG= -0.007144 Density= 0.080684 ETOT(band)= -0.087498 trlgG= -0.110091 logG= -0.007144 TDE= -0.042772 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 Density= 0.080874 ETOT(band)= -0.086856 trlgG= -0.108535 logG= -0.006873 TDE= -0.042631 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.024137 logG= -0.028483 Density= 0.212301 ETOT(band)= -0.234031 trlgG= -0.293457 logG= -0.028483 TDE= -0.170820 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005984 logG= -0.007276 Density= 0.081090 ETOT(band)= -0.087442 trlgG= -0.110345 logG= -0.007276 TDE= -0.042856 logGD-logG0= -0.005287 tlogG= -0.024001 logG= -0.029288 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215772 ETOT(band)= -0.233562 trlgG= -0.294623 logG= -0.029288 TDE= -0.171416 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.023800 logG= -0.029120 Density= 0.215425 ETOT(band)= -0.233463 trlgG= -0.293972 logG= -0.029120 TDE= -0.171264 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023493 logG= -0.028796 Density= 0.215310 ETOT(band)= -0.233026 trlgG= -0.292707 logG= -0.028796 TDE= -0.171007 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.024010 logG= -0.028835 Density= 0.321720 ETOT(band)= -0.350638 trlgG= -0.441029 logG= -0.028835 TDE= -0.171068 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024000 logG= -0.029251 Density= 0.216432 ETOT(band)= -0.233054 trlgG= -0.294160 logG= -0.029251 TDE= -0.171434 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.022480 logG= -0.027449 Density= 0.215129 ETOT(band)= -0.231358 trlgG= -0.287843 logG= -0.027449 TDE= -0.170023 logGD-logG0= -0.005263 tlogG= -0.023763 logG= -0.029026 logGD-logG0= -0.005127 tlogG= -0.023853 logG= -0.028979 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216358 ETOT(band)= -0.232751 trlgG= -0.293222 logG= -0.029026 TDE= -0.171267 Density= 0.215585 ETOT(band)= -0.233461 trlgG= -0.294070 logG= -0.028979 TDE= -0.170950 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023957 logG= -0.029201 Density= 0.216466 ETOT(band)= -0.232951 trlgG= -0.293928 logG= -0.029201 TDE= -0.171408 logGD-logG0= -0.004737 tlogG= -0.023372 logG= -0.028110 Density= 0.321794 ETOT(band)= -0.349590 trlgG= -0.438452 logG= -0.028110 TDE= -0.170743 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 logGD-logG0= -0.005379 tlogG= -0.024121 logG= -0.029500 Density= 0.215804 ETOT(band)= -0.233717 trlgG= -0.295037 logG= -0.029500 TDE= -0.171447 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071535 ETOT(band)= -0.077243 trlgG= -0.096086 logG= -0.009180 TDE= -0.056685 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.024162 logG= -0.029233 Density= 0.214839 ETOT(band)= -0.233859 trlgG= -0.294319 logG= -0.029233 TDE= -0.171079 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.024168 logG= -0.029264 logGD-logG0= -0.010530 tlogG= -0.047788 logG= -0.058318 Density= 0.324469 ETOT(band)= -0.349484 trlgG= -0.440735 logG= -0.058318 TDE= -0.342708 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322583 ETOT(band)= -0.350764 trlgG= -0.441705 logG= -0.029264 TDE= -0.171075 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.048052 logG= -0.058851 Density= 0.323380 ETOT(band)= -0.350538 trlgG= -0.442056 logG= -0.058851 TDE= -0.342695 logGD-logG0= -0.010574 tlogG= -0.047238 logG= -0.057812 logGD-logG0= -0.004960 tlogG= -0.023895 logG= -0.028855 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324257 ETOT(band)= -0.349113 trlgG= -0.439384 logG= -0.057812 TDE= -0.342317 Density= 0.213899 ETOT(band)= -0.233688 trlgG= -0.292782 logG= -0.028855 TDE= -0.170633 logGD-logG0= -0.005427 tlogG= -0.023897 logG= -0.029325 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215732 ETOT(band)= -0.233464 trlgG= -0.294351 logG= -0.029325 TDE= -0.171270 logGD-logG0= -0.010280 tlogG= -0.045649 logG= -0.055929 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324182 ETOT(band)= -0.347507 trlgG= -0.434679 logG= -0.055929 TDE= -0.341140 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004623 tlogG= -0.023981 logG= -0.028604 Density= 0.212931 ETOT(band)= -0.233937 trlgG= -0.293270 logG= -0.028604 TDE= -0.170677 logGD-logG0= -0.005300 tlogG= -0.024093 logG= -0.029392 logGD-logG0= -0.005475 tlogG= -0.023683 logG= -0.029158 Density= 0.215498 ETOT(band)= -0.233313 trlgG= -0.293650 logG= -0.029158 TDE= -0.171093 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323196 ETOT(band)= -0.350743 trlgG= -0.442355 logG= -0.029392 TDE= -0.171259 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.022971 logG= -0.028210 Density= 0.216313 ETOT(band)= -0.231794 trlgG= -0.290399 logG= -0.028210 TDE= -0.170743 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.046420 logG= -0.056988 Density= 0.324129 ETOT(band)= -0.348453 trlgG= -0.437296 logG= -0.056988 TDE= -0.341762 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023957 logG= -0.029369 Density= 0.323788 ETOT(band)= -0.350218 trlgG= -0.441810 logG= -0.029369 TDE= -0.171319 logGD-logG0= -0.005082 tlogG= -0.023253 logG= -0.028335 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321858 ETOT(band)= -0.350099 trlgG= -0.439300 logG= -0.028335 TDE= -0.170695 logGD-logG0= -0.009789 tlogG= -0.046617 logG= -0.056406 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.023839 logG= -0.028726 Density= 0.322856 ETOT(band)= -0.348558 trlgG= -0.436107 logG= -0.056406 TDE= -0.341299 Density= 0.213686 ETOT(band)= -0.233824 trlgG= -0.293521 logG= -0.028726 TDE= -0.170889 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006529 Density= 0.081587 ETOT(band)= -0.085584 trlgG= -0.106148 logG= -0.006529 TDE= -0.042423 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009737 tlogG= -0.047673 logG= -0.057410 Density= 0.426904 ETOT(band)= -0.467715 trlgG= -0.586532 logG= -0.057410 TDE= -0.341477 logGD-logG0= -0.009050 tlogG= -0.048110 logG= -0.057160 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425782 ETOT(band)= -0.467671 trlgG= -0.586022 logG= -0.057160 TDE= -0.341468 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009691 tlogG= -0.047791 logG= -0.057482 Density= 0.427405 ETOT(band)= -0.467271 trlgG= -0.585394 logG= -0.057482 TDE= -0.341180 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.021308 logG= -0.026275 Density= 0.162709 ETOT(band)= -0.172775 trlgG= -0.215784 logG= -0.026275 TDE= -0.169728 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005216 tlogG= -0.023206 logG= -0.028422 Density= 0.214971 ETOT(band)= -0.232647 trlgG= -0.291009 logG= -0.028422 TDE= -0.170456 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004481 tlogG= -0.023745 logG= -0.028227 Density= 0.213210 ETOT(band)= -0.233255 trlgG= -0.291544 logG= -0.028227 TDE= -0.170623 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010249 tlogG= -0.048159 logG= -0.058408 Density= 0.429498 ETOT(band)= -0.467650 trlgG= -0.588197 logG= -0.058408 TDE= -0.341998 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.047968 logG= -0.058385 logGD-logG0= -0.009746 tlogG= -0.047847 logG= -0.057593 logGD-logG0= -0.010589 tlogG= -0.048087 logG= -0.058676 Density= 0.429403 ETOT(band)= -0.467610 trlgG= -0.587830 logG= -0.058385 TDE= -0.341827 Density= 0.428252 ETOT(band)= -0.467520 trlgG= -0.587421 logG= -0.057593 TDE= -0.341949 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.021356 logG= -0.026407 Density= 0.217103 ETOT(band)= -0.228898 trlgG= -0.284108 logG= -0.026407 TDE= -0.169740 Density= 0.430331 ETOT(band)= -0.467495 trlgG= -0.588632 logG= -0.058676 TDE= -0.342323 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010380 tlogG= -0.048235 logG= -0.058616 logGD-logG0= -0.010037 tlogG= -0.046411 logG= -0.056448 Density= 0.429742 ETOT(band)= -0.464941 trlgG= -0.581115 logG= -0.056448 TDE= -0.341017 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430225 ETOT(band)= -0.467663 trlgG= -0.588958 logG= -0.058616 TDE= -0.342197 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009610 tlogG= -0.046616 logG= -0.056226 logGD-logG0= -0.010880 tlogG= -0.047692 logG= -0.058572 Density= 0.431267 ETOT(band)= -0.466876 trlgG= -0.588296 logG= -0.058572 TDE= -0.342449 Density= 0.428319 ETOT(band)= -0.466216 trlgG= -0.584026 logG= -0.056226 TDE= -0.341320 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010757 tlogG= -0.047748 logG= -0.058505 logGD-logG0= -0.010352 tlogG= -0.047684 logG= -0.058036 Density= 0.430931 ETOT(band)= -0.466927 trlgG= -0.587930 logG= -0.058505 TDE= -0.342342 Density= 0.428503 ETOT(band)= -0.467508 trlgG= -0.586752 logG= -0.058036 TDE= -0.341590 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.047865 logG= -0.057786 logGD-logG0= -0.009544 tlogG= -0.046729 logG= -0.056273 Density= 0.429337 ETOT(band)= -0.467311 trlgG= -0.587414 logG= -0.057786 TDE= -0.341940 logGD-logG0= -0.001713 tlogG= -0.007118 logG= -0.008832 Density= 0.072259 ETOT(band)= -0.076385 trlgG= -0.094782 logG= -0.008832 TDE= -0.056571 Density= 0.428122 ETOT(band)= -0.465490 trlgG= -0.581414 logG= -0.056273 TDE= -0.340901 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022296 logG= -0.027300 Density= 0.214374 ETOT(band)= -0.232125 trlgG= -0.289231 logG= -0.027300 TDE= -0.170010 logGD-logG0= -0.010805 tlogG= -0.048017 logG= -0.058822 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431504 ETOT(band)= -0.467161 trlgG= -0.589291 logG= -0.058822 TDE= -0.342714 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.046945 logG= -0.057363 Density= 0.430079 ETOT(band)= -0.465864 trlgG= -0.583797 logG= -0.057363 TDE= -0.341294 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.047569 logG= -0.057670 Density= 0.428819 ETOT(band)= -0.466855 trlgG= -0.585802 logG= -0.057670 TDE= -0.341636 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010077 tlogG= -0.044637 logG= -0.054714 Density= 0.324425 ETOT(band)= -0.346239 trlgG= -0.431674 logG= -0.054714 TDE= -0.340466 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.022333 logG= -0.027225 Density= 0.323025 ETOT(band)= -0.347527 trlgG= -0.433717 logG= -0.027225 TDE= -0.170092 logGD-logG0= -0.010343 tlogG= -0.047585 logG= -0.057928 Density= 0.430203 ETOT(band)= -0.466513 trlgG= -0.585726 logG= -0.057928 TDE= -0.341738 logGD-logG0= -0.010816 tlogG= -0.047286 logG= -0.058102 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430667 ETOT(band)= -0.466500 trlgG= -0.586457 logG= -0.058102 TDE= -0.341958 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001239 tlogG= -0.005470 logG= -0.006709 Density= 0.081233 ETOT(band)= -0.086247 trlgG= -0.107302 logG= -0.006709 TDE= -0.042534 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005138 tlogG= -0.021885 logG= -0.027023 Density= 0.216714 ETOT(band)= -0.230001 trlgG= -0.286306 logG= -0.027023 TDE= -0.170071 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004851 tlogG= -0.022332 logG= -0.027183 Density= 0.215133 ETOT(band)= -0.231647 trlgG= -0.288889 logG= -0.027183 TDE= -0.170097 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009928 tlogG= -0.044636 logG= -0.054564 Density= 0.431802 ETOT(band)= -0.461491 trlgG= -0.574356 logG= -0.054564 TDE= -0.340103 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021212 logG= -0.026221 Density= 0.216437 ETOT(band)= -0.229750 trlgG= -0.285355 logG= -0.026221 TDE= -0.169647 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.394566934430 eV TrLogG= -407.052918762052 eV Ratio to renormalize= 0.999570385472 rho-rho_expected= 0.009455581866 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964323367434452 0.939750105608871 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002362 tlogG= -0.011450 logG= -0.013812 Density= 0.053762 ETOT(band)= -0.057991 trlgG= -0.072446 logG= -0.013812 TDE= -0.085238 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022175 logG= -0.027191 Density= 0.108401 ETOT(band)= -0.115283 trlgG= -0.143856 logG= -0.027191 TDE= -0.170308 logGD-logG0= -0.004595 tlogG= -0.024053 logG= -0.028648 Density= 0.106449 ETOT(band)= -0.116981 trlgG= -0.146679 logG= -0.028648 TDE= -0.170707 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023689 logG= -0.029033 logGD-logG0= -0.001504 tlogG= -0.007813 logG= -0.009317 Density= 0.035513 ETOT(band)= -0.038868 trlgG= -0.048567 logG= -0.009317 TDE= -0.056824 logGD-logG0= -0.005095 tlogG= -0.022737 logG= -0.027833 logGD-logG0= -0.005162 tlogG= -0.023218 logG= -0.028380 Density= 0.108234 ETOT(band)= -0.116055 trlgG= -0.145764 logG= -0.028380 TDE= -0.170944 Density= 0.107281 ETOT(band)= -0.116842 trlgG= -0.146727 logG= -0.029033 TDE= -0.170782 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009468 Density= 0.035335 ETOT(band)= -0.039017 trlgG= -0.048929 logG= -0.009468 TDE= -0.056947 Density= 0.108290 ETOT(band)= -0.115725 trlgG= -0.144898 logG= -0.027833 TDE= -0.170653 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.022883 logG= -0.028051 Density= 0.107665 ETOT(band)= -0.116141 trlgG= -0.145228 logG= -0.028051 TDE= -0.170455 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023206 logG= -0.028563 Density= 0.107729 ETOT(band)= -0.116391 trlgG= -0.146038 logG= -0.028563 TDE= -0.170785 logGD-logG0= -0.004373 tlogG= -0.024056 logG= -0.028429 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106181 ETOT(band)= -0.116989 trlgG= -0.146664 logG= -0.028429 TDE= -0.170779 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023211 logG= -0.027888 Density= 0.106796 ETOT(band)= -0.116454 trlgG= -0.145351 logG= -0.027888 TDE= -0.170311 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022414 logG= -0.027485 Density= 0.107685 ETOT(band)= -0.115807 trlgG= -0.144333 logG= -0.027485 TDE= -0.170136 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004786 tlogG= -0.023508 logG= -0.028294 Density= 0.106831 ETOT(band)= -0.116645 trlgG= -0.145838 logG= -0.028294 TDE= -0.170409 logGD-logG0= -0.004400 tlogG= -0.023979 logG= -0.028379 Density= 0.106233 ETOT(band)= -0.116946 trlgG= -0.146551 logG= -0.028379 TDE= -0.170741 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002631 tlogG= -0.012035 logG= -0.014667 Density= 0.053785 ETOT(band)= -0.058456 trlgG= -0.073627 logG= -0.014667 TDE= -0.085576 logGD-logG0= -0.002450 tlogG= -0.012084 logG= -0.014533 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053609 ETOT(band)= -0.058464 trlgG= -0.073571 logG= -0.014533 TDE= -0.085566 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002355 tlogG= -0.011885 logG= -0.014240 Density= 0.053588 ETOT(band)= -0.058320 trlgG= -0.073208 logG= -0.014240 TDE= -0.085486 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001710 tlogG= -0.007306 logG= -0.009016 Density= 0.035861 ETOT(band)= -0.038523 trlgG= -0.047873 logG= -0.009016 TDE= -0.056603 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002593 tlogG= -0.011984 logG= -0.014577 Density= 0.054155 ETOT(band)= -0.058223 trlgG= -0.073497 logG= -0.014577 TDE= -0.085719 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023764 logG= -0.028982 Density= 0.108215 ETOT(band)= -0.116395 trlgG= -0.146719 logG= -0.028982 TDE= -0.171287 logGD-logG0= -0.005212 tlogG= -0.023432 logG= -0.028643 logGD-logG0= -0.005168 tlogG= -0.022985 logG= -0.028153 Density= 0.108177 ETOT(band)= -0.115961 trlgG= -0.145408 logG= -0.028153 TDE= -0.170786 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108170 ETOT(band)= -0.116232 trlgG= -0.146182 logG= -0.028643 TDE= -0.171067 logGD-logG0= -0.005205 tlogG= -0.023950 logG= -0.029156 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108265 ETOT(band)= -0.116470 trlgG= -0.146998 logG= -0.029156 TDE= -0.171417 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002662 tlogG= -0.011987 logG= -0.014649 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054003 ETOT(band)= -0.058342 trlgG= -0.073615 logG= -0.014649 TDE= -0.085689 logGD-logG0= -0.005099 tlogG= -0.022461 logG= -0.027560 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108246 ETOT(band)= -0.115588 trlgG= -0.144462 logG= -0.027560 TDE= -0.170467 logGD-logG0= -0.005336 tlogG= -0.024079 logG= -0.029415 Density= 0.107687 ETOT(band)= -0.116914 trlgG= -0.147401 logG= -0.029415 TDE= -0.171275 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005356 tlogG= -0.024085 logG= -0.029441 Density= 0.107929 ETOT(band)= -0.116825 trlgG= -0.147469 logG= -0.029441 TDE= -0.171436 logGD-logG0= -0.005047 tlogG= -0.023655 logG= -0.028702 Density= 0.107032 ETOT(band)= -0.116767 trlgG= -0.146174 logG= -0.028702 TDE= -0.170437 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.023693 logG= -0.028582 logGD-logG0= -0.004923 tlogG= -0.022855 logG= -0.027778 Density= 0.107795 ETOT(band)= -0.115938 trlgG= -0.144821 logG= -0.027778 TDE= -0.170386 Density= 0.107428 ETOT(band)= -0.116564 trlgG= -0.146286 logG= -0.028582 TDE= -0.170865 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023606 logG= -0.028800 Density= 0.108241 ETOT(band)= -0.116279 trlgG= -0.146428 logG= -0.028800 TDE= -0.171191 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.022995 logG= -0.027759 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106930 ETOT(band)= -0.116324 trlgG= -0.145087 logG= -0.027759 TDE= -0.170242 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.023972 logG= -0.029260 logGD-logG0= -0.005368 tlogG= -0.023911 logG= -0.029279 Density= 0.107794 ETOT(band)= -0.116781 trlgG= -0.147188 logG= -0.029279 TDE= -0.171251 Density= 0.107491 ETOT(band)= -0.116897 trlgG= -0.147125 logG= -0.029260 TDE= -0.171057 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023872 logG= -0.029065 Density= 0.108286 ETOT(band)= -0.116406 trlgG= -0.146850 logG= -0.029065 TDE= -0.171370 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.024098 logG= -0.029149 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107427 ETOT(band)= -0.116875 trlgG= -0.147029 logG= -0.029149 TDE= -0.171040 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023677 logG= -0.028407 Density= 0.106657 ETOT(band)= -0.116790 trlgG= -0.146259 logG= -0.028407 TDE= -0.170631 logGD-logG0= -0.004939 tlogG= -0.024072 logG= -0.029011 Density= 0.107108 ETOT(band)= -0.116932 trlgG= -0.147048 logG= -0.029011 TDE= -0.171039 logGD-logG0= -0.004767 tlogG= -0.023689 logG= -0.028456 Density= 0.107030 ETOT(band)= -0.116677 trlgG= -0.146370 logG= -0.028456 TDE= -0.170878 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005388 tlogG= -0.024131 logG= -0.029520 logGD-logG0= -0.004951 tlogG= -0.023905 logG= -0.028856 Density= 0.106812 ETOT(band)= -0.116947 trlgG= -0.146789 logG= -0.028856 TDE= -0.170789 Density= 0.107853 ETOT(band)= -0.116911 trlgG= -0.147592 logG= -0.029520 TDE= -0.171444 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004801 tlogG= -0.022855 logG= -0.027656 Density= 0.107350 ETOT(band)= -0.116077 trlgG= -0.144941 logG= -0.027656 TDE= -0.170408 logGD-logG0= -0.005342 tlogG= -0.023869 logG= -0.029211 Density= 0.107956 ETOT(band)= -0.116652 trlgG= -0.147086 logG= -0.029211 TDE= -0.171297 logGD-logG0= -0.005331 tlogG= -0.024057 logG= -0.029388 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107987 ETOT(band)= -0.116758 trlgG= -0.147382 logG= -0.029388 TDE= -0.171431 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.048252 logG= -0.058152 Density= 0.214502 ETOT(band)= -0.233826 trlgG= -0.294176 logG= -0.058152 TDE= -0.342170 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023579 logG= -0.028957 logGD-logG0= -0.009591 tlogG= -0.045769 logG= -0.055360 Density= 0.107843 ETOT(band)= -0.116554 trlgG= -0.146669 logG= -0.028957 TDE= -0.171078 Density= 0.215120 ETOT(band)= -0.231992 trlgG= -0.289791 logG= -0.055360 TDE= -0.340883 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009869 tlogG= -0.045597 logG= -0.055466 Density= 0.214473 ETOT(band)= -0.232334 trlgG= -0.289959 logG= -0.055466 TDE= -0.340625 logGD-logG0= -0.009767 tlogG= -0.047165 logG= -0.056931 logGD-logG0= -0.009540 tlogG= -0.047455 logG= -0.056995 logGD-logG0= -0.009212 tlogG= -0.047645 logG= -0.056856 Density= 0.213878 ETOT(band)= -0.233411 trlgG= -0.292590 logG= -0.056931 TDE= -0.341496 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010046 tlogG= -0.047907 logG= -0.057953 Density= 0.214075 ETOT(band)= -0.233859 trlgG= -0.293857 logG= -0.057953 TDE= -0.341840 Density= 0.213047 ETOT(band)= -0.233699 trlgG= -0.292660 logG= -0.056856 TDE= -0.341230 Density= 0.214416 ETOT(band)= -0.233249 trlgG= -0.292729 logG= -0.056995 TDE= -0.341837 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.047995 logG= -0.058417 Density= 0.215166 ETOT(band)= -0.233668 trlgG= -0.294100 logG= -0.058417 TDE= -0.342157 logGD-logG0= -0.010576 tlogG= -0.048094 logG= -0.058671 Density= 0.215163 ETOT(band)= -0.233814 trlgG= -0.294516 logG= -0.058671 TDE= -0.342319 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.047799 logG= -0.058283 logGD-logG0= -0.010621 tlogG= -0.047758 logG= -0.058380 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214754 ETOT(band)= -0.233748 trlgG= -0.293830 logG= -0.058283 TDE= -0.341818 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214853 ETOT(band)= -0.233756 trlgG= -0.294001 logG= -0.058380 TDE= -0.341941 logGD-logG0= -0.009636 tlogG= -0.047951 logG= -0.057587 Density= 0.213388 ETOT(band)= -0.233913 trlgG= -0.293297 logG= -0.057587 TDE= -0.341306 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.048039 logG= -0.058208 Density= 0.214631 ETOT(band)= -0.233775 trlgG= -0.293929 logG= -0.058208 TDE= -0.341931 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001646 tlogG= -0.006993 logG= -0.008639 Density= 0.036209 ETOT(band)= -0.038079 trlgG= -0.047218 logG= -0.008639 TDE= -0.056497 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.048030 logG= -0.058686 Density= 0.215199 ETOT(band)= -0.233805 trlgG= -0.294543 logG= -0.058686 TDE= -0.342349 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010660 tlogG= -0.047940 logG= -0.058600 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215978 ETOT(band)= -0.233389 trlgG= -0.294466 logG= -0.058600 TDE= -0.342743 logGD-logG0= -0.010276 tlogG= -0.047677 logG= -0.057953 Density= 0.214056 ETOT(band)= -0.233846 trlgG= -0.293610 logG= -0.057953 TDE= -0.341583 logGD-logG0= -0.009973 tlogG= -0.045661 logG= -0.055634 logGD-logG0= -0.010733 tlogG= -0.047527 logG= -0.058260 logGD-logG0= -0.010498 tlogG= -0.047332 logG= -0.057831 Density= 0.214366 ETOT(band)= -0.233643 trlgG= -0.293086 logG= -0.057831 TDE= -0.341334 Density= 0.215251 ETOT(band)= -0.232070 trlgG= -0.289785 logG= -0.055634 TDE= -0.340668 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215785 ETOT(band)= -0.233270 trlgG= -0.293900 logG= -0.058260 TDE= -0.342422 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010676 tlogG= -0.047442 logG= -0.058118 Density= 0.215556 ETOT(band)= -0.233307 trlgG= -0.293656 logG= -0.058118 TDE= -0.342206 logGD-logG0= -0.002494 tlogG= -0.010843 logG= -0.013338 Density= 0.054086 ETOT(band)= -0.057515 trlgG= -0.071491 logG= -0.013338 TDE= -0.084918 logGD-logG0= -0.010767 tlogG= -0.048163 logG= -0.058931 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.047888 logG= -0.058602 Density= 0.215851 ETOT(band)= -0.233459 trlgG= -0.294465 logG= -0.058602 TDE= -0.342677 Density= 0.215511 ETOT(band)= -0.233834 trlgG= -0.294985 logG= -0.058931 TDE= -0.342700 logGD-logG0= -0.010282 tlogG= -0.046428 logG= -0.056710 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215312 ETOT(band)= -0.232634 trlgG= -0.291410 logG= -0.056710 TDE= -0.341247 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009911 tlogG= -0.047176 logG= -0.057087 Density= 0.213889 ETOT(band)= -0.233456 trlgG= -0.292383 logG= -0.057087 TDE= -0.341139 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009894 tlogG= -0.047234 logG= -0.057128 logGD-logG0= -0.010718 tlogG= -0.046899 logG= -0.057617 Density= 0.214580 ETOT(band)= -0.233212 trlgG= -0.292506 logG= -0.057128 TDE= -0.341563 Density= 0.215520 ETOT(band)= -0.233029 trlgG= -0.292856 logG= -0.057617 TDE= -0.341889 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010194 tlogG= -0.047167 logG= -0.057361 Density= 0.215246 ETOT(band)= -0.233035 trlgG= -0.292425 logG= -0.057361 TDE= -0.341578 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.021880 logG= -0.026932 Density= 0.108366 ETOT(band)= -0.115099 trlgG= -0.143408 logG= -0.026932 TDE= -0.170101 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004966 tlogG= -0.021570 logG= -0.026537 logGD-logG0= -0.004887 tlogG= -0.020995 logG= -0.025882 Density= 0.108554 ETOT(band)= -0.114734 trlgG= -0.142731 logG= -0.026537 TDE= -0.169913 Density= 0.108748 ETOT(band)= -0.114149 trlgG= -0.141578 logG= -0.025882 TDE= -0.169510 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002435 tlogG= -0.010429 logG= -0.012864 Density= 0.054397 ETOT(band)= -0.057002 trlgG= -0.070650 logG= -0.012864 TDE= -0.084704 logGD-logG0= -0.005130 tlogG= -0.021822 logG= -0.026953 Density= 0.107838 ETOT(band)= -0.115381 trlgG= -0.143462 logG= -0.026953 TDE= -0.169873 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005072 tlogG= -0.021699 logG= -0.026771 Density= 0.107979 ETOT(band)= -0.115190 trlgG= -0.143154 logG= -0.026771 TDE= -0.169817 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010137 tlogG= -0.043401 logG= -0.053538 Density= 0.216368 ETOT(band)= -0.230175 trlgG= -0.286291 logG= -0.053538 TDE= -0.339822 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 Density= 0.080873 ETOT(band)= -0.086854 trlgG= -0.108533 logG= -0.006873 TDE= -0.042631 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.022445 logG= -0.027619 Density= 0.216459 ETOT(band)= -0.230992 trlgG= -0.288411 logG= -0.027619 TDE= -0.170407 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023960 logG= -0.029091 Density= 0.214442 ETOT(band)= -0.233778 trlgG= -0.293692 logG= -0.029091 TDE= -0.170902 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.022970 logG= -0.028209 Density= 0.216312 ETOT(band)= -0.231790 trlgG= -0.290393 logG= -0.028209 TDE= -0.170740 logGD-logG0= -0.004623 tlogG= -0.023980 logG= -0.028603 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212930 ETOT(band)= -0.233933 trlgG= -0.293264 logG= -0.028603 TDE= -0.170675 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023416 logG= -0.028685 logGD-logG0= -0.005216 tlogG= -0.023206 logG= -0.028422 Density= 0.214970 ETOT(band)= -0.232643 trlgG= -0.291003 logG= -0.028422 TDE= -0.170453 Density= 0.216280 ETOT(band)= -0.232365 trlgG= -0.292008 logG= -0.028685 TDE= -0.171026 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001449 tlogG= -0.007967 logG= -0.009416 Density= 0.070909 ETOT(band)= -0.077836 trlgG= -0.097375 logG= -0.009416 TDE= -0.056908 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023365 logG= -0.028849 Density= 0.215202 ETOT(band)= -0.233047 trlgG= -0.292500 logG= -0.028849 TDE= -0.170797 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.024136 logG= -0.028483 Density= 0.212300 ETOT(band)= -0.234027 trlgG= -0.293451 logG= -0.028483 TDE= -0.170817 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004481 tlogG= -0.023745 logG= -0.028226 Density= 0.213209 ETOT(band)= -0.233251 trlgG= -0.291538 logG= -0.028226 TDE= -0.170620 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023897 logG= -0.028546 logGD-logG0= -0.001202 tlogG= -0.005173 logG= -0.006375 Density= 0.062571 ETOT(band)= -0.067452 trlgG= -0.084147 logG= -0.006375 TDE= -0.042321 Density= 0.213400 ETOT(band)= -0.233529 trlgG= -0.292275 logG= -0.028546 TDE= -0.170626 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022914 logG= -0.027930 Density= 0.214903 ETOT(band)= -0.232087 trlgG= -0.289478 logG= -0.027930 TDE= -0.170272 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009179 Density= 0.071534 ETOT(band)= -0.077242 trlgG= -0.096084 logG= -0.009179 TDE= -0.056684 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001293 tlogG= -0.005939 logG= -0.007232 Density= 0.080864 ETOT(band)= -0.087535 trlgG= -0.110285 logG= -0.007232 TDE= -0.042826 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005856 logG= -0.007144 Density= 0.080683 ETOT(band)= -0.087497 trlgG= -0.110089 logG= -0.007144 TDE= -0.042772 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023591 logG= -0.028129 Density= 0.212745 ETOT(band)= -0.233652 trlgG= -0.292508 logG= -0.028129 TDE= -0.170536 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.080672 ETOT(band)= -0.087281 trlgG= -0.109534 logG= -0.007022 TDE= -0.042707 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005984 logG= -0.007276 Density= 0.081090 ETOT(band)= -0.087441 trlgG= -0.110342 logG= -0.007276 TDE= -0.042856 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024000 logG= -0.029288 Density= 0.215770 ETOT(band)= -0.233558 trlgG= -0.294617 logG= -0.029288 TDE= -0.171413 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.023799 logG= -0.029119 Density= 0.215423 ETOT(band)= -0.233459 trlgG= -0.293967 logG= -0.029119 TDE= -0.171261 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023492 logG= -0.028795 Density= 0.215308 ETOT(band)= -0.233022 trlgG= -0.292701 logG= -0.028795 TDE= -0.171004 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023999 logG= -0.029250 logGD-logG0= -0.005127 tlogG= -0.023852 logG= -0.028979 Density= 0.216431 ETOT(band)= -0.233050 trlgG= -0.294154 logG= -0.029250 TDE= -0.171432 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215583 ETOT(band)= -0.233457 trlgG= -0.294064 logG= -0.028979 TDE= -0.170947 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001602 tlogG= -0.006876 logG= -0.008478 Density= 0.040861 ETOT(band)= -0.042622 trlgG= -0.052767 logG= -0.008478 TDE= -0.056411 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004825 tlogG= -0.024009 logG= -0.028835 Density= 0.321718 ETOT(band)= -0.350632 trlgG= -0.441020 logG= -0.028835 TDE= -0.171065 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005380 tlogG= -0.024120 logG= -0.029500 Density= 0.215802 ETOT(band)= -0.233713 trlgG= -0.295031 logG= -0.029500 TDE= -0.171444 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023371 logG= -0.028109 Density= 0.321793 ETOT(band)= -0.349584 trlgG= -0.438443 logG= -0.028109 TDE= -0.170741 logGD-logG0= -0.005097 tlogG= -0.024167 logG= -0.029264 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322580 ETOT(band)= -0.350758 trlgG= -0.441696 logG= -0.029264 TDE= -0.171072 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010531 tlogG= -0.047786 logG= -0.058317 Density= 0.324467 ETOT(band)= -0.349478 trlgG= -0.440727 logG= -0.058317 TDE= -0.342703 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.023894 logG= -0.028854 Density= 0.213898 ETOT(band)= -0.233684 trlgG= -0.292776 logG= -0.028854 TDE= -0.170630 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023762 logG= -0.029025 logGD-logG0= -0.010575 tlogG= -0.047236 logG= -0.057811 Density= 0.216357 ETOT(band)= -0.232747 trlgG= -0.293217 logG= -0.029025 TDE= -0.171264 Density= 0.324255 ETOT(band)= -0.349107 trlgG= -0.439376 logG= -0.057811 TDE= -0.342312 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.024161 logG= -0.029232 Density= 0.214837 ETOT(band)= -0.233855 trlgG= -0.294313 logG= -0.029232 TDE= -0.171076 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010800 tlogG= -0.048050 logG= -0.058850 Density= 0.323377 ETOT(band)= -0.350532 trlgG= -0.442047 logG= -0.058850 TDE= -0.342690 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023956 logG= -0.029201 logGD-logG0= -0.005428 tlogG= -0.023896 logG= -0.029324 Density= 0.215730 ETOT(band)= -0.233461 trlgG= -0.294345 logG= -0.029324 TDE= -0.171268 logGD-logG0= -0.010568 tlogG= -0.046418 logG= -0.056987 Density= 0.216464 ETOT(band)= -0.232947 trlgG= -0.293923 logG= -0.029201 TDE= -0.171405 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324126 ETOT(band)= -0.348447 trlgG= -0.437288 logG= -0.056987 TDE= -0.341756 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010281 tlogG= -0.045647 logG= -0.055928 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324180 ETOT(band)= -0.347501 trlgG= -0.434670 logG= -0.055928 TDE= -0.341135 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.046615 logG= -0.056405 Density= 0.322854 ETOT(band)= -0.348552 trlgG= -0.436098 logG= -0.056405 TDE= -0.341294 logGD-logG0= -0.005082 tlogG= -0.023252 logG= -0.028334 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321856 ETOT(band)= -0.350092 trlgG= -0.439291 logG= -0.028334 TDE= -0.170692 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.024010 logG= -0.028802 Density= 0.214225 ETOT(band)= -0.233765 trlgG= -0.293913 logG= -0.028802 TDE= -0.171069 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005413 tlogG= -0.023955 logG= -0.029368 Density= 0.323785 ETOT(band)= -0.350212 trlgG= -0.441801 logG= -0.029368 TDE= -0.171316 logGD-logG0= -0.004836 tlogG= -0.023247 logG= -0.028083 logGD-logG0= -0.005300 tlogG= -0.024092 logG= -0.029392 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323194 ETOT(band)= -0.350737 trlgG= -0.442346 logG= -0.029392 TDE= -0.171257 Density= 0.213615 ETOT(band)= -0.233285 trlgG= -0.291997 logG= -0.028083 TDE= -0.170583 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.023838 logG= -0.028726 Density= 0.213685 ETOT(band)= -0.233820 trlgG= -0.293515 logG= -0.028726 TDE= -0.170886 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005475 tlogG= -0.023682 logG= -0.029158 logGD-logG0= -0.004706 tlogG= -0.023374 logG= -0.028080 Density= 0.215497 ETOT(band)= -0.233310 trlgG= -0.293644 logG= -0.029158 TDE= -0.171090 Density= 0.214291 ETOT(band)= -0.233052 trlgG= -0.292120 logG= -0.028080 TDE= -0.170748 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009050 tlogG= -0.048108 logG= -0.057158 Density= 0.425780 ETOT(band)= -0.467663 trlgG= -0.586010 logG= -0.057158 TDE= -0.341463 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009544 tlogG= -0.046727 logG= -0.056271 Density= 0.428120 ETOT(band)= -0.465482 trlgG= -0.581402 logG= -0.056271 TDE= -0.340896 logGD-logG0= -0.010352 tlogG= -0.047682 logG= -0.058034 logGD-logG0= -0.009746 tlogG= -0.047846 logG= -0.057592 Density= 0.428249 ETOT(band)= -0.467512 trlgG= -0.587409 logG= -0.057592 TDE= -0.341944 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010417 tlogG= -0.047967 logG= -0.058384 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428500 ETOT(band)= -0.467500 trlgG= -0.586740 logG= -0.058034 TDE= -0.341584 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429400 ETOT(band)= -0.467602 trlgG= -0.587818 logG= -0.058384 TDE= -0.341822 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.021307 logG= -0.026275 Density= 0.162708 ETOT(band)= -0.172772 trlgG= -0.215780 logG= -0.026275 TDE= -0.169725 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010590 tlogG= -0.048085 logG= -0.058675 logGD-logG0= -0.010249 tlogG= -0.048157 logG= -0.058406 Density= 0.429495 ETOT(band)= -0.467642 trlgG= -0.588185 logG= -0.058406 TDE= -0.341993 Density= 0.430328 ETOT(band)= -0.467487 trlgG= -0.588620 logG= -0.058675 TDE= -0.342318 logGD-logG0= -0.010381 tlogG= -0.048234 logG= -0.058615 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430222 ETOT(band)= -0.467655 trlgG= -0.588946 logG= -0.058615 TDE= -0.342192 logGD-logG0= -0.010757 tlogG= -0.047747 logG= -0.058503 logGD-logG0= -0.009921 tlogG= -0.047863 logG= -0.057785 Density= 0.429334 ETOT(band)= -0.467302 trlgG= -0.587403 logG= -0.057785 TDE= -0.341935 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430928 ETOT(band)= -0.466919 trlgG= -0.587919 logG= -0.058503 TDE= -0.342336 logGD-logG0= -0.010881 tlogG= -0.047690 logG= -0.058571 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431264 ETOT(band)= -0.466868 trlgG= -0.588285 logG= -0.058571 TDE= -0.342444 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009610 tlogG= -0.046614 logG= -0.056224 Density= 0.428316 ETOT(band)= -0.466208 trlgG= -0.584014 logG= -0.056224 TDE= -0.341315 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010806 tlogG= -0.048014 logG= -0.058820 logGD-logG0= -0.009737 tlogG= -0.047671 logG= -0.057408 Density= 0.431501 ETOT(band)= -0.467153 trlgG= -0.589279 logG= -0.058820 TDE= -0.342709 Density= 0.426902 ETOT(band)= -0.467706 trlgG= -0.586520 logG= -0.057408 TDE= -0.341472 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010037 tlogG= -0.046409 logG= -0.056446 Density= 0.429740 ETOT(band)= -0.464933 trlgG= -0.581104 logG= -0.056446 TDE= -0.341012 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.046943 logG= -0.057362 Density= 0.430077 ETOT(band)= -0.465856 trlgG= -0.583785 logG= -0.057362 TDE= -0.341289 logGD-logG0= -0.001713 tlogG= -0.007118 logG= -0.008831 Density= 0.072258 ETOT(band)= -0.076383 trlgG= -0.094780 logG= -0.008831 TDE= -0.056571 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010102 tlogG= -0.047567 logG= -0.057669 Density= 0.428816 ETOT(band)= -0.466847 trlgG= -0.585791 logG= -0.057669 TDE= -0.341631 logGD-logG0= -0.005004 tlogG= -0.022296 logG= -0.027300 Density= 0.214373 ETOT(band)= -0.232121 trlgG= -0.289226 logG= -0.027300 TDE= -0.170007 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004892 tlogG= -0.022332 logG= -0.027224 Density= 0.323023 ETOT(band)= -0.347521 trlgG= -0.433709 logG= -0.027224 TDE= -0.170090 logGD-logG0= -0.004969 tlogG= -0.022479 logG= -0.027448 Density= 0.215128 ETOT(band)= -0.231354 trlgG= -0.287837 logG= -0.027448 TDE= -0.170020 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010817 tlogG= -0.047284 logG= -0.058101 Density= 0.430664 ETOT(band)= -0.466492 trlgG= -0.586445 logG= -0.058101 TDE= -0.341953 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010343 tlogG= -0.047583 logG= -0.057927 Density= 0.430200 ETOT(band)= -0.466505 trlgG= -0.585714 logG= -0.057927 TDE= -0.341733 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005469 logG= -0.006709 Density= 0.081233 ETOT(band)= -0.086246 trlgG= -0.107300 logG= -0.006709 TDE= -0.042534 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009691 tlogG= -0.047790 logG= -0.057481 logGD-logG0= -0.010077 tlogG= -0.044636 logG= -0.054713 Density= 0.324423 ETOT(band)= -0.346233 trlgG= -0.431666 logG= -0.054713 TDE= -0.340461 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427402 ETOT(band)= -0.467263 trlgG= -0.585382 logG= -0.057481 TDE= -0.341175 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.021884 logG= -0.027023 logGD-logG0= -0.004852 tlogG= -0.022331 logG= -0.027183 Density= 0.215132 ETOT(band)= -0.231643 trlgG= -0.288883 logG= -0.027183 TDE= -0.170095 Density= 0.216713 ETOT(band)= -0.229997 trlgG= -0.286301 logG= -0.027023 TDE= -0.170069 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005051 tlogG= -0.021356 logG= -0.026406 Density= 0.217102 ETOT(band)= -0.228894 trlgG= -0.284103 logG= -0.026406 TDE= -0.169738 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006529 Density= 0.081586 ETOT(band)= -0.085582 trlgG= -0.106146 logG= -0.006529 TDE= -0.042422 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.021211 logG= -0.026220 Density= 0.216436 ETOT(band)= -0.229746 trlgG= -0.285349 logG= -0.026220 TDE= -0.169645 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009929 tlogG= -0.044634 logG= -0.054563 Density= 0.431799 ETOT(band)= -0.461483 trlgG= -0.574345 logG= -0.054563 TDE= -0.340098 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.388975798619 eV TrLogG= -407.043978707967 eV Ratio to renormalize= 0.999576444254 rho-rho_expected= 0.009322174870 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 54) Finished k-point number 110 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 76) Finished k-point number 154 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964325211285358 0.939762194997990 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001504 tlogG= -0.007813 logG= -0.009317 Density= 0.035513 ETOT(band)= -0.038870 trlgG= -0.048570 logG= -0.009317 TDE= -0.056826 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009468 Density= 0.035335 ETOT(band)= -0.039019 trlgG= -0.048932 logG= -0.009468 TDE= -0.056949 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004373 tlogG= -0.024058 logG= -0.028431 Density= 0.106182 ETOT(band)= -0.116995 trlgG= -0.146672 logG= -0.028431 TDE= -0.170786 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004400 tlogG= -0.023981 logG= -0.028381 Density= 0.106234 ETOT(band)= -0.116951 trlgG= -0.146560 logG= -0.028381 TDE= -0.170748 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.022997 logG= -0.027761 Density= 0.106932 ETOT(band)= -0.116330 trlgG= -0.145095 logG= -0.027761 TDE= -0.170249 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001710 tlogG= -0.007307 logG= -0.009017 Density= 0.035862 ETOT(band)= -0.038525 trlgG= -0.047876 logG= -0.009017 TDE= -0.056605 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004965 tlogG= -0.021573 logG= -0.026538 Density= 0.108556 ETOT(band)= -0.114740 trlgG= -0.142739 logG= -0.026538 TDE= -0.169920 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004886 tlogG= -0.020998 logG= -0.025884 Density= 0.108750 ETOT(band)= -0.114154 trlgG= -0.141586 logG= -0.025884 TDE= -0.169517 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002354 tlogG= -0.011886 logG= -0.014241 Density= 0.053588 ETOT(band)= -0.058323 trlgG= -0.073212 logG= -0.014241 TDE= -0.085490 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002631 tlogG= -0.012036 logG= -0.014668 Density= 0.053786 ETOT(band)= -0.058458 trlgG= -0.073631 logG= -0.014668 TDE= -0.085580 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002449 tlogG= -0.012085 logG= -0.014534 Density= 0.053610 ETOT(band)= -0.058467 trlgG= -0.073575 logG= -0.014534 TDE= -0.085570 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002362 tlogG= -0.011451 logG= -0.013813 Density= 0.053763 ETOT(band)= -0.057994 trlgG= -0.072450 logG= -0.013813 TDE= -0.085241 logGD-logG0= -0.002592 tlogG= -0.011986 logG= -0.014578 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054156 ETOT(band)= -0.058226 trlgG= -0.073501 logG= -0.014578 TDE= -0.085723 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023435 logG= -0.028645 logGD-logG0= -0.005217 tlogG= -0.023767 logG= -0.028984 Density= 0.108172 ETOT(band)= -0.116237 trlgG= -0.146190 logG= -0.028645 TDE= -0.171074 logGD-logG0= -0.005167 tlogG= -0.022988 logG= -0.028155 logGD-logG0= -0.005098 tlogG= -0.022464 logG= -0.027562 Density= 0.108248 ETOT(band)= -0.115593 trlgG= -0.144470 logG= -0.027562 TDE= -0.170474 Density= 0.108217 ETOT(band)= -0.116400 trlgG= -0.146727 logG= -0.028984 TDE= -0.171294 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.115966 trlgG= -0.145416 logG= -0.028155 TDE= -0.170793 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004595 tlogG= -0.024055 logG= -0.028650 Density= 0.106450 ETOT(band)= -0.116987 trlgG= -0.146687 logG= -0.028650 TDE= -0.170714 logGD-logG0= -0.005335 tlogG= -0.024081 logG= -0.029417 logGD-logG0= -0.005204 tlogG= -0.023954 logG= -0.029158 Density= 0.108267 ETOT(band)= -0.116475 trlgG= -0.147006 logG= -0.029158 TDE= -0.171424 Density= 0.107688 ETOT(band)= -0.116919 trlgG= -0.147409 logG= -0.029417 TDE= -0.171282 logGD-logG0= -0.005015 tlogG= -0.022177 logG= -0.027193 Density= 0.108403 ETOT(band)= -0.115289 trlgG= -0.143864 logG= -0.027193 TDE= -0.170315 logGD-logG0= -0.004677 tlogG= -0.023213 logG= -0.027890 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106797 ETOT(band)= -0.116459 trlgG= -0.145359 logG= -0.027890 TDE= -0.170318 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.023221 logG= -0.028382 logGD-logG0= -0.005191 tlogG= -0.023875 logG= -0.029066 Density= 0.108236 ETOT(band)= -0.116061 trlgG= -0.145772 logG= -0.028382 TDE= -0.170951 logGD-logG0= -0.002661 tlogG= -0.011989 logG= -0.014650 Density= 0.108288 ETOT(band)= -0.116411 trlgG= -0.146858 logG= -0.029066 TDE= -0.171377 Density= 0.054004 ETOT(band)= -0.058345 trlgG= -0.073619 logG= -0.014650 TDE= -0.085693 logGD-logG0= -0.005343 tlogG= -0.023692 logG= -0.029035 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.024134 logG= -0.029521 Density= 0.107855 ETOT(band)= -0.116917 trlgG= -0.147601 logG= -0.029521 TDE= -0.171451 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107283 ETOT(band)= -0.116848 trlgG= -0.146735 logG= -0.029035 TDE= -0.170789 logGD-logG0= -0.005193 tlogG= -0.023609 logG= -0.028802 logGD-logG0= -0.005047 tlogG= -0.023657 logG= -0.028704 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.022740 logG= -0.027835 Density= 0.108292 ETOT(band)= -0.115731 trlgG= -0.144906 logG= -0.027835 TDE= -0.170660 Density= 0.108243 ETOT(band)= -0.116285 trlgG= -0.146436 logG= -0.028802 TDE= -0.171198 Density= 0.107034 ETOT(band)= -0.116773 trlgG= -0.146183 logG= -0.028704 TDE= -0.170444 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023975 logG= -0.029262 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107492 ETOT(band)= -0.116903 trlgG= -0.147134 logG= -0.029262 TDE= -0.171064 logGD-logG0= -0.004888 tlogG= -0.023696 logG= -0.028584 Density= 0.107429 ETOT(band)= -0.116569 trlgG= -0.146294 logG= -0.028584 TDE= -0.170872 logGD-logG0= -0.004922 tlogG= -0.022858 logG= -0.027780 Density= 0.107797 ETOT(band)= -0.115943 trlgG= -0.144829 logG= -0.027780 TDE= -0.170392 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023679 logG= -0.028409 logGD-logG0= -0.004952 tlogG= -0.023907 logG= -0.028858 Density= 0.106814 ETOT(band)= -0.116952 trlgG= -0.146797 logG= -0.028858 TDE= -0.170796 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106658 ETOT(band)= -0.116795 trlgG= -0.146268 logG= -0.028409 TDE= -0.170638 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005355 tlogG= -0.024089 logG= -0.029443 Density= 0.107930 ETOT(band)= -0.116830 trlgG= -0.147477 logG= -0.029443 TDE= -0.171443 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004786 tlogG= -0.023510 logG= -0.028296 Density= 0.106833 ETOT(band)= -0.116651 trlgG= -0.145846 logG= -0.028296 TDE= -0.170416 logGD-logG0= -0.004766 tlogG= -0.023692 logG= -0.028458 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107031 ETOT(band)= -0.116683 trlgG= -0.146378 logG= -0.028458 TDE= -0.170885 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.024075 logG= -0.029013 Density= 0.107110 ETOT(band)= -0.116938 trlgG= -0.147056 logG= -0.029013 TDE= -0.171046 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.023914 logG= -0.029281 logGD-logG0= -0.005357 tlogG= -0.023208 logG= -0.028565 Density= 0.107796 ETOT(band)= -0.116787 trlgG= -0.147196 logG= -0.029281 TDE= -0.171258 Density= 0.107731 ETOT(band)= -0.116396 trlgG= -0.146046 logG= -0.028565 TDE= -0.170792 logGD-logG0= -0.005051 tlogG= -0.024100 logG= -0.029151 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.022885 logG= -0.028053 Density= 0.107429 ETOT(band)= -0.116880 trlgG= -0.147037 logG= -0.029151 TDE= -0.171046 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107667 ETOT(band)= -0.116146 trlgG= -0.145236 logG= -0.028053 TDE= -0.170462 logGD-logG0= -0.004800 tlogG= -0.022858 logG= -0.027658 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107352 ETOT(band)= -0.116082 trlgG= -0.144950 logG= -0.027658 TDE= -0.170415 logGD-logG0= -0.005341 tlogG= -0.023872 logG= -0.029213 Density= 0.107958 ETOT(band)= -0.116658 trlgG= -0.147094 logG= -0.029213 TDE= -0.171304 logGD-logG0= -0.009899 tlogG= -0.048257 logG= -0.058156 Density= 0.214505 ETOT(band)= -0.233837 trlgG= -0.294193 logG= -0.058156 TDE= -0.342184 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.024060 logG= -0.029390 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107989 ETOT(band)= -0.116764 trlgG= -0.147390 logG= -0.029390 TDE= -0.171438 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005377 tlogG= -0.023582 logG= -0.028959 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107845 ETOT(band)= -0.116560 trlgG= -0.146677 logG= -0.028959 TDE= -0.171085 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009590 tlogG= -0.045774 logG= -0.055364 Density= 0.215123 ETOT(band)= -0.232003 trlgG= -0.289807 logG= -0.055364 TDE= -0.340896 logGD-logG0= -0.010045 tlogG= -0.047912 logG= -0.057957 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009211 tlogG= -0.047649 logG= -0.056861 Density= 0.213050 ETOT(band)= -0.233710 trlgG= -0.292676 logG= -0.056861 TDE= -0.341243 logGD-logG0= -0.009868 tlogG= -0.045602 logG= -0.055470 Density= 0.214078 ETOT(band)= -0.233870 trlgG= -0.293874 logG= -0.057957 TDE= -0.341854 Density= 0.214477 ETOT(band)= -0.232345 trlgG= -0.289975 logG= -0.055470 TDE= -0.340639 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009636 tlogG= -0.047955 logG= -0.057591 Density= 0.213391 ETOT(band)= -0.233924 trlgG= -0.293314 logG= -0.057591 TDE= -0.341320 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009911 tlogG= -0.047180 logG= -0.057091 Density= 0.213893 ETOT(band)= -0.233467 trlgG= -0.292399 logG= -0.057091 TDE= -0.341153 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010620 tlogG= -0.047764 logG= -0.058384 logGD-logG0= -0.009765 tlogG= -0.047170 logG= -0.056936 Density= 0.213881 ETOT(band)= -0.233422 trlgG= -0.292606 logG= -0.056936 TDE= -0.341510 Density= 0.214857 ETOT(band)= -0.233767 trlgG= -0.294018 logG= -0.058384 TDE= -0.341956 logGD-logG0= -0.009539 tlogG= -0.047460 logG= -0.056999 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214419 ETOT(band)= -0.233260 trlgG= -0.292745 logG= -0.056999 TDE= -0.341851 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002434 tlogG= -0.010430 logG= -0.012865 logGD-logG0= -0.010422 tlogG= -0.048000 logG= -0.058421 Density= 0.215170 ETOT(band)= -0.233679 trlgG= -0.294116 logG= -0.058421 TDE= -0.342172 Density= 0.054397 ETOT(band)= -0.057004 trlgG= -0.070654 logG= -0.012865 TDE= -0.084707 logGD-logG0= -0.010655 tlogG= -0.048035 logG= -0.058690 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215203 ETOT(band)= -0.233816 trlgG= -0.294560 logG= -0.058690 TDE= -0.342363 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001645 tlogG= -0.006994 logG= -0.008640 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.048100 logG= -0.058675 Density= 0.215166 ETOT(band)= -0.233825 trlgG= -0.294533 logG= -0.058675 TDE= -0.342333 logGD-logG0= -0.010484 tlogG= -0.047804 logG= -0.058287 logGD-logG0= -0.010275 tlogG= -0.047682 logG= -0.057957 Density= 0.214060 ETOT(band)= -0.233857 trlgG= -0.293626 logG= -0.057957 TDE= -0.341597 Density= 0.036210 ETOT(band)= -0.038081 trlgG= -0.047220 logG= -0.008640 TDE= -0.056499 Density= 0.214757 ETOT(band)= -0.233759 trlgG= -0.293847 logG= -0.058287 TDE= -0.341832 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010168 tlogG= -0.048044 logG= -0.058212 logGD-logG0= -0.010657 tlogG= -0.047946 logG= -0.058603 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010731 tlogG= -0.047533 logG= -0.058264 Density= 0.215789 ETOT(band)= -0.233281 trlgG= -0.293917 logG= -0.058264 TDE= -0.342436 Density= 0.215982 ETOT(band)= -0.233399 trlgG= -0.294482 logG= -0.058603 TDE= -0.342757 Density= 0.214634 ETOT(band)= -0.233786 trlgG= -0.293945 logG= -0.058212 TDE= -0.341945 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009972 tlogG= -0.045666 logG= -0.055638 Density= 0.215254 ETOT(band)= -0.232081 trlgG= -0.289801 logG= -0.055638 TDE= -0.340682 logGD-logG0= -0.010498 tlogG= -0.047336 logG= -0.057835 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214369 ETOT(band)= -0.233654 trlgG= -0.293102 logG= -0.057835 TDE= -0.341348 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010766 tlogG= -0.048168 logG= -0.058935 Density= 0.215515 ETOT(band)= -0.233845 trlgG= -0.295001 logG= -0.058935 TDE= -0.342714 logGD-logG0= -0.010281 tlogG= -0.046433 logG= -0.056714 logGD-logG0= -0.010711 tlogG= -0.047894 logG= -0.058605 Density= 0.215316 ETOT(band)= -0.232645 trlgG= -0.291426 logG= -0.056714 TDE= -0.341261 Density= 0.215855 ETOT(band)= -0.233470 trlgG= -0.294481 logG= -0.058605 TDE= -0.342691 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022416 logG= -0.027487 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107687 ETOT(band)= -0.115813 trlgG= -0.144341 logG= -0.027487 TDE= -0.170143 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010675 tlogG= -0.047447 logG= -0.058121 logGD-logG0= -0.002494 tlogG= -0.010845 logG= -0.013338 Density= 0.215560 ETOT(band)= -0.233317 trlgG= -0.293672 logG= -0.058121 TDE= -0.342221 logGD-logG0= -0.009893 tlogG= -0.047239 logG= -0.057132 Density= 0.214584 ETOT(band)= -0.233224 trlgG= -0.292522 logG= -0.057132 TDE= -0.341577 Density= 0.054086 ETOT(band)= -0.057518 trlgG= -0.071495 logG= -0.013338 TDE= -0.084921 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010718 tlogG= -0.046904 logG= -0.057621 Density= 0.215524 ETOT(band)= -0.233040 trlgG= -0.292872 logG= -0.057621 TDE= -0.341903 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047172 logG= -0.057365 Density= 0.215249 ETOT(band)= -0.233046 trlgG= -0.292442 logG= -0.057365 TDE= -0.341593 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.021883 logG= -0.026934 Density= 0.108368 ETOT(band)= -0.115104 trlgG= -0.143416 logG= -0.026934 TDE= -0.170108 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005130 tlogG= -0.021825 logG= -0.026955 Density= 0.107840 ETOT(band)= -0.115386 trlgG= -0.143470 logG= -0.026955 TDE= -0.169880 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.021702 logG= -0.026773 Density= 0.107981 ETOT(band)= -0.115195 trlgG= -0.143162 logG= -0.026773 TDE= -0.169824 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010136 tlogG= -0.043406 logG= -0.053542 Density= 0.216371 ETOT(band)= -0.230185 trlgG= -0.286307 logG= -0.053542 TDE= -0.339836 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001449 tlogG= -0.007967 logG= -0.009416 Density= 0.070910 ETOT(band)= -0.077840 trlgG= -0.097381 logG= -0.009416 TDE= -0.056911 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.024138 logG= -0.028485 Density= 0.212303 ETOT(band)= -0.234038 trlgG= -0.293467 logG= -0.028485 TDE= -0.170824 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023594 logG= -0.028131 Density= 0.212747 ETOT(band)= -0.233664 trlgG= -0.292525 logG= -0.028131 TDE= -0.170543 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007591 logG= -0.009180 Density= 0.071535 ETOT(band)= -0.077246 trlgG= -0.096089 logG= -0.009180 TDE= -0.056687 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005173 logG= -0.006375 Density= 0.062572 ETOT(band)= -0.067455 trlgG= -0.084152 logG= -0.006375 TDE= -0.042323 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005003 tlogG= -0.022298 logG= -0.027302 Density= 0.214376 ETOT(band)= -0.232132 trlgG= -0.289242 logG= -0.027302 TDE= -0.170014 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005138 tlogG= -0.021887 logG= -0.027025 Density= 0.216717 ETOT(band)= -0.230007 trlgG= -0.286316 logG= -0.027025 TDE= -0.170076 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.021358 logG= -0.026408 Density= 0.217105 ETOT(band)= -0.228905 trlgG= -0.284118 logG= -0.026408 TDE= -0.169745 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.080674 ETOT(band)= -0.087285 trlgG= -0.109540 logG= -0.007022 TDE= -0.042708 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005857 logG= -0.007145 Density= 0.080685 ETOT(band)= -0.087501 trlgG= -0.110095 logG= -0.007145 TDE= -0.042773 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001293 tlogG= -0.005940 logG= -0.007233 Density= 0.080865 ETOT(band)= -0.087539 trlgG= -0.110291 logG= -0.007233 TDE= -0.042827 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 Density= 0.080875 ETOT(band)= -0.086859 trlgG= -0.108539 logG= -0.006873 TDE= -0.042632 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.024004 logG= -0.029290 Density= 0.215774 ETOT(band)= -0.233569 trlgG= -0.294633 logG= -0.029290 TDE= -0.171421 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005985 logG= -0.007276 Density= 0.081091 ETOT(band)= -0.087445 trlgG= -0.110348 logG= -0.007276 TDE= -0.042857 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023495 logG= -0.028797 Density= 0.215312 ETOT(band)= -0.233033 trlgG= -0.292717 logG= -0.028797 TDE= -0.171012 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024002 logG= -0.029252 Density= 0.216435 ETOT(band)= -0.233061 trlgG= -0.294170 logG= -0.029252 TDE= -0.171439 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005319 tlogG= -0.023802 logG= -0.029121 Density= 0.215427 ETOT(band)= -0.233470 trlgG= -0.293983 logG= -0.029121 TDE= -0.171268 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.023855 logG= -0.028981 Density= 0.215587 ETOT(band)= -0.233468 trlgG= -0.294080 logG= -0.028981 TDE= -0.170954 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.024012 logG= -0.028837 Density= 0.321723 ETOT(band)= -0.350649 trlgG= -0.441045 logG= -0.028837 TDE= -0.171072 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023963 logG= -0.029093 Density= 0.214445 ETOT(band)= -0.233789 trlgG= -0.293708 logG= -0.029093 TDE= -0.170909 logGD-logG0= -0.004481 tlogG= -0.023747 logG= -0.028228 Density= 0.213212 ETOT(band)= -0.233262 trlgG= -0.291555 logG= -0.028228 TDE= -0.170627 logGD-logG0= -0.010529 tlogG= -0.047792 logG= -0.058321 Density= 0.324473 ETOT(band)= -0.349494 trlgG= -0.440751 logG= -0.058321 TDE= -0.342717 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023419 logG= -0.028686 logGD-logG0= -0.004623 tlogG= -0.023982 logG= -0.028605 Density= 0.212933 ETOT(band)= -0.233944 trlgG= -0.293280 logG= -0.028605 TDE= -0.170681 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.023959 logG= -0.029202 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216284 ETOT(band)= -0.232376 trlgG= -0.292024 logG= -0.028686 TDE= -0.171033 Density= 0.216468 ETOT(band)= -0.232957 trlgG= -0.293939 logG= -0.029202 TDE= -0.171412 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.022448 logG= -0.027621 logGD-logG0= -0.004737 tlogG= -0.023374 logG= -0.028111 Density= 0.321797 ETOT(band)= -0.349601 trlgG= -0.438468 logG= -0.028111 TDE= -0.170748 Density= 0.216462 ETOT(band)= -0.231003 trlgG= -0.288427 logG= -0.027621 TDE= -0.170414 logGD-logG0= -0.005096 tlogG= -0.024170 logG= -0.029266 Density= 0.322586 ETOT(band)= -0.350774 trlgG= -0.441721 logG= -0.029266 TDE= -0.171079 logGD-logG0= -0.010280 tlogG= -0.045652 logG= -0.055932 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.022973 logG= -0.028211 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324185 ETOT(band)= -0.347517 trlgG= -0.434694 logG= -0.055932 TDE= -0.341149 Density= 0.216315 ETOT(band)= -0.231801 trlgG= -0.290409 logG= -0.028211 TDE= -0.170747 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.024123 logG= -0.029502 Density= 0.215806 ETOT(band)= -0.233724 trlgG= -0.295048 logG= -0.029502 TDE= -0.171451 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001602 tlogG= -0.006877 logG= -0.008479 Density= 0.040862 ETOT(band)= -0.042624 trlgG= -0.052770 logG= -0.008479 TDE= -0.056413 logGD-logG0= -0.010573 tlogG= -0.047242 logG= -0.057815 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324261 ETOT(band)= -0.349123 trlgG= -0.439400 logG= -0.057815 TDE= -0.342326 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.023896 logG= -0.028856 Density= 0.213901 ETOT(band)= -0.233696 trlgG= -0.292793 logG= -0.028856 TDE= -0.170637 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024095 logG= -0.029394 logGD-logG0= -0.005071 tlogG= -0.024164 logG= -0.029234 logGD-logG0= -0.005262 tlogG= -0.023765 logG= -0.029027 Density= 0.216360 ETOT(band)= -0.232757 trlgG= -0.293233 logG= -0.029027 TDE= -0.171271 Density= 0.323200 ETOT(band)= -0.350754 trlgG= -0.442371 logG= -0.029394 TDE= -0.171264 logGD-logG0= -0.004649 tlogG= -0.023900 logG= -0.028549 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.046424 logG= -0.056990 Density= 0.214841 ETOT(band)= -0.233866 trlgG= -0.294330 logG= -0.029234 TDE= -0.171083 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324132 ETOT(band)= -0.348463 trlgG= -0.437312 logG= -0.056990 TDE= -0.341771 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213403 ETOT(band)= -0.233541 trlgG= -0.292291 logG= -0.028549 TDE= -0.170633 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.023899 logG= -0.029326 Density= 0.215734 ETOT(band)= -0.233471 trlgG= -0.294362 logG= -0.029326 TDE= -0.171275 logGD-logG0= -0.004836 tlogG= -0.023249 logG= -0.028085 logGD-logG0= -0.004887 tlogG= -0.023841 logG= -0.028728 Density= 0.213688 ETOT(band)= -0.233831 trlgG= -0.293532 logG= -0.028728 TDE= -0.170893 logGD-logG0= -0.004792 tlogG= -0.024012 logG= -0.028804 Density= 0.214229 ETOT(band)= -0.233776 trlgG= -0.293929 logG= -0.028804 TDE= -0.171076 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.048056 logG= -0.058854 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323383 ETOT(band)= -0.350548 trlgG= -0.442072 logG= -0.058854 TDE= -0.342705 Density= 0.213618 ETOT(band)= -0.233296 trlgG= -0.292013 logG= -0.028085 TDE= -0.170590 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023255 logG= -0.028336 Density= 0.321861 ETOT(band)= -0.350109 trlgG= -0.439316 logG= -0.028336 TDE= -0.170699 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023959 logG= -0.029370 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323791 ETOT(band)= -0.350228 trlgG= -0.441826 logG= -0.029370 TDE= -0.171323 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.046620 logG= -0.056409 Density= 0.322859 ETOT(band)= -0.348568 trlgG= -0.436122 logG= -0.056409 TDE= -0.341307 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005474 tlogG= -0.023686 logG= -0.029160 Density= 0.215500 ETOT(band)= -0.233320 trlgG= -0.293661 logG= -0.029160 TDE= -0.171097 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009745 tlogG= -0.047851 logG= -0.057596 Density= 0.428256 ETOT(band)= -0.467534 trlgG= -0.587442 logG= -0.057596 TDE= -0.341958 logGD-logG0= -0.005483 tlogG= -0.023368 logG= -0.028851 Density= 0.215206 ETOT(band)= -0.233058 trlgG= -0.292517 logG= -0.028851 TDE= -0.170804 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004705 tlogG= -0.023377 logG= -0.028082 Density= 0.214294 ETOT(band)= -0.233063 trlgG= -0.292136 logG= -0.028082 TDE= -0.170755 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009049 tlogG= -0.048113 logG= -0.057162 Density= 0.425785 ETOT(band)= -0.467686 trlgG= -0.586043 logG= -0.057162 TDE= -0.341476 logGD-logG0= -0.004967 tlogG= -0.021309 logG= -0.026276 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162710 ETOT(band)= -0.172780 trlgG= -0.215792 logG= -0.026276 TDE= -0.169732 logGD-logG0= -0.010248 tlogG= -0.048163 logG= -0.058411 Density= 0.429502 ETOT(band)= -0.467664 trlgG= -0.588218 logG= -0.058411 TDE= -0.342007 logGD-logG0= -0.009543 tlogG= -0.046732 logG= -0.056275 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428126 ETOT(band)= -0.465505 trlgG= -0.581435 logG= -0.056275 TDE= -0.340910 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010380 tlogG= -0.048239 logG= -0.058619 Density= 0.430229 ETOT(band)= -0.467677 trlgG= -0.588979 logG= -0.058619 TDE= -0.342207 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.048090 logG= -0.058679 Density= 0.430335 ETOT(band)= -0.467508 trlgG= -0.588653 logG= -0.058679 TDE= -0.342333 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010351 tlogG= -0.047687 logG= -0.058038 Density= 0.428507 ETOT(band)= -0.467522 trlgG= -0.586773 logG= -0.058038 TDE= -0.341598 logGD-logG0= -0.010416 tlogG= -0.047972 logG= -0.058388 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010878 tlogG= -0.047696 logG= -0.058574 logGD-logG0= -0.009691 tlogG= -0.047794 logG= -0.057485 Density= 0.427408 ETOT(band)= -0.467285 trlgG= -0.585415 logG= -0.057485 TDE= -0.341189 Density= 0.429407 ETOT(band)= -0.467624 trlgG= -0.587851 logG= -0.058388 TDE= -0.341836 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047676 logG= -0.057412 Density= 0.426908 ETOT(band)= -0.467729 trlgG= -0.586553 logG= -0.057412 TDE= -0.341486 Density= 0.431272 ETOT(band)= -0.466890 trlgG= -0.588318 logG= -0.058574 TDE= -0.342458 logGD-logG0= -0.009609 tlogG= -0.046619 logG= -0.056228 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428322 ETOT(band)= -0.466230 trlgG= -0.584047 logG= -0.056228 TDE= -0.341329 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009920 tlogG= -0.047868 logG= -0.057789 Density= 0.429341 ETOT(band)= -0.467325 trlgG= -0.587435 logG= -0.057789 TDE= -0.341949 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010804 tlogG= -0.048021 logG= -0.058824 Density= 0.431509 ETOT(band)= -0.467174 trlgG= -0.589312 logG= -0.058824 TDE= -0.342723 logGD-logG0= -0.010756 tlogG= -0.047751 logG= -0.058507 Density= 0.430936 ETOT(band)= -0.466941 trlgG= -0.587952 logG= -0.058507 TDE= -0.342351 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010100 tlogG= -0.047572 logG= -0.057673 Density= 0.428823 ETOT(band)= -0.466869 trlgG= -0.585823 logG= -0.057673 TDE= -0.341645 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010036 tlogG= -0.046414 logG= -0.056450 Density= 0.429746 ETOT(band)= -0.464955 trlgG= -0.581136 logG= -0.056450 TDE= -0.341026 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.046948 logG= -0.057366 Density= 0.430084 ETOT(band)= -0.465878 trlgG= -0.583818 logG= -0.057366 TDE= -0.341303 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023208 logG= -0.028424 logGD-logG0= -0.010816 tlogG= -0.047289 logG= -0.058105 Density= 0.430672 ETOT(band)= -0.466514 trlgG= -0.586478 logG= -0.058105 TDE= -0.341967 Density= 0.214973 ETOT(band)= -0.232654 trlgG= -0.291020 logG= -0.028424 TDE= -0.170461 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.022335 logG= -0.027226 Density= 0.323028 ETOT(band)= -0.347538 trlgG= -0.433733 logG= -0.027226 TDE= -0.170097 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006529 Density= 0.081588 ETOT(band)= -0.085586 trlgG= -0.106152 logG= -0.006529 TDE= -0.042424 logGD-logG0= -0.010342 tlogG= -0.047588 logG= -0.057931 Density= 0.430207 ETOT(band)= -0.466527 trlgG= -0.585748 logG= -0.057931 TDE= -0.341747 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010076 tlogG= -0.044641 logG= -0.054717 Density= 0.324429 ETOT(band)= -0.346249 trlgG= -0.431690 logG= -0.054717 TDE= -0.340475 logGD-logG0= -0.001239 tlogG= -0.005470 logG= -0.006709 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081234 ETOT(band)= -0.086250 trlgG= -0.107306 logG= -0.006709 TDE= -0.042535 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001713 tlogG= -0.007119 logG= -0.008832 Density= 0.072260 ETOT(band)= -0.076387 trlgG= -0.094786 logG= -0.008832 TDE= -0.056573 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005016 tlogG= -0.022916 logG= -0.027932 logGD-logG0= -0.004969 tlogG= -0.022481 logG= -0.027450 Density= 0.215131 ETOT(band)= -0.231365 trlgG= -0.287854 logG= -0.027450 TDE= -0.170027 Density= 0.214906 ETOT(band)= -0.232098 trlgG= -0.289494 logG= -0.027932 TDE= -0.170279 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.022334 logG= -0.027185 Density= 0.215135 ETOT(band)= -0.231654 trlgG= -0.288900 logG= -0.027185 TDE= -0.170102 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005008 tlogG= -0.021214 logG= -0.026222 Density= 0.216439 ETOT(band)= -0.229757 trlgG= -0.285365 logG= -0.026222 TDE= -0.169651 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009927 tlogG= -0.044639 logG= -0.054567 Density= 0.431806 ETOT(band)= -0.461505 trlgG= -0.574377 logG= -0.054567 TDE= -0.340112 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.404260717644 eV TrLogG= -407.069078493505 eV Ratio to renormalize= 0.999560498204 rho-rho_expected= 0.009673290951 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964298016481810 0.939723590306791 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014240 Density= 0.053588 ETOT(band)= -0.058321 trlgG= -0.073210 logG= -0.014240 TDE= -0.085488 logGD-logG0= -0.002362 tlogG= -0.011450 logG= -0.013813 Density= 0.053762 ETOT(band)= -0.057992 trlgG= -0.072447 logG= -0.013813 TDE= -0.085239 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022176 logG= -0.027192 Density= 0.108402 ETOT(band)= -0.115285 trlgG= -0.143860 logG= -0.027192 TDE= -0.170310 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.023656 logG= -0.028703 Density= 0.107033 ETOT(band)= -0.116769 trlgG= -0.146178 logG= -0.028703 TDE= -0.170440 logGD-logG0= -0.005344 tlogG= -0.023690 logG= -0.029034 Density= 0.107282 ETOT(band)= -0.116844 trlgG= -0.146730 logG= -0.029034 TDE= -0.170784 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023207 logG= -0.028564 Density= 0.107729 ETOT(band)= -0.116393 trlgG= -0.146041 logG= -0.028564 TDE= -0.170787 logGD-logG0= -0.004800 tlogG= -0.022856 logG= -0.027657 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107351 ETOT(band)= -0.116079 trlgG= -0.144945 logG= -0.027657 TDE= -0.170410 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002494 tlogG= -0.010844 logG= -0.013338 Density= 0.054086 ETOT(band)= -0.057516 trlgG= -0.071493 logG= -0.013338 TDE= -0.084919 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002449 tlogG= -0.012084 logG= -0.014534 Density= 0.053609 ETOT(band)= -0.058465 trlgG= -0.073572 logG= -0.014534 TDE= -0.085567 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002593 tlogG= -0.011985 logG= -0.014578 Density= 0.054156 ETOT(band)= -0.058224 trlgG= -0.073499 logG= -0.014578 TDE= -0.085720 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023874 logG= -0.029066 Density= 0.108286 ETOT(band)= -0.116408 trlgG= -0.146853 logG= -0.029066 TDE= -0.171373 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023580 logG= -0.028958 logGD-logG0= -0.009212 tlogG= -0.047647 logG= -0.056859 Density= 0.213048 ETOT(band)= -0.233703 trlgG= -0.292666 logG= -0.056859 TDE= -0.341234 Density= 0.107843 ETOT(band)= -0.116557 trlgG= -0.146672 logG= -0.028958 TDE= -0.171080 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004544 ETOT(band)= -0.004727 trlgG= -0.005849 logG= -0.001051 TDE= -0.007046 logGD-logG0= -0.009911 tlogG= -0.047178 logG= -0.057090 Density= 0.213890 ETOT(band)= -0.233460 trlgG= -0.292389 logG= -0.057090 TDE= -0.341144 logGD-logG0= -0.002631 tlogG= -0.012036 logG= -0.014667 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053786 ETOT(band)= -0.058457 trlgG= -0.073629 logG= -0.014667 TDE= -0.085577 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001422 tlogG= -0.008046 logG= -0.009468 Density= 0.035335 ETOT(band)= -0.039017 trlgG= -0.048930 logG= -0.009468 TDE= -0.056948 logGD-logG0= -0.009973 tlogG= -0.045663 logG= -0.055636 logGD-logG0= -0.001504 tlogG= -0.007813 logG= -0.009317 Density= 0.035513 ETOT(band)= -0.038869 trlgG= -0.048568 logG= -0.009317 TDE= -0.056825 Density= 0.215252 ETOT(band)= -0.232074 trlgG= -0.289791 logG= -0.055636 TDE= -0.340673 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.023433 logG= -0.028644 Density= 0.108171 ETOT(band)= -0.116234 trlgG= -0.146186 logG= -0.028644 TDE= -0.171070 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023766 logG= -0.028983 logGD-logG0= -0.004373 tlogG= -0.024057 logG= -0.028430 Density= 0.106182 ETOT(band)= -0.116991 trlgG= -0.146667 logG= -0.028430 TDE= -0.170781 Density= 0.108216 ETOT(band)= -0.116397 trlgG= -0.146722 logG= -0.028983 TDE= -0.171290 logGD-logG0= -0.005168 tlogG= -0.022986 logG= -0.028154 Density= 0.108177 ETOT(band)= -0.115963 trlgG= -0.145411 logG= -0.028154 TDE= -0.170788 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.024080 logG= -0.029416 Density= 0.107687 ETOT(band)= -0.116916 trlgG= -0.147404 logG= -0.029416 TDE= -0.171278 logGD-logG0= -0.005205 tlogG= -0.023952 logG= -0.029157 Density= 0.108266 ETOT(band)= -0.116472 trlgG= -0.147001 logG= -0.029157 TDE= -0.171420 logGD-logG0= -0.005099 tlogG= -0.022463 logG= -0.027561 Density= 0.108247 ETOT(band)= -0.115590 trlgG= -0.144465 logG= -0.027561 TDE= -0.170470 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004400 tlogG= -0.023980 logG= -0.028380 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106233 ETOT(band)= -0.116948 trlgG= -0.146555 logG= -0.028380 TDE= -0.170744 logGD-logG0= -0.005051 tlogG= -0.024099 logG= -0.029150 logGD-logG0= -0.004595 tlogG= -0.024054 logG= -0.028649 Density= 0.107428 ETOT(band)= -0.116877 trlgG= -0.147032 logG= -0.029150 TDE= -0.171042 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106449 ETOT(band)= -0.116983 trlgG= -0.146682 logG= -0.028649 TDE= -0.170709 logGD-logG0= -0.002661 tlogG= -0.011988 logG= -0.014649 logGD-logG0= -0.005368 tlogG= -0.023912 logG= -0.029280 Density= 0.107795 ETOT(band)= -0.116783 trlgG= -0.147191 logG= -0.029280 TDE= -0.171254 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054003 ETOT(band)= -0.058343 trlgG= -0.073617 logG= -0.014649 TDE= -0.085691 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005356 tlogG= -0.024087 logG= -0.029442 Density= 0.107929 ETOT(band)= -0.116827 trlgG= -0.147472 logG= -0.029442 TDE= -0.171439 logGD-logG0= -0.004923 tlogG= -0.022857 logG= -0.027779 logGD-logG0= -0.005194 tlogG= -0.023608 logG= -0.028801 Density= 0.108242 ETOT(band)= -0.116281 trlgG= -0.146431 logG= -0.028801 TDE= -0.171193 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107796 ETOT(band)= -0.115940 trlgG= -0.144825 logG= -0.027779 TDE= -0.170388 logGD-logG0= -0.004677 tlogG= -0.023212 logG= -0.027889 Density= 0.106796 ETOT(band)= -0.116456 trlgG= -0.145354 logG= -0.027889 TDE= -0.170314 logGD-logG0= -0.005162 tlogG= -0.023219 logG= -0.028381 logGD-logG0= -0.005071 tlogG= -0.022415 logG= -0.027486 Density= 0.107685 ETOT(band)= -0.115809 trlgG= -0.144336 logG= -0.027486 TDE= -0.170138 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108235 ETOT(band)= -0.116057 trlgG= -0.145768 logG= -0.028381 TDE= -0.170947 logGD-logG0= -0.004764 tlogG= -0.022996 logG= -0.027760 Density= 0.106931 ETOT(band)= -0.116326 trlgG= -0.145090 logG= -0.027760 TDE= -0.170245 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023678 logG= -0.028408 logGD-logG0= -0.005288 tlogG= -0.023974 logG= -0.029261 Density= 0.106657 ETOT(band)= -0.116792 trlgG= -0.146262 logG= -0.028408 TDE= -0.170633 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107491 ETOT(band)= -0.116899 trlgG= -0.147129 logG= -0.029261 TDE= -0.171059 logGD-logG0= -0.004952 tlogG= -0.023906 logG= -0.028857 logGD-logG0= -0.005095 tlogG= -0.022739 logG= -0.027834 Density= 0.108290 ETOT(band)= -0.115727 trlgG= -0.144902 logG= -0.027834 TDE= -0.170655 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106813 ETOT(band)= -0.116949 trlgG= -0.146792 logG= -0.028857 TDE= -0.170791 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.022884 logG= -0.028052 Density= 0.107665 ETOT(band)= -0.116143 trlgG= -0.145231 logG= -0.028052 TDE= -0.170458 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004787 tlogG= -0.023509 logG= -0.028295 Density= 0.106832 ETOT(band)= -0.116647 trlgG= -0.145841 logG= -0.028295 TDE= -0.170412 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.023690 logG= -0.028457 logGD-logG0= -0.004888 tlogG= -0.023694 logG= -0.028583 logGD-logG0= -0.004939 tlogG= -0.024073 logG= -0.029012 Density= 0.107428 ETOT(band)= -0.116566 trlgG= -0.146290 logG= -0.028583 TDE= -0.170868 Density= 0.107030 ETOT(band)= -0.116680 trlgG= -0.146373 logG= -0.028457 TDE= -0.170880 Density= 0.107108 ETOT(band)= -0.116934 trlgG= -0.147052 logG= -0.029012 TDE= -0.171042 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005388 tlogG= -0.024133 logG= -0.029521 Density= 0.107853 ETOT(band)= -0.116913 trlgG= -0.147596 logG= -0.029521 TDE= -0.171446 logGD-logG0= -0.009901 tlogG= -0.048254 logG= -0.058154 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214503 ETOT(band)= -0.233830 trlgG= -0.294183 logG= -0.058154 TDE= -0.342175 logGD-logG0= -0.005342 tlogG= -0.023871 logG= -0.029212 Density= 0.107957 ETOT(band)= -0.116654 trlgG= -0.147089 logG= -0.029212 TDE= -0.171299 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024058 logG= -0.029389 Density= 0.107987 ETOT(band)= -0.116761 trlgG= -0.147385 logG= -0.029389 TDE= -0.171434 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.045772 logG= -0.055362 Density= 0.215121 ETOT(band)= -0.231996 trlgG= -0.289797 logG= -0.055362 TDE= -0.340887 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010046 tlogG= -0.047909 logG= -0.057955 Density= 0.214076 ETOT(band)= -0.233863 trlgG= -0.293864 logG= -0.057955 TDE= -0.341845 logGD-logG0= -0.009869 tlogG= -0.045599 logG= -0.055468 logGD-logG0= -0.009767 tlogG= -0.047167 logG= -0.056934 Density= 0.214474 ETOT(band)= -0.232338 trlgG= -0.289965 logG= -0.055468 TDE= -0.340630 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213879 ETOT(band)= -0.233415 trlgG= -0.292597 logG= -0.056934 TDE= -0.341501 logGD-logG0= -0.010423 tlogG= -0.047997 logG= -0.058420 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215167 ETOT(band)= -0.233672 trlgG= -0.294107 logG= -0.058420 TDE= -0.342162 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009636 tlogG= -0.047953 logG= -0.057589 Density= 0.213389 ETOT(band)= -0.233917 trlgG= -0.293304 logG= -0.057589 TDE= -0.341310 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009540 tlogG= -0.047457 logG= -0.056997 logGD-logG0= -0.010137 tlogG= -0.043403 logG= -0.053540 Density= 0.214417 ETOT(band)= -0.233253 trlgG= -0.292735 logG= -0.056997 TDE= -0.341842 Density= 0.216369 ETOT(band)= -0.230179 trlgG= -0.286297 logG= -0.053540 TDE= -0.339827 logGD-logG0= -0.010621 tlogG= -0.047761 logG= -0.058382 logGD-logG0= -0.002435 tlogG= -0.010430 logG= -0.012864 Density= 0.214854 ETOT(band)= -0.233760 trlgG= -0.294008 logG= -0.058382 TDE= -0.341947 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054397 ETOT(band)= -0.057003 trlgG= -0.070651 logG= -0.012864 TDE= -0.084705 logGD-logG0= -0.010656 tlogG= -0.048032 logG= -0.058688 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.048041 logG= -0.058210 Density= 0.214632 ETOT(band)= -0.233779 trlgG= -0.293936 logG= -0.058210 TDE= -0.341936 logGD-logG0= -0.010485 tlogG= -0.047801 logG= -0.058286 Density= 0.214755 ETOT(band)= -0.233752 trlgG= -0.293837 logG= -0.058286 TDE= -0.341823 logGD-logG0= -0.010576 tlogG= -0.048097 logG= -0.058673 Density= 0.215200 ETOT(band)= -0.233809 trlgG= -0.294550 logG= -0.058688 TDE= -0.342354 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215164 ETOT(band)= -0.233818 trlgG= -0.294523 logG= -0.058673 TDE= -0.342324 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001710 tlogG= -0.007307 logG= -0.009016 Density= 0.035861 ETOT(band)= -0.038524 trlgG= -0.047874 logG= -0.009016 TDE= -0.056604 logGD-logG0= -0.001645 tlogG= -0.006994 logG= -0.008639 Density= 0.036209 ETOT(band)= -0.038080 trlgG= -0.047219 logG= -0.008639 TDE= -0.056498 logGD-logG0= -0.010276 tlogG= -0.047679 logG= -0.057955 Density= 0.214057 ETOT(band)= -0.233850 trlgG= -0.293616 logG= -0.057955 TDE= -0.341587 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010732 tlogG= -0.047530 logG= -0.058262 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010659 tlogG= -0.047942 logG= -0.058602 Density= 0.215979 ETOT(band)= -0.233393 trlgG= -0.294472 logG= -0.058602 TDE= -0.342748 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.047334 logG= -0.057833 Density= 0.214367 ETOT(band)= -0.233647 trlgG= -0.293093 logG= -0.057833 TDE= -0.341339 Density= 0.215786 ETOT(band)= -0.233274 trlgG= -0.293907 logG= -0.058262 TDE= -0.342427 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.046430 logG= -0.056712 Density= 0.215313 ETOT(band)= -0.232638 trlgG= -0.291417 logG= -0.056712 TDE= -0.341252 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010767 tlogG= -0.048166 logG= -0.058933 Density= 0.215512 ETOT(band)= -0.233838 trlgG= -0.294992 logG= -0.058933 TDE= -0.342705 logGD-logG0= -0.010676 tlogG= -0.047444 logG= -0.058120 Density= 0.215557 ETOT(band)= -0.233311 trlgG= -0.293663 logG= -0.058120 TDE= -0.342211 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.047891 logG= -0.058604 Density= 0.215852 ETOT(band)= -0.233463 trlgG= -0.294471 logG= -0.058604 TDE= -0.342682 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009894 tlogG= -0.047236 logG= -0.057130 Density= 0.214581 ETOT(band)= -0.233217 trlgG= -0.292512 logG= -0.057130 TDE= -0.341568 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010718 tlogG= -0.046901 logG= -0.057620 Density= 0.215521 ETOT(band)= -0.233033 trlgG= -0.292863 logG= -0.057620 TDE= -0.341894 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010194 tlogG= -0.047169 logG= -0.057363 Density= 0.215247 ETOT(band)= -0.233040 trlgG= -0.292432 logG= -0.057363 TDE= -0.341583 logGD-logG0= -0.001273 tlogG= -0.005749 logG= -0.007022 Density= 0.080673 ETOT(band)= -0.087283 trlgG= -0.109536 logG= -0.007022 TDE= -0.042707 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.021881 logG= -0.026933 Density= 0.108366 ETOT(band)= -0.115101 trlgG= -0.143412 logG= -0.026933 TDE= -0.170103 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004966 tlogG= -0.021571 logG= -0.026538 Density= 0.108555 ETOT(band)= -0.114736 trlgG= -0.142735 logG= -0.026538 TDE= -0.169916 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001252 tlogG= -0.005621 logG= -0.006873 Density= 0.080874 ETOT(band)= -0.086856 trlgG= -0.108536 logG= -0.006873 TDE= -0.042631 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.021824 logG= -0.026954 Density= 0.107839 ETOT(band)= -0.115383 trlgG= -0.143465 logG= -0.026954 TDE= -0.169875 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005131 tlogG= -0.023962 logG= -0.029092 Density= 0.214443 ETOT(band)= -0.233782 trlgG= -0.293699 logG= -0.029092 TDE= -0.170905 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.022447 logG= -0.027620 Density= 0.216459 ETOT(band)= -0.230997 trlgG= -0.288417 logG= -0.027620 TDE= -0.170410 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.023895 logG= -0.028855 Density= 0.213899 ETOT(band)= -0.233689 trlgG= -0.292783 logG= -0.028855 TDE= -0.170633 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.021700 logG= -0.026772 Density= 0.107980 ETOT(band)= -0.115192 trlgG= -0.143158 logG= -0.026772 TDE= -0.169820 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005483 tlogG= -0.023366 logG= -0.028850 Density= 0.215203 ETOT(band)= -0.233051 trlgG= -0.292507 logG= -0.028850 TDE= -0.170799 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001239 tlogG= -0.005470 logG= -0.006709 Density= 0.081233 ETOT(band)= -0.086247 trlgG= -0.107303 logG= -0.006709 TDE= -0.042534 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004886 tlogG= -0.020996 logG= -0.025883 Density= 0.108748 ETOT(band)= -0.114151 trlgG= -0.141581 logG= -0.025883 TDE= -0.169512 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004851 tlogG= -0.022332 logG= -0.027184 Density= 0.215132 ETOT(band)= -0.231647 trlgG= -0.288890 logG= -0.027184 TDE= -0.170097 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001288 tlogG= -0.005856 logG= -0.007144 Density= 0.080684 ETOT(band)= -0.087498 trlgG= -0.110091 logG= -0.007144 TDE= -0.042772 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023958 logG= -0.029202 Density= 0.216465 ETOT(band)= -0.232951 trlgG= -0.293930 logG= -0.029202 TDE= -0.171407 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005475 tlogG= -0.023684 logG= -0.029159 Density= 0.215498 ETOT(band)= -0.233314 trlgG= -0.293651 logG= -0.029159 TDE= -0.171093 logGD-logG0= -0.004968 tlogG= -0.021308 logG= -0.026276 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162708 ETOT(band)= -0.172775 trlgG= -0.215785 logG= -0.026276 TDE= -0.169728 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009692 tlogG= -0.047792 logG= -0.057483 Density= 0.427404 ETOT(band)= -0.467271 trlgG= -0.585395 logG= -0.057483 TDE= -0.341180 logGD-logG0= -0.009050 tlogG= -0.048111 logG= -0.057160 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425781 ETOT(band)= -0.467671 trlgG= -0.586023 logG= -0.057160 TDE= -0.341467 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010037 tlogG= -0.046411 logG= -0.056449 Density= 0.429741 ETOT(band)= -0.464942 trlgG= -0.581117 logG= -0.056449 TDE= -0.341017 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005173 logG= -0.006375 Density= 0.062571 ETOT(band)= -0.067453 trlgG= -0.084149 logG= -0.006375 TDE= -0.042321 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001449 tlogG= -0.007967 logG= -0.009416 Density= 0.070909 ETOT(band)= -0.077837 trlgG= -0.097378 logG= -0.009416 TDE= -0.056909 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001293 tlogG= -0.005940 logG= -0.007233 Density= 0.080864 ETOT(band)= -0.087536 trlgG= -0.110288 logG= -0.007233 TDE= -0.042826 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022915 logG= -0.027931 Density= 0.214904 ETOT(band)= -0.232092 trlgG= -0.289485 logG= -0.027931 TDE= -0.170275 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071535 ETOT(band)= -0.077243 trlgG= -0.096086 logG= -0.009180 TDE= -0.056685 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001292 tlogG= -0.005984 logG= -0.007276 Density= 0.081090 ETOT(band)= -0.087443 trlgG= -0.110345 logG= -0.007276 TDE= -0.042856 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.024137 logG= -0.028484 Density= 0.212301 ETOT(band)= -0.234031 trlgG= -0.293457 logG= -0.028484 TDE= -0.170820 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.023800 logG= -0.029120 Density= 0.215424 ETOT(band)= -0.233463 trlgG= -0.293973 logG= -0.029120 TDE= -0.171264 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024002 logG= -0.029289 logGD-logG0= -0.005251 tlogG= -0.024001 logG= -0.029251 Density= 0.216432 ETOT(band)= -0.233054 trlgG= -0.294161 logG= -0.029251 TDE= -0.171434 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004481 tlogG= -0.023746 logG= -0.028227 Density= 0.213210 ETOT(band)= -0.233255 trlgG= -0.291545 logG= -0.028227 TDE= -0.170623 logGD-logG0= -0.004825 tlogG= -0.024011 logG= -0.028836 Density= 0.215771 ETOT(band)= -0.233562 trlgG= -0.294624 logG= -0.029289 TDE= -0.171416 Density= 0.321719 ETOT(band)= -0.350638 trlgG= -0.441030 logG= -0.028836 TDE= -0.171068 logGD-logG0= -0.004649 tlogG= -0.023898 logG= -0.028548 Density= 0.213401 ETOT(band)= -0.233533 trlgG= -0.292282 logG= -0.028548 TDE= -0.170629 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023592 logG= -0.028130 Density= 0.212746 ETOT(band)= -0.233656 trlgG= -0.292515 logG= -0.028130 TDE= -0.170538 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023853 logG= -0.028980 Density= 0.215584 ETOT(band)= -0.233461 trlgG= -0.294071 logG= -0.028980 TDE= -0.170950 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023494 logG= -0.028796 Density= 0.215309 ETOT(band)= -0.233026 trlgG= -0.292708 logG= -0.028796 TDE= -0.171007 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001602 tlogG= -0.006876 logG= -0.008479 Density= 0.040861 ETOT(band)= -0.042623 trlgG= -0.052768 logG= -0.008479 TDE= -0.056412 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005380 tlogG= -0.024121 logG= -0.029501 Density= 0.215803 ETOT(band)= -0.233718 trlgG= -0.295038 logG= -0.029501 TDE= -0.171446 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.047789 logG= -0.058319 Density= 0.324469 ETOT(band)= -0.349484 trlgG= -0.440737 logG= -0.058319 TDE= -0.342708 logGD-logG0= -0.010800 tlogG= -0.048053 logG= -0.058852 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323379 ETOT(band)= -0.350538 trlgG= -0.442057 logG= -0.058852 TDE= -0.342695 logGD-logG0= -0.010575 tlogG= -0.047239 logG= -0.057813 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324257 ETOT(band)= -0.349113 trlgG= -0.439386 logG= -0.057813 TDE= -0.342317 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023763 logG= -0.029027 logGD-logG0= -0.005268 tlogG= -0.023417 logG= -0.028686 Density= 0.216358 ETOT(band)= -0.232751 trlgG= -0.293224 logG= -0.029027 TDE= -0.171267 Density= 0.216281 ETOT(band)= -0.232369 trlgG= -0.292015 logG= -0.028686 TDE= -0.171028 logGD-logG0= -0.005097 tlogG= -0.024168 logG= -0.029265 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322582 ETOT(band)= -0.350764 trlgG= -0.441707 logG= -0.029265 TDE= -0.171075 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.024162 logG= -0.029233 logGD-logG0= -0.001713 tlogG= -0.007119 logG= -0.008832 Density= 0.072259 ETOT(band)= -0.076385 trlgG= -0.094783 logG= -0.008832 TDE= -0.056571 logGD-logG0= -0.005239 tlogG= -0.022971 logG= -0.028210 Density= 0.214838 ETOT(band)= -0.233860 trlgG= -0.294320 logG= -0.029233 TDE= -0.171079 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005082 tlogG= -0.023253 logG= -0.028335 logGD-logG0= -0.004623 tlogG= -0.023981 logG= -0.028604 Density= 0.212931 ETOT(band)= -0.233937 trlgG= -0.293271 logG= -0.028604 TDE= -0.170677 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321858 ETOT(band)= -0.350099 trlgG= -0.439301 logG= -0.028335 TDE= -0.170694 Density= 0.216312 ETOT(band)= -0.231794 trlgG= -0.290400 logG= -0.028210 TDE= -0.170743 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010281 tlogG= -0.045650 logG= -0.055930 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028110 Density= 0.321794 ETOT(band)= -0.349590 trlgG= -0.438453 logG= -0.028110 TDE= -0.170743 Density= 0.324181 ETOT(band)= -0.347507 trlgG= -0.434680 logG= -0.055930 TDE= -0.341140 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022297 logG= -0.027301 Density= 0.214374 ETOT(band)= -0.232125 trlgG= -0.289232 logG= -0.027301 TDE= -0.170009 logGD-logG0= -0.004836 tlogG= -0.023248 logG= -0.028084 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213616 ETOT(band)= -0.233289 trlgG= -0.292003 logG= -0.028084 TDE= -0.170585 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.023840 logG= -0.028727 Density= 0.213686 ETOT(band)= -0.233824 trlgG= -0.293522 logG= -0.028727 TDE= -0.170889 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010568 tlogG= -0.046421 logG= -0.056989 Density= 0.324128 ETOT(band)= -0.348453 trlgG= -0.437298 logG= -0.056989 TDE= -0.341762 logGD-logG0= -0.004793 tlogG= -0.024011 logG= -0.028804 Density= 0.214226 ETOT(band)= -0.233769 trlgG= -0.293919 logG= -0.028804 TDE= -0.171072 logGD-logG0= -0.009790 tlogG= -0.046618 logG= -0.056407 logGD-logG0= -0.005428 tlogG= -0.023898 logG= -0.029325 Density= 0.215731 ETOT(band)= -0.233465 trlgG= -0.294352 logG= -0.029325 TDE= -0.171270 Density= 0.322856 ETOT(band)= -0.348558 trlgG= -0.436108 logG= -0.056407 TDE= -0.341298 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023957 logG= -0.029369 Density= 0.323787 ETOT(band)= -0.350219 trlgG= -0.441811 logG= -0.029369 TDE= -0.171319 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023375 logG= -0.028081 Density= 0.214292 ETOT(band)= -0.233056 trlgG= -0.292126 logG= -0.028081 TDE= -0.170750 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023207 logG= -0.028423 Density= 0.214971 ETOT(band)= -0.232648 trlgG= -0.291010 logG= -0.028423 TDE= -0.170456 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009746 tlogG= -0.047848 logG= -0.057594 Density= 0.428251 ETOT(band)= -0.467520 trlgG= -0.587422 logG= -0.057594 TDE= -0.341949 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024093 logG= -0.029393 Density= 0.323196 ETOT(band)= -0.350744 trlgG= -0.442357 logG= -0.029393 TDE= -0.171259 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047685 logG= -0.058037 Density= 0.428502 ETOT(band)= -0.467508 trlgG= -0.586753 logG= -0.058037 TDE= -0.341589 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.048088 logG= -0.058677 Density= 0.430330 ETOT(band)= -0.467495 trlgG= -0.588634 logG= -0.058677 TDE= -0.342323 logGD-logG0= -0.009544 tlogG= -0.046730 logG= -0.056273 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010417 tlogG= -0.047969 logG= -0.058386 Density= 0.429402 ETOT(band)= -0.467610 trlgG= -0.587832 logG= -0.058386 TDE= -0.341827 Density= 0.428122 ETOT(band)= -0.465491 trlgG= -0.581416 logG= -0.056273 TDE= -0.340900 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010381 tlogG= -0.048236 logG= -0.058617 Density= 0.430224 ETOT(band)= -0.467663 trlgG= -0.588960 logG= -0.058617 TDE= -0.342197 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010249 tlogG= -0.048160 logG= -0.058409 logGD-logG0= -0.001220 tlogG= -0.005309 logG= -0.006529 Density= 0.429497 ETOT(band)= -0.467650 trlgG= -0.588199 logG= -0.058409 TDE= -0.341998 Density= 0.081587 ETOT(band)= -0.085584 trlgG= -0.106149 logG= -0.006529 TDE= -0.042423 logGD-logG0= -0.009929 tlogG= -0.044636 logG= -0.054565 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431801 ETOT(band)= -0.461492 trlgG= -0.574358 logG= -0.054565 TDE= -0.340103 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010880 tlogG= -0.047693 logG= -0.058573 logGD-logG0= -0.009610 tlogG= -0.046617 logG= -0.056227 Density= 0.428318 ETOT(band)= -0.466216 trlgG= -0.584028 logG= -0.056227 TDE= -0.341320 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431266 ETOT(band)= -0.466877 trlgG= -0.588299 logG= -0.058573 TDE= -0.342449 logGD-logG0= -0.009921 tlogG= -0.047866 logG= -0.057787 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047673 logG= -0.057411 Density= 0.426903 ETOT(band)= -0.467714 trlgG= -0.586533 logG= -0.057411 TDE= -0.341476 Density= 0.429336 ETOT(band)= -0.467311 trlgG= -0.587416 logG= -0.057787 TDE= -0.341940 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010757 tlogG= -0.047749 logG= -0.058506 Density= 0.430930 ETOT(band)= -0.466928 trlgG= -0.587932 logG= -0.058506 TDE= -0.342342 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.021885 logG= -0.027024 Density= 0.216714 ETOT(band)= -0.230001 trlgG= -0.286307 logG= -0.027024 TDE= -0.170071 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010419 tlogG= -0.046946 logG= -0.057364 Density= 0.430079 ETOT(band)= -0.465864 trlgG= -0.583798 logG= -0.057364 TDE= -0.341294 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010805 tlogG= -0.048017 logG= -0.058823 Density= 0.431503 ETOT(band)= -0.467161 trlgG= -0.589293 logG= -0.058823 TDE= -0.342714 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.047569 logG= -0.057671 Density= 0.428818 ETOT(band)= -0.466855 trlgG= -0.585804 logG= -0.057671 TDE= -0.341636 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010816 tlogG= -0.047287 logG= -0.058103 Density= 0.430666 ETOT(band)= -0.466500 trlgG= -0.586459 logG= -0.058103 TDE= -0.341958 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.022334 logG= -0.027225 Density= 0.323024 ETOT(band)= -0.347528 trlgG= -0.433718 logG= -0.027225 TDE= -0.170092 logGD-logG0= -0.010343 tlogG= -0.047586 logG= -0.057929 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430202 ETOT(band)= -0.466514 trlgG= -0.585728 logG= -0.057929 TDE= -0.341738 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010077 tlogG= -0.044638 logG= -0.054715 Density= 0.324425 ETOT(band)= -0.346239 trlgG= -0.431676 logG= -0.054715 TDE= -0.340466 logGD-logG0= -0.004969 tlogG= -0.022480 logG= -0.027449 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215129 ETOT(band)= -0.231358 trlgG= -0.287844 logG= -0.027449 TDE= -0.170023 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.021212 logG= -0.026221 Density= 0.216437 ETOT(band)= -0.229750 trlgG= -0.285356 logG= -0.026221 TDE= -0.169647 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.021357 logG= -0.026407 Density= 0.217103 ETOT(band)= -0.228898 trlgG= -0.284109 logG= -0.026407 TDE= -0.169740 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.394785778767 eV TrLogG= -407.053929128500 eV Ratio to renormalize= 0.999572098926 rho-rho_expected= 0.009417853530 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964340894455089 0.939801005154492 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002449 tlogG= -0.012087 logG= -0.014536 Density= 0.053612 ETOT(band)= -0.058473 trlgG= -0.073583 logG= -0.014536 TDE= -0.085576 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002660 tlogG= -0.011992 logG= -0.014652 Density= 0.054006 ETOT(band)= -0.058350 trlgG= -0.073627 logG= -0.014652 TDE= -0.085700 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001504 tlogG= -0.007815 logG= -0.009319 logGD-logG0= -0.005190 tlogG= -0.023615 logG= -0.028806 Density= 0.108247 ETOT(band)= -0.116295 trlgG= -0.146452 logG= -0.028806 TDE= -0.171212 Density= 0.035514 ETOT(band)= -0.038874 trlgG= -0.048575 logG= -0.009319 TDE= -0.056831 logGD-logG0= -0.005189 tlogG= -0.023881 logG= -0.029070 Density= 0.108292 ETOT(band)= -0.116422 trlgG= -0.146873 logG= -0.029070 TDE= -0.171391 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001422 tlogG= -0.008048 logG= -0.009470 Density= 0.035336 ETOT(band)= -0.039023 trlgG= -0.048938 logG= -0.009470 TDE= -0.056954 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.023878 logG= -0.029217 Density= 0.107962 ETOT(band)= -0.116668 trlgG= -0.147110 logG= -0.029217 TDE= -0.171318 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 logGD-logG0= -0.004400 tlogG= -0.023986 logG= -0.028385 Density= 0.106237 ETOT(band)= -0.116963 trlgG= -0.146576 logG= -0.028385 TDE= -0.170762 logGD-logG0= -0.009865 tlogG= -0.045612 logG= -0.055478 Density= 0.214483 ETOT(band)= -0.232367 trlgG= -0.290007 logG= -0.055478 TDE= -0.340666 Density= 0.004545 ETOT(band)= -0.004728 trlgG= -0.005850 logG= -0.001051 TDE= -0.007047 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002354 tlogG= -0.011889 logG= -0.014242 Density= 0.053590 ETOT(band)= -0.058328 trlgG= -0.073220 logG= -0.014242 TDE= -0.085497 logGD-logG0= -0.002631 tlogG= -0.012039 logG= -0.014669 Density= 0.053788 ETOT(band)= -0.058464 trlgG= -0.073639 logG= -0.014669 TDE= -0.085587 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009969 tlogG= -0.045676 logG= -0.055645 Density= 0.215261 ETOT(band)= -0.232102 trlgG= -0.289832 logG= -0.055645 TDE= -0.340709 logGD-logG0= -0.002361 tlogG= -0.011454 logG= -0.013815 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053765 ETOT(band)= -0.057999 trlgG= -0.072458 logG= -0.013815 TDE= -0.085248 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002591 tlogG= -0.011989 logG= -0.014580 Density= 0.054159 ETOT(band)= -0.058231 trlgG= -0.073509 logG= -0.014580 TDE= -0.085730 logGD-logG0= -0.004786 tlogG= -0.023514 logG= -0.028300 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106836 ETOT(band)= -0.116662 trlgG= -0.145862 logG= -0.028300 TDE= -0.170429 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.022470 logG= -0.027566 Density= 0.108252 ETOT(band)= -0.115604 trlgG= -0.144485 logG= -0.027566 TDE= -0.170488 logGD-logG0= -0.004373 tlogG= -0.024062 logG= -0.028435 logGD-logG0= -0.005208 tlogG= -0.023441 logG= -0.028649 Density= 0.108176 ETOT(band)= -0.116247 trlgG= -0.146206 logG= -0.028649 TDE= -0.171088 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.022994 logG= -0.028159 Density= 0.106185 ETOT(band)= -0.117006 trlgG= -0.146688 logG= -0.028435 TDE= -0.170799 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108182 ETOT(band)= -0.115976 trlgG= -0.145431 logG= -0.028159 TDE= -0.170807 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022863 logG= -0.027784 Density= 0.107801 ETOT(band)= -0.115954 trlgG= -0.144845 logG= -0.027784 TDE= -0.170406 logGD-logG0= -0.005334 tlogG= -0.024086 logG= -0.029420 logGD-logG0= -0.004887 tlogG= -0.023701 logG= -0.028587 Density= 0.107433 ETOT(band)= -0.116580 trlgG= -0.146310 logG= -0.028587 TDE= -0.170886 Density= 0.107692 ETOT(band)= -0.116930 trlgG= -0.147425 logG= -0.029420 TDE= -0.171297 logGD-logG0= -0.005214 tlogG= -0.023773 logG= -0.028987 logGD-logG0= -0.005013 tlogG= -0.022183 logG= -0.027196 Density= 0.108406 ETOT(band)= -0.115299 trlgG= -0.143880 logG= -0.027196 TDE= -0.170328 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108221 ETOT(band)= -0.116410 trlgG= -0.146742 logG= -0.028987 TDE= -0.171308 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023959 logG= -0.029161 Density= 0.108271 ETOT(band)= -0.116486 trlgG= -0.147021 logG= -0.029161 TDE= -0.171438 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004595 tlogG= -0.024059 logG= -0.028654 logGD-logG0= -0.004676 tlogG= -0.023217 logG= -0.027893 Density= 0.106800 ETOT(band)= -0.116471 trlgG= -0.145375 logG= -0.027893 TDE= -0.170332 Density= 0.106453 ETOT(band)= -0.116998 trlgG= -0.146703 logG= -0.028654 TDE= -0.170727 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.023661 logG= -0.028708 logGD-logG0= -0.005286 tlogG= -0.023980 logG= -0.029266 Density= 0.107037 ETOT(band)= -0.116784 trlgG= -0.146199 logG= -0.028708 TDE= -0.170459 Density= 0.107496 ETOT(band)= -0.116914 trlgG= -0.147150 logG= -0.029266 TDE= -0.171079 logGD-logG0= -0.001710 tlogG= -0.007308 logG= -0.009018 Density= 0.035863 ETOT(band)= -0.038529 trlgG= -0.047881 logG= -0.009018 TDE= -0.056610 logGD-logG0= -0.005049 tlogG= -0.021888 logG= -0.026937 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108371 ETOT(band)= -0.115114 trlgG= -0.143432 logG= -0.026937 TDE= -0.170122 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023696 logG= -0.029039 Density= 0.107286 ETOT(band)= -0.116859 trlgG= -0.146752 logG= -0.029039 TDE= -0.170804 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005352 tlogG= -0.024095 logG= -0.029447 Density= 0.107934 ETOT(band)= -0.116841 trlgG= -0.147493 logG= -0.029447 TDE= -0.171458 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005385 tlogG= -0.024141 logG= -0.029525 Density= 0.107859 ETOT(band)= -0.116927 trlgG= -0.147617 logG= -0.029525 TDE= -0.171465 logGD-logG0= -0.005366 tlogG= -0.023918 logG= -0.029284 Density= 0.107800 ETOT(band)= -0.116797 trlgG= -0.147212 logG= -0.029284 TDE= -0.171273 logGD-logG0= -0.005159 tlogG= -0.023227 logG= -0.028385 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004763 tlogG= -0.023002 logG= -0.027765 Density= 0.106935 ETOT(band)= -0.116341 trlgG= -0.145111 logG= -0.027765 TDE= -0.170263 Density= 0.108240 ETOT(band)= -0.116071 trlgG= -0.145788 logG= -0.028385 TDE= -0.170965 logGD-logG0= -0.005166 tlogG= -0.022890 logG= -0.028056 Density= 0.107670 ETOT(band)= -0.116157 trlgG= -0.145252 logG= -0.028056 TDE= -0.170476 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.022421 logG= -0.027491 Density= 0.107690 ETOT(band)= -0.115824 trlgG= -0.144357 logG= -0.027491 TDE= -0.170157 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.023683 logG= -0.028413 Density= 0.106661 ETOT(band)= -0.116807 trlgG= -0.146284 logG= -0.028413 TDE= -0.170652 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.022746 logG= -0.027838 Density= 0.108295 ETOT(band)= -0.115741 trlgG= -0.144922 logG= -0.027838 TDE= -0.170674 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023697 logG= -0.028462 Density= 0.107035 ETOT(band)= -0.116694 trlgG= -0.146394 logG= -0.028462 TDE= -0.170898 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023910 logG= -0.028862 Density= 0.106817 ETOT(band)= -0.116964 trlgG= -0.146813 logG= -0.028862 TDE= -0.170810 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004937 tlogG= -0.024080 logG= -0.029017 logGD-logG0= -0.005050 tlogG= -0.024105 logG= -0.029155 Density= 0.107113 ETOT(band)= -0.116949 trlgG= -0.147072 logG= -0.029017 TDE= -0.171060 Density= 0.107432 ETOT(band)= -0.116891 trlgG= -0.147052 logG= -0.029155 TDE= -0.171060 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005356 tlogG= -0.023212 logG= -0.028569 Density= 0.107734 ETOT(band)= -0.116407 trlgG= -0.146062 logG= -0.028569 TDE= -0.170806 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022863 logG= -0.027662 logGD-logG0= -0.005327 tlogG= -0.024066 logG= -0.029393 Density= 0.107355 ETOT(band)= -0.116093 trlgG= -0.144965 logG= -0.027662 TDE= -0.170429 Density= 0.107993 ETOT(band)= -0.116774 trlgG= -0.147406 logG= -0.029393 TDE= -0.171453 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023588 logG= -0.028963 Density= 0.107849 ETOT(band)= -0.116570 trlgG= -0.146693 logG= -0.028963 TDE= -0.171099 logGD-logG0= -0.009897 tlogG= -0.048267 logG= -0.058164 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214512 ETOT(band)= -0.233859 trlgG= -0.294224 logG= -0.058164 TDE= -0.342212 logGD-logG0= -0.009211 tlogG= -0.047658 logG= -0.056868 logGD-logG0= -0.009587 tlogG= -0.045784 logG= -0.055371 Density= 0.213055 ETOT(band)= -0.233733 trlgG= -0.292708 logG= -0.056868 TDE= -0.341270 Density= 0.215130 ETOT(band)= -0.232025 trlgG= -0.289838 logG= -0.055371 TDE= -0.340924 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.047922 logG= -0.057964 Density= 0.214085 ETOT(band)= -0.233892 trlgG= -0.293906 logG= -0.057964 TDE= -0.341881 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002433 tlogG= -0.010433 logG= -0.012866 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.047773 logG= -0.058391 Density= 0.214864 ETOT(band)= -0.233789 trlgG= -0.294051 logG= -0.058391 TDE= -0.341985 logGD-logG0= -0.009763 tlogG= -0.047180 logG= -0.056943 Density= 0.213888 ETOT(band)= -0.233445 trlgG= -0.292639 logG= -0.056943 TDE= -0.341538 Density= 0.054399 ETOT(band)= -0.057010 trlgG= -0.070661 logG= -0.012866 TDE= -0.084714 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009911 tlogG= -0.047188 logG= -0.057099 logGD-logG0= -0.009636 tlogG= -0.047963 logG= -0.057599 Density= 0.213397 ETOT(band)= -0.233947 trlgG= -0.293347 logG= -0.057599 TDE= -0.341348 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010573 tlogG= -0.048109 logG= -0.058682 Density= 0.213899 ETOT(band)= -0.233489 trlgG= -0.292431 logG= -0.057099 TDE= -0.341180 Density= 0.215174 ETOT(band)= -0.233846 trlgG= -0.294565 logG= -0.058682 TDE= -0.342362 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009536 tlogG= -0.047470 logG= -0.057006 Density= 0.214426 ETOT(band)= -0.233282 trlgG= -0.292777 logG= -0.057006 TDE= -0.341879 logGD-logG0= -0.010481 tlogG= -0.047813 logG= -0.058295 Density= 0.214765 ETOT(band)= -0.233781 trlgG= -0.293880 logG= -0.058295 TDE= -0.341861 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001645 tlogG= -0.006996 logG= -0.008641 Density= 0.036211 ETOT(band)= -0.038084 trlgG= -0.047225 logG= -0.008641 TDE= -0.056504 logGD-logG0= -0.010420 tlogG= -0.048009 logG= -0.058429 logGD-logG0= -0.010653 tlogG= -0.048044 logG= -0.058697 Density= 0.215210 ETOT(band)= -0.233837 trlgG= -0.294593 logG= -0.058697 TDE= -0.342392 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004884 tlogG= -0.021003 logG= -0.025887 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108753 ETOT(band)= -0.114165 trlgG= -0.141601 logG= -0.025887 TDE= -0.169530 Density= 0.215177 ETOT(band)= -0.233701 trlgG= -0.294149 logG= -0.058429 TDE= -0.342201 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.047690 logG= -0.057965 Density= 0.214066 ETOT(band)= -0.233879 trlgG= -0.293658 logG= -0.057965 TDE= -0.341624 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010165 tlogG= -0.048054 logG= -0.058219 Density= 0.214642 ETOT(band)= -0.233808 trlgG= -0.293977 logG= -0.058219 TDE= -0.341972 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010726 tlogG= -0.047545 logG= -0.058271 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215797 ETOT(band)= -0.233302 trlgG= -0.293949 logG= -0.058271 TDE= -0.342465 logGD-logG0= -0.010652 tlogG= -0.047958 logG= -0.058610 Density= 0.215990 ETOT(band)= -0.233420 trlgG= -0.294513 logG= -0.058610 TDE= -0.342785 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010498 tlogG= -0.047344 logG= -0.057842 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214376 ETOT(band)= -0.233676 trlgG= -0.293134 logG= -0.057842 TDE= -0.341376 logGD-logG0= -0.010765 tlogG= -0.048177 logG= -0.058942 Density= 0.215523 ETOT(band)= -0.233866 trlgG= -0.295034 logG= -0.058942 TDE= -0.342743 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047455 logG= -0.058129 logGD-logG0= -0.010279 tlogG= -0.046442 logG= -0.056721 Density= 0.215323 ETOT(band)= -0.232667 trlgG= -0.291459 logG= -0.056721 TDE= -0.341290 logGD-logG0= -0.010706 tlogG= -0.047906 logG= -0.058612 Density= 0.215567 ETOT(band)= -0.233339 trlgG= -0.293704 logG= -0.058129 TDE= -0.342249 Density= 0.215863 ETOT(band)= -0.233491 trlgG= -0.294513 logG= -0.058612 TDE= -0.342720 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002493 tlogG= -0.010847 logG= -0.013340 Density= 0.054088 ETOT(band)= -0.057523 trlgG= -0.071503 logG= -0.013340 TDE= -0.084928 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005128 tlogG= -0.021830 logG= -0.026958 logGD-logG0= -0.009891 tlogG= -0.047249 logG= -0.057139 Density= 0.107843 ETOT(band)= -0.115397 trlgG= -0.143485 logG= -0.026958 TDE= -0.169893 Density= 0.214590 ETOT(band)= -0.233245 trlgG= -0.292553 logG= -0.057139 TDE= -0.341604 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010716 tlogG= -0.046913 logG= -0.057628 Density= 0.215531 ETOT(band)= -0.233061 trlgG= -0.292904 logG= -0.057628 TDE= -0.341931 logGD-logG0= -0.010191 tlogG= -0.047181 logG= -0.057372 Density= 0.215256 ETOT(band)= -0.233068 trlgG= -0.292474 logG= -0.057372 TDE= -0.341621 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.021578 logG= -0.026542 Density= 0.108560 ETOT(band)= -0.114750 trlgG= -0.142755 logG= -0.026542 TDE= -0.169934 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010133 tlogG= -0.043416 logG= -0.053549 Density= 0.216378 ETOT(band)= -0.230207 trlgG= -0.286338 logG= -0.053549 TDE= -0.339863 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.021707 logG= -0.026776 Density= 0.107984 ETOT(band)= -0.115206 trlgG= -0.143178 logG= -0.026776 TDE= -0.169838 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001287 tlogG= -0.005858 logG= -0.007146 Density= 0.080687 ETOT(band)= -0.087509 trlgG= -0.110107 logG= -0.007146 TDE= -0.042777 logGD-logG0= -0.001291 tlogG= -0.005986 logG= -0.007277 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081094 ETOT(band)= -0.087453 trlgG= -0.110360 logG= -0.007277 TDE= -0.042861 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023965 logG= -0.029206 logGD-logG0= -0.005260 tlogG= -0.023771 logG= -0.029031 Density= 0.216368 ETOT(band)= -0.232778 trlgG= -0.293264 logG= -0.029031 TDE= -0.171285 Density= 0.216476 ETOT(band)= -0.232978 trlgG= -0.293970 logG= -0.029206 TDE= -0.171426 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001449 tlogG= -0.007969 logG= -0.009418 Density= 0.070912 ETOT(band)= -0.077847 trlgG= -0.097392 logG= -0.009418 TDE= -0.056915 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009543 tlogG= -0.046740 logG= -0.056283 logGD-logG0= -0.005424 tlogG= -0.023905 logG= -0.029330 Density= 0.428138 ETOT(band)= -0.465549 trlgG= -0.581500 logG= -0.056283 TDE= -0.340937 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215742 ETOT(band)= -0.233492 trlgG= -0.294394 logG= -0.029330 TDE= -0.171289 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023598 logG= -0.028135 Density= 0.212753 ETOT(band)= -0.233687 trlgG= -0.292557 logG= -0.028135 TDE= -0.170556 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023904 logG= -0.028552 Density= 0.213409 ETOT(band)= -0.233563 trlgG= -0.292323 logG= -0.028552 TDE= -0.170646 logGD-logG0= -0.010034 tlogG= -0.046424 logG= -0.056458 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429759 ETOT(band)= -0.464999 trlgG= -0.581199 logG= -0.056458 TDE= -0.341054 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001589 tlogG= -0.007592 logG= -0.009181 Density= 0.071537 ETOT(band)= -0.077253 trlgG= -0.096100 logG= -0.009181 TDE= -0.056691 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005751 logG= -0.007023 Density= 0.080676 ETOT(band)= -0.087293 trlgG= -0.109552 logG= -0.007023 TDE= -0.042712 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004346 tlogG= -0.024142 logG= -0.028489 logGD-logG0= -0.001292 tlogG= -0.005941 logG= -0.007234 Density= 0.212308 ETOT(band)= -0.234062 trlgG= -0.293500 logG= -0.028489 TDE= -0.170838 Density= 0.080868 ETOT(band)= -0.087547 trlgG= -0.110303 logG= -0.007234 TDE= -0.042831 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005175 logG= -0.006376 Density= 0.062574 ETOT(band)= -0.067462 trlgG= -0.084161 logG= -0.006376 TDE= -0.042326 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010074 tlogG= -0.044650 logG= -0.054724 Density= 0.324439 ETOT(band)= -0.346281 trlgG= -0.431737 logG= -0.054724 TDE= -0.340502 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004481 tlogG= -0.023751 logG= -0.028232 Density= 0.213218 ETOT(band)= -0.233285 trlgG= -0.291587 logG= -0.028232 TDE= -0.170641 logGD-logG0= -0.005284 tlogG= -0.024010 logG= -0.029293 Density= 0.215782 ETOT(band)= -0.233590 trlgG= -0.294665 logG= -0.029293 TDE= -0.171435 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023499 logG= -0.028801 Density= 0.215319 ETOT(band)= -0.233054 trlgG= -0.292749 logG= -0.028801 TDE= -0.171026 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005623 logG= -0.006874 Density= 0.080877 ETOT(band)= -0.086867 trlgG= -0.108551 logG= -0.006874 TDE= -0.042636 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001601 tlogG= -0.006879 logG= -0.008480 Density= 0.040863 ETOT(band)= -0.042628 trlgG= -0.052775 logG= -0.008480 TDE= -0.056418 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005016 tlogG= -0.022920 logG= -0.027936 Density= 0.214913 ETOT(band)= -0.232120 trlgG= -0.289526 logG= -0.027936 TDE= -0.170293 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.023808 logG= -0.029125 Density= 0.215435 ETOT(band)= -0.233491 trlgG= -0.294014 logG= -0.029125 TDE= -0.171282 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023859 logG= -0.028985 Density= 0.215595 ETOT(band)= -0.233489 trlgG= -0.294112 logG= -0.028985 TDE= -0.170969 logGD-logG0= -0.005247 tlogG= -0.024008 logG= -0.029256 Density= 0.216443 ETOT(band)= -0.233081 trlgG= -0.294201 logG= -0.029256 TDE= -0.171453 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004823 tlogG= -0.024017 logG= -0.028841 Density= 0.321733 ETOT(band)= -0.350682 trlgG= -0.441092 logG= -0.028841 TDE= -0.171086 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.024175 logG= -0.029269 Density= 0.322597 ETOT(band)= -0.350806 trlgG= -0.441769 logG= -0.029269 TDE= -0.171093 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.022453 logG= -0.027625 Density= 0.216469 ETOT(band)= -0.231024 trlgG= -0.288458 logG= -0.027625 TDE= -0.170428 logGD-logG0= -0.005376 tlogG= -0.024129 logG= -0.029505 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215814 ETOT(band)= -0.233745 trlgG= -0.295080 logG= -0.029505 TDE= -0.171465 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023968 logG= -0.029097 logGD-logG0= -0.004968 tlogG= -0.022486 logG= -0.027454 Density= 0.215138 ETOT(band)= -0.231387 trlgG= -0.287885 logG= -0.027454 TDE= -0.170041 logGD-logG0= -0.010278 tlogG= -0.045661 logG= -0.055939 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214452 ETOT(band)= -0.233811 trlgG= -0.293741 logG= -0.029097 TDE= -0.170923 Density= 0.324196 ETOT(band)= -0.347549 trlgG= -0.434742 logG= -0.055939 TDE= -0.341177 logGD-logG0= -0.005069 tlogG= -0.024169 logG= -0.029238 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214848 ETOT(band)= -0.233888 trlgG= -0.294362 logG= -0.029238 TDE= -0.171097 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010568 tlogG= -0.047254 logG= -0.057822 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324273 ETOT(band)= -0.349154 trlgG= -0.439447 logG= -0.057822 TDE= -0.342354 logGD-logG0= -0.004960 tlogG= -0.023900 logG= -0.028860 Density= 0.213908 ETOT(band)= -0.233718 trlgG= -0.292826 logG= -0.028860 TDE= -0.170651 logGD-logG0= -0.009786 tlogG= -0.046630 logG= -0.056417 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004623 tlogG= -0.023986 logG= -0.028609 Density= 0.322869 ETOT(band)= -0.348601 trlgG= -0.436169 logG= -0.056417 TDE= -0.341335 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212938 ETOT(band)= -0.233967 trlgG= -0.293312 logG= -0.028609 TDE= -0.170695 logGD-logG0= -0.010796 tlogG= -0.048066 logG= -0.058861 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323395 ETOT(band)= -0.350580 trlgG= -0.442120 logG= -0.058861 TDE= -0.342733 logGD-logG0= -0.004736 tlogG= -0.023379 logG= -0.028115 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047804 logG= -0.058328 Density= 0.324485 ETOT(band)= -0.349525 trlgG= -0.440798 logG= -0.058328 TDE= -0.342746 logGD-logG0= -0.005265 tlogG= -0.023425 logG= -0.028690 Density= 0.216292 ETOT(band)= -0.232397 trlgG= -0.292056 logG= -0.028690 TDE= -0.171047 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.022979 logG= -0.028215 Density= 0.216322 ETOT(band)= -0.231822 trlgG= -0.290441 logG= -0.028215 TDE= -0.170761 logGD-logG0= -0.005298 tlogG= -0.024099 logG= -0.029397 Density= 0.321807 ETOT(band)= -0.349634 trlgG= -0.438515 logG= -0.028115 TDE= -0.170761 Density= 0.323211 ETOT(band)= -0.350786 trlgG= -0.442420 logG= -0.029397 TDE= -0.171278 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.046436 logG= -0.056997 Density= 0.324143 ETOT(band)= -0.348494 trlgG= -0.437360 logG= -0.056997 TDE= -0.341799 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005311 logG= -0.006530 Density= 0.081591 ETOT(band)= -0.085594 trlgG= -0.106163 logG= -0.006530 TDE= -0.042428 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005080 tlogG= -0.023259 logG= -0.028340 Density= 0.321872 ETOT(band)= -0.350142 trlgG= -0.439364 logG= -0.028340 TDE= -0.170713 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004834 tlogG= -0.023255 logG= -0.028089 Density= 0.213624 ETOT(band)= -0.233319 trlgG= -0.292046 logG= -0.028089 TDE= -0.170604 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.023846 logG= -0.028732 Density= 0.213694 ETOT(band)= -0.233853 trlgG= -0.293564 logG= -0.028732 TDE= -0.170907 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004791 tlogG= -0.024017 logG= -0.028808 Density= 0.214235 ETOT(band)= -0.233798 trlgG= -0.293961 logG= -0.028808 TDE= -0.171090 logGD-logG0= -0.005409 tlogG= -0.023965 logG= -0.029374 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323803 ETOT(band)= -0.350260 trlgG= -0.441873 logG= -0.029374 TDE= -0.171338 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004704 tlogG= -0.023382 logG= -0.028086 Density= 0.214301 ETOT(band)= -0.233086 trlgG= -0.292168 logG= -0.028086 TDE= -0.170769 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023212 logG= -0.028427 Density= 0.214980 ETOT(band)= -0.232676 trlgG= -0.291052 logG= -0.028427 TDE= -0.170475 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009742 tlogG= -0.047861 logG= -0.057603 logGD-logG0= -0.005472 tlogG= -0.023692 logG= -0.029163 logGD-logG0= -0.010245 tlogG= -0.048172 logG= -0.058418 Density= 0.215508 ETOT(band)= -0.233342 trlgG= -0.293693 logG= -0.029163 TDE= -0.171112 logGD-logG0= -0.005482 tlogG= -0.023372 logG= -0.028854 Density= 0.428269 ETOT(band)= -0.467578 trlgG= -0.587506 logG= -0.057603 TDE= -0.341985 Density= 0.215213 ETOT(band)= -0.233079 trlgG= -0.292549 logG= -0.028854 TDE= -0.170818 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429517 ETOT(band)= -0.467707 trlgG= -0.588282 logG= -0.058418 TDE= -0.342034 logGD-logG0= -0.001712 tlogG= -0.007121 logG= -0.008833 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072262 ETOT(band)= -0.076394 trlgG= -0.094796 logG= -0.008833 TDE= -0.056577 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009049 tlogG= -0.048121 logG= -0.057170 Density= 0.425797 ETOT(band)= -0.467732 trlgG= -0.586106 logG= -0.057170 TDE= -0.341503 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010413 tlogG= -0.047982 logG= -0.058395 Density= 0.429422 ETOT(band)= -0.467667 trlgG= -0.587917 logG= -0.058395 TDE= -0.341865 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.021315 logG= -0.026280 Density= 0.162716 ETOT(band)= -0.172796 trlgG= -0.215815 logG= -0.026280 TDE= -0.169746 logGD-logG0= -0.005002 tlogG= -0.022303 logG= -0.027305 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010350 tlogG= -0.047696 logG= -0.058046 logGD-logG0= -0.010378 tlogG= -0.048248 logG= -0.058626 Density= 0.428521 ETOT(band)= -0.467566 trlgG= -0.586837 logG= -0.058046 TDE= -0.341626 Density= 0.430244 ETOT(band)= -0.467720 trlgG= -0.589045 logG= -0.058626 TDE= -0.342236 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214382 ETOT(band)= -0.232155 trlgG= -0.289274 logG= -0.027305 TDE= -0.170028 logGD-logG0= -0.010874 tlogG= -0.047708 logG= -0.058582 logGD-logG0= -0.009606 tlogG= -0.046630 logG= -0.056236 Density= 0.428335 ETOT(band)= -0.466275 trlgG= -0.584111 logG= -0.056236 TDE= -0.341356 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005047 tlogG= -0.021364 logG= -0.026411 Density= 0.431288 ETOT(band)= -0.466932 trlgG= -0.588382 logG= -0.058582 TDE= -0.342487 Density= 0.217113 ETOT(band)= -0.228926 trlgG= -0.284149 logG= -0.026411 TDE= -0.169758 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010587 tlogG= -0.048100 logG= -0.058686 Density= 0.430350 ETOT(band)= -0.467551 trlgG= -0.588718 logG= -0.058686 TDE= -0.342361 logGD-logG0= -0.009918 tlogG= -0.047878 logG= -0.057796 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429355 ETOT(band)= -0.467368 trlgG= -0.587497 logG= -0.057796 TDE= -0.341976 logGD-logG0= -0.010754 tlogG= -0.047760 logG= -0.058515 Density= 0.430951 ETOT(band)= -0.466984 trlgG= -0.588016 logG= -0.058515 TDE= -0.342380 logGD-logG0= -0.009737 tlogG= -0.047683 logG= -0.057420 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426920 ETOT(band)= -0.467774 trlgG= -0.586619 logG= -0.057420 TDE= -0.341514 logGD-logG0= -0.009691 tlogG= -0.047802 logG= -0.057493 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427421 ETOT(band)= -0.467330 trlgG= -0.585480 logG= -0.057493 TDE= -0.341217 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.048033 logG= -0.058832 Density= 0.431525 ETOT(band)= -0.467216 trlgG= -0.589376 logG= -0.058832 TDE= -0.342752 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.046958 logG= -0.057374 Density= 0.430098 ETOT(band)= -0.465921 trlgG= -0.583883 logG= -0.057374 TDE= -0.341332 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010098 tlogG= -0.047582 logG= -0.057680 Density= 0.428836 ETOT(band)= -0.466913 trlgG= -0.585886 logG= -0.057680 TDE= -0.341672 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010340 tlogG= -0.047598 logG= -0.057938 Density= 0.430221 ETOT(band)= -0.466570 trlgG= -0.585813 logG= -0.057938 TDE= -0.341776 logGD-logG0= -0.010814 tlogG= -0.047298 logG= -0.058112 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430686 ETOT(band)= -0.466556 trlgG= -0.586543 logG= -0.058112 TDE= -0.341996 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.022340 logG= -0.027230 Density= 0.323038 ETOT(band)= -0.347570 trlgG= -0.433780 logG= -0.027230 TDE= -0.170110 logGD-logG0= -0.005136 tlogG= -0.021892 logG= -0.027028 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216724 ETOT(band)= -0.230029 trlgG= -0.286347 logG= -0.027028 TDE= -0.170089 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001239 tlogG= -0.005472 logG= -0.006710 Density= 0.081237 ETOT(band)= -0.086258 trlgG= -0.107318 logG= -0.006710 TDE= -0.042539 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004849 tlogG= -0.022339 logG= -0.027188 Density= 0.215141 ETOT(band)= -0.231676 trlgG= -0.288931 logG= -0.027188 TDE= -0.170115 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005006 tlogG= -0.021219 logG= -0.026226 Density= 0.216446 ETOT(band)= -0.229778 trlgG= -0.285396 logG= -0.026226 TDE= -0.169665 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009925 tlogG= -0.044649 logG= -0.054574 Density= 0.431819 ETOT(band)= -0.461548 trlgG= -0.574440 logG= -0.054574 TDE= -0.340139 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.434429183481 eV TrLogG= -407.118266783202 eV Ratio to renormalize= 0.999527863110 rho-rho_expected= 0.010391917990 nargs= 1 argi=dmft2.def 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964448336427643 0.940012617172664 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002351 tlogG= -0.011899 logG= -0.014250 Density= 0.053597 ETOT(band)= -0.058351 trlgG= -0.073252 logG= -0.014250 TDE= -0.085525 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.022204 logG= -0.027210 Density= 0.108421 ETOT(band)= -0.115341 trlgG= -0.143941 logG= -0.027210 TDE= -0.170384 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023249 logG= -0.028398 Density= 0.108256 ETOT(band)= -0.116113 trlgG= -0.145850 logG= -0.028398 TDE= -0.171022 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.023675 logG= -0.028722 logGD-logG0= -0.005162 tlogG= -0.022908 logG= -0.028070 Density= 0.107684 ETOT(band)= -0.116201 trlgG= -0.145316 logG= -0.028070 TDE= -0.170534 Density= 0.107051 ETOT(band)= -0.116828 trlgG= -0.146266 logG= -0.028722 TDE= -0.170517 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004759 tlogG= -0.023717 logG= -0.028476 logGD-logG0= -0.004729 tlogG= -0.023699 logG= -0.028428 Density= 0.106673 ETOT(band)= -0.116853 trlgG= -0.146350 logG= -0.028428 TDE= -0.170709 Density= 0.107048 ETOT(band)= -0.116739 trlgG= -0.146459 logG= -0.028476 TDE= -0.170955 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.022883 logG= -0.027676 Density= 0.107368 ETOT(band)= -0.116138 trlgG= -0.145029 logG= -0.027676 TDE= -0.170485 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001503 tlogG= -0.007821 logG= -0.009323 Density= 0.035518 ETOT(band)= -0.038889 trlgG= -0.048597 logG= -0.009323 TDE= -0.056849 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001052 Density= 0.004545 ETOT(band)= -0.004730 trlgG= -0.005852 logG= -0.001052 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002628 tlogG= -0.012048 logG= -0.014676 Density= 0.053796 ETOT(band)= -0.058485 trlgG= -0.073672 logG= -0.014676 TDE= -0.085616 logGD-logG0= -0.002446 tlogG= -0.012097 logG= -0.014543 Density= 0.053619 ETOT(band)= -0.058495 trlgG= -0.073614 logG= -0.014543 TDE= -0.085605 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002358 tlogG= -0.011464 logG= -0.013822 logGD-logG0= -0.004674 tlogG= -0.023234 logG= -0.027908 Density= 0.106812 ETOT(band)= -0.116516 trlgG= -0.145439 logG= -0.027908 TDE= -0.170387 Density= 0.053771 ETOT(band)= -0.058021 trlgG= -0.072489 logG= -0.013822 TDE= -0.085276 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.022440 logG= -0.027504 Density= 0.107704 ETOT(band)= -0.115867 trlgG= -0.144421 logG= -0.027504 TDE= -0.170213 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.022492 logG= -0.027579 Density= 0.108267 ETOT(band)= -0.115646 trlgG= -0.144547 logG= -0.027579 TDE= -0.170544 logGD-logG0= -0.002586 tlogG= -0.012000 logG= -0.014586 logGD-logG0= -0.005204 tlogG= -0.023796 logG= -0.029000 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054167 ETOT(band)= -0.058252 trlgG= -0.073540 logG= -0.014586 TDE= -0.085758 logGD-logG0= -0.005191 tlogG= -0.023982 logG= -0.029174 Density= 0.108289 ETOT(band)= -0.116527 trlgG= -0.147083 logG= -0.029174 TDE= -0.171496 Density= 0.108238 ETOT(band)= -0.116452 trlgG= -0.146804 logG= -0.029000 TDE= -0.171366 logGD-logG0= -0.001421 tlogG= -0.008054 logG= -0.009475 Density= 0.035340 ETOT(band)= -0.039039 trlgG= -0.048960 logG= -0.009475 TDE= -0.056973 logGD-logG0= -0.005199 tlogG= -0.023463 logG= -0.028662 logGD-logG0= -0.004370 tlogG= -0.024080 logG= -0.028450 Density= 0.106196 ETOT(band)= -0.117053 trlgG= -0.146754 logG= -0.028450 TDE= -0.170855 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108192 ETOT(band)= -0.116289 trlgG= -0.146268 logG= -0.028662 TDE= -0.171145 logGD-logG0= -0.005330 tlogG= -0.024104 logG= -0.029434 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107708 ETOT(band)= -0.116973 trlgG= -0.147490 logG= -0.029434 TDE= -0.171355 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023016 logG= -0.028172 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108198 ETOT(band)= -0.116019 trlgG= -0.145494 logG= -0.028172 TDE= -0.170863 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004785 tlogG= -0.023530 logG= -0.028315 Density= 0.106848 ETOT(band)= -0.116708 trlgG= -0.145925 logG= -0.028315 TDE= -0.170484 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004594 tlogG= -0.024076 logG= -0.028669 logGD-logG0= -0.004397 tlogG= -0.024003 logG= -0.028401 Density= 0.106465 ETOT(band)= -0.117045 trlgG= -0.146767 logG= -0.028669 TDE= -0.170782 Density= 0.106248 ETOT(band)= -0.117010 trlgG= -0.146641 logG= -0.028401 TDE= -0.170817 logGD-logG0= -0.005362 tlogG= -0.023936 logG= -0.029298 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107816 ETOT(band)= -0.116840 trlgG= -0.147276 logG= -0.029298 TDE= -0.171331 logGD-logG0= -0.002655 tlogG= -0.012004 logG= -0.014658 Density= 0.054014 ETOT(band)= -0.058371 trlgG= -0.073658 logG= -0.014658 TDE= -0.085729 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023638 logG= -0.028819 Density= 0.108264 ETOT(band)= -0.116337 trlgG= -0.146513 logG= -0.028819 TDE= -0.171269 logGD-logG0= -0.005374 tlogG= -0.024164 logG= -0.029539 Density= 0.107875 ETOT(band)= -0.116970 trlgG= -0.147681 logG= -0.029539 TDE= -0.171524 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.023715 logG= -0.029053 logGD-logG0= -0.005179 tlogG= -0.023904 logG= -0.029082 logGD-logG0= -0.005083 tlogG= -0.022768 logG= -0.027851 Density= 0.108311 ETOT(band)= -0.115783 trlgG= -0.144984 logG= -0.027851 TDE= -0.170730 Density= 0.108309 ETOT(band)= -0.116463 trlgG= -0.146934 logG= -0.029082 TDE= -0.171449 logGD-logG0= -0.004881 tlogG= -0.023720 logG= -0.028601 Density= 0.107301 ETOT(band)= -0.116902 trlgG= -0.146818 logG= -0.029053 TDE= -0.170863 logGD-logG0= -0.004916 tlogG= -0.022882 logG= -0.027798 Density= 0.107815 ETOT(band)= -0.115997 trlgG= -0.144907 logG= -0.027798 TDE= -0.170462 logGD-logG0= -0.004761 tlogG= -0.023019 logG= -0.027779 Density= 0.106947 ETOT(band)= -0.116386 trlgG= -0.145176 logG= -0.027779 TDE= -0.170320 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107447 ETOT(band)= -0.116624 trlgG= -0.146373 logG= -0.028601 TDE= -0.170941 logGD-logG0= -0.005342 tlogG= -0.024118 logG= -0.029460 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107951 ETOT(band)= -0.116883 trlgG= -0.147557 logG= -0.029460 TDE= -0.171516 logGD-logG0= -0.005281 tlogG= -0.023999 logG= -0.029280 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107512 ETOT(band)= -0.116957 trlgG= -0.147215 logG= -0.029280 TDE= -0.171137 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001642 tlogG= -0.007003 logG= -0.008645 logGD-logG0= -0.004932 tlogG= -0.024100 logG= -0.029032 Density= 0.036216 ETOT(band)= -0.038098 trlgG= -0.047245 logG= -0.008645 TDE= -0.056522 Density= 0.107127 ETOT(band)= -0.116993 trlgG= -0.147136 logG= -0.029032 TDE= -0.171116 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005045 tlogG= -0.024124 logG= -0.029169 Density= 0.107447 ETOT(band)= -0.116935 trlgG= -0.147114 logG= -0.029169 TDE= -0.171115 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023230 logG= -0.028582 logGD-logG0= -0.004952 tlogG= -0.023925 logG= -0.028877 Density= 0.106830 ETOT(band)= -0.117009 trlgG= -0.146878 logG= -0.028877 TDE= -0.170867 Density= 0.107750 ETOT(band)= -0.116450 trlgG= -0.146126 logG= -0.028582 TDE= -0.170864 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009886 tlogG= -0.048306 logG= -0.058192 logGD-logG0= -0.005317 tlogG= -0.024090 logG= -0.029407 Density= 0.214541 ETOT(band)= -0.233948 trlgG= -0.294351 logG= -0.058192 TDE= -0.342324 logGD-logG0= -0.009575 tlogG= -0.045824 logG= -0.055399 Density= 0.108010 ETOT(band)= -0.116816 trlgG= -0.147469 logG= -0.029407 TDE= -0.171511 Density= 0.215157 ETOT(band)= -0.232113 trlgG= -0.289964 logG= -0.055399 TDE= -0.341035 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.023612 logG= -0.028976 Density= 0.107865 ETOT(band)= -0.116613 trlgG= -0.146756 logG= -0.028976 TDE= -0.171157 logGD-logG0= -0.009208 tlogG= -0.047691 logG= -0.056898 Density= 0.213079 ETOT(band)= -0.233826 trlgG= -0.292836 logG= -0.056898 TDE= -0.341380 logGD-logG0= -0.009751 tlogG= -0.047221 logG= -0.056972 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213914 ETOT(band)= -0.233535 trlgG= -0.292768 logG= -0.056972 TDE= -0.341651 logGD-logG0= -0.010031 tlogG= -0.047962 logG= -0.057993 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214113 ETOT(band)= -0.233982 trlgG= -0.294034 logG= -0.057993 TDE= -0.341994 logGD-logG0= -0.010608 tlogG= -0.047811 logG= -0.058419 logGD-logG0= -0.009635 tlogG= -0.047994 logG= -0.057629 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009853 tlogG= -0.045653 logG= -0.055506 Density= 0.214508 ETOT(band)= -0.232456 trlgG= -0.290135 logG= -0.055506 TDE= -0.340778 Density= 0.214895 ETOT(band)= -0.233876 trlgG= -0.294181 logG= -0.058419 TDE= -0.342103 logGD-logG0= -0.010411 tlogG= -0.048046 logG= -0.058457 Density= 0.213423 ETOT(band)= -0.234038 trlgG= -0.293478 logG= -0.057629 TDE= -0.341462 Density= 0.215208 ETOT(band)= -0.233787 trlgG= -0.294279 logG= -0.058457 TDE= -0.342318 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010563 tlogG= -0.048146 logG= -0.058710 logGD-logG0= -0.002490 tlogG= -0.010857 logG= -0.013347 Density= 0.054095 ETOT(band)= -0.057545 trlgG= -0.071534 logG= -0.013347 TDE= -0.084956 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215205 ETOT(band)= -0.233932 trlgG= -0.294695 logG= -0.058710 TDE= -0.342480 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009525 tlogG= -0.047510 logG= -0.057035 logGD-logG0= -0.005328 tlogG= -0.023902 logG= -0.029230 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214453 ETOT(band)= -0.233371 trlgG= -0.292904 logG= -0.057035 TDE= -0.341991 Density= 0.107979 ETOT(band)= -0.116710 trlgG= -0.147173 logG= -0.029230 TDE= -0.171376 logGD-logG0= -0.009910 tlogG= -0.047218 logG= -0.057128 logGD-logG0= -0.010472 tlogG= -0.047851 logG= -0.058323 Density= 0.214795 ETOT(band)= -0.233868 trlgG= -0.294011 logG= -0.058323 TDE= -0.341979 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213925 ETOT(band)= -0.233579 trlgG= -0.292560 logG= -0.057128 TDE= -0.341293 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010155 tlogG= -0.048093 logG= -0.058248 logGD-logG0= -0.010644 tlogG= -0.048081 logG= -0.058725 Density= 0.215242 ETOT(band)= -0.233924 trlgG= -0.294722 logG= -0.058725 TDE= -0.342510 logGD-logG0= -0.010269 tlogG= -0.047724 logG= -0.057994 logGD-logG0= -0.009959 tlogG= -0.045714 logG= -0.055673 Density= 0.214671 ETOT(band)= -0.233896 trlgG= -0.294102 logG= -0.058248 TDE= -0.342084 Density= 0.215288 ETOT(band)= -0.232190 trlgG= -0.289957 logG= -0.055673 TDE= -0.340820 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214094 ETOT(band)= -0.233969 trlgG= -0.293786 logG= -0.057994 TDE= -0.341737 logGD-logG0= -0.010705 tlogG= -0.047593 logG= -0.058298 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215829 ETOT(band)= -0.233386 trlgG= -0.294075 logG= -0.058298 TDE= -0.342581 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010632 tlogG= -0.048005 logG= -0.058637 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216023 ETOT(band)= -0.233505 trlgG= -0.294639 logG= -0.058637 TDE= -0.342901 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010496 tlogG= -0.047375 logG= -0.057871 Density= 0.214404 ETOT(band)= -0.233765 trlgG= -0.293263 logG= -0.057871 TDE= -0.341490 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010665 tlogG= -0.047490 logG= -0.058156 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.021600 logG= -0.026554 Density= 0.108575 ETOT(band)= -0.114792 trlgG= -0.142815 logG= -0.026554 TDE= -0.169989 Density= 0.215599 ETOT(band)= -0.233424 trlgG= -0.293832 logG= -0.058156 TDE= -0.342366 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010686 tlogG= -0.047954 logG= -0.058639 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215896 ETOT(band)= -0.233575 trlgG= -0.294639 logG= -0.058639 TDE= -0.342836 logGD-logG0= -0.010270 tlogG= -0.046479 logG= -0.056749 Density= 0.215352 ETOT(band)= -0.232753 trlgG= -0.291587 logG= -0.056749 TDE= -0.341405 logGD-logG0= -0.002429 tlogG= -0.010444 logG= -0.012873 logGD-logG0= -0.010756 tlogG= -0.048213 logG= -0.058970 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001708 tlogG= -0.007314 logG= -0.009022 Density= 0.035867 ETOT(band)= -0.038543 trlgG= -0.047902 logG= -0.009022 TDE= -0.056629 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215555 ETOT(band)= -0.233952 trlgG= -0.295162 logG= -0.058970 TDE= -0.342860 Density= 0.054407 ETOT(band)= -0.057030 trlgG= -0.070691 logG= -0.012873 TDE= -0.084742 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010708 tlogG= -0.046948 logG= -0.057656 Density= 0.215562 ETOT(band)= -0.233147 trlgG= -0.293032 logG= -0.057656 TDE= -0.342047 logGD-logG0= -0.010182 tlogG= -0.047218 logG= -0.057400 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215286 ETOT(band)= -0.233154 trlgG= -0.292603 logG= -0.057400 TDE= -0.341737 logGD-logG0= -0.009880 tlogG= -0.047288 logG= -0.057168 Density= 0.214618 ETOT(band)= -0.233334 trlgG= -0.292680 logG= -0.057168 TDE= -0.341716 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.021910 logG= -0.026950 Density= 0.108386 ETOT(band)= -0.115157 trlgG= -0.143493 logG= -0.026950 TDE= -0.170177 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004875 tlogG= -0.021024 logG= -0.025900 Density= 0.108769 ETOT(band)= -0.114207 trlgG= -0.141661 logG= -0.025900 TDE= -0.169585 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005122 tlogG= -0.021850 logG= -0.026971 Density= 0.107857 ETOT(band)= -0.115441 trlgG= -0.143548 logG= -0.026971 TDE= -0.169950 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010121 tlogG= -0.043454 logG= -0.053575 Density= 0.216407 ETOT(band)= -0.230292 trlgG= -0.286461 logG= -0.053575 TDE= -0.339975 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021726 logG= -0.026789 Density= 0.107998 ETOT(band)= -0.115249 trlgG= -0.143241 logG= -0.026789 TDE= -0.169894 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001270 tlogG= -0.005756 logG= -0.007026 Density= 0.080687 ETOT(band)= -0.087326 trlgG= -0.109599 logG= -0.007026 TDE= -0.042726 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.022473 logG= -0.027638 logGD-logG0= -0.005255 tlogG= -0.023448 logG= -0.028703 Density= 0.216324 ETOT(band)= -0.232481 trlgG= -0.292180 logG= -0.028703 TDE= -0.171104 Density= 0.216499 ETOT(band)= -0.231109 trlgG= -0.288582 logG= -0.027638 TDE= -0.170485 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.023915 logG= -0.028875 Density= 0.213935 ETOT(band)= -0.233808 trlgG= -0.292957 logG= -0.028875 TDE= -0.170708 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023227 logG= -0.028442 Density= 0.215008 ETOT(band)= -0.232764 trlgG= -0.291182 logG= -0.028442 TDE= -0.170533 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004698 tlogG= -0.023402 logG= -0.028100 Density= 0.214327 ETOT(band)= -0.233175 trlgG= -0.292296 logG= -0.028100 TDE= -0.170825 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023275 logG= -0.028103 Density= 0.213649 ETOT(band)= -0.233410 trlgG= -0.292177 logG= -0.028103 TDE= -0.170660 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001448 tlogG= -0.007975 logG= -0.009423 Density= 0.070919 ETOT(band)= -0.077879 trlgG= -0.097435 logG= -0.009423 TDE= -0.056934 logGD-logG0= -0.004843 tlogG= -0.022358 logG= -0.027202 Density= 0.215168 ETOT(band)= -0.231764 trlgG= -0.289057 logG= -0.027202 TDE= -0.170171 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001290 tlogG= -0.005947 logG= -0.007237 Density= 0.080880 ETOT(band)= -0.087579 trlgG= -0.110351 logG= -0.007237 TDE= -0.042845 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004478 tlogG= -0.023769 logG= -0.028247 Density= 0.213241 ETOT(band)= -0.233377 trlgG= -0.291715 logG= -0.028247 TDE= -0.170696 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.005864 logG= -0.007149 Density= 0.080699 ETOT(band)= -0.087542 trlgG= -0.110154 logG= -0.007149 TDE= -0.042791 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005628 logG= -0.006877 Density= 0.080888 ETOT(band)= -0.086899 trlgG= -0.108598 logG= -0.006877 TDE= -0.042650 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.024033 logG= -0.029306 Density= 0.215815 ETOT(band)= -0.233675 trlgG= -0.294792 logG= -0.029306 TDE= -0.171493 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005992 logG= -0.007280 logGD-logG0= -0.004647 tlogG= -0.023920 logG= -0.028567 Density= 0.213434 ETOT(band)= -0.233655 trlgG= -0.292449 logG= -0.028567 TDE= -0.170701 Density= 0.081107 ETOT(band)= -0.087484 trlgG= -0.110407 logG= -0.007280 TDE= -0.042875 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022936 logG= -0.027950 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214939 ETOT(band)= -0.232208 trlgG= -0.289654 logG= -0.027950 TDE= -0.170349 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024032 logG= -0.029269 Density= 0.216477 ETOT(band)= -0.233164 trlgG= -0.294325 logG= -0.029269 TDE= -0.171511 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004344 tlogG= -0.024160 logG= -0.028504 Density= 0.212330 ETOT(band)= -0.234157 trlgG= -0.293631 logG= -0.028504 TDE= -0.170893 logGD-logG0= -0.005306 tlogG= -0.023831 logG= -0.029138 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215466 ETOT(band)= -0.233577 trlgG= -0.294139 logG= -0.029138 TDE= -0.171340 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005297 tlogG= -0.023517 logG= -0.028814 Density= 0.215349 ETOT(band)= -0.233141 trlgG= -0.292875 logG= -0.028814 TDE= -0.171083 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.024037 logG= -0.028855 Density= 0.321776 ETOT(band)= -0.350815 trlgG= -0.441282 logG= -0.028855 TDE= -0.171142 logGD-logG0= -0.005121 tlogG= -0.023878 logG= -0.028998 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215627 ETOT(band)= -0.233574 trlgG= -0.294240 logG= -0.028998 TDE= -0.171027 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010503 tlogG= -0.047851 logG= -0.058353 Density= 0.324536 ETOT(band)= -0.349650 trlgG= -0.440984 logG= -0.058353 TDE= -0.342861 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024153 logG= -0.029519 Density= 0.215847 ETOT(band)= -0.233830 trlgG= -0.295207 logG= -0.029519 TDE= -0.171524 logGD-logG0= -0.004621 tlogG= -0.024003 logG= -0.028624 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212962 ETOT(band)= -0.234060 trlgG= -0.293439 logG= -0.028624 TDE= -0.170749 logGD-logG0= -0.005123 tlogG= -0.023988 logG= -0.029111 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214481 ETOT(band)= -0.233899 trlgG= -0.293870 logG= -0.029111 TDE= -0.170980 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010783 tlogG= -0.048106 logG= -0.058889 Density= 0.323444 ETOT(band)= -0.350708 trlgG= -0.442312 logG= -0.058889 TDE= -0.342851 logGD-logG0= -0.005227 tlogG= -0.023001 logG= -0.028228 logGD-logG0= -0.010269 tlogG= -0.045697 logG= -0.055966 logGD-logG0= -0.005250 tlogG= -0.023794 logG= -0.029044 logGD-logG0= -0.005090 tlogG= -0.024194 logG= -0.029284 Density= 0.322644 ETOT(band)= -0.350936 trlgG= -0.441961 logG= -0.029284 TDE= -0.171148 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216353 ETOT(band)= -0.231906 trlgG= -0.290565 logG= -0.028228 TDE= -0.170818 Density= 0.216402 ETOT(band)= -0.232862 trlgG= -0.293388 logG= -0.029044 TDE= -0.171343 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324240 ETOT(band)= -0.347677 trlgG= -0.434930 logG= -0.055966 TDE= -0.341291 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023989 logG= -0.029219 Density= 0.216511 ETOT(band)= -0.233061 trlgG= -0.294093 logG= -0.029219 TDE= -0.171484 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001598 tlogG= -0.006886 logG= -0.008484 Density= 0.040869 ETOT(band)= -0.042643 trlgG= -0.052798 logG= -0.008484 TDE= -0.056436 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010548 tlogG= -0.047300 logG= -0.057848 logGD-logG0= -0.005064 tlogG= -0.024188 logG= -0.029252 Density= 0.324322 ETOT(band)= -0.349280 trlgG= -0.439634 logG= -0.057848 TDE= -0.342470 Density= 0.214879 ETOT(band)= -0.233975 trlgG= -0.294489 logG= -0.029252 TDE= -0.171153 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.023399 logG= -0.028129 logGD-logG0= -0.005076 tlogG= -0.023278 logG= -0.028353 Density= 0.321848 ETOT(band)= -0.349767 trlgG= -0.438706 logG= -0.028129 TDE= -0.170817 Density= 0.321914 ETOT(band)= -0.350274 trlgG= -0.439555 logG= -0.028353 TDE= -0.170771 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.046481 logG= -0.057024 Density= 0.324190 ETOT(band)= -0.348621 trlgG= -0.437548 logG= -0.057024 TDE= -0.341913 logGD-logG0= -0.004785 tlogG= -0.024038 logG= -0.028823 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214263 ETOT(band)= -0.233888 trlgG= -0.294089 logG= -0.028823 TDE= -0.171146 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009776 tlogG= -0.046669 logG= -0.056445 Density= 0.322912 ETOT(band)= -0.348732 trlgG= -0.436356 logG= -0.056445 TDE= -0.341446 logGD-logG0= -0.005399 tlogG= -0.023989 logG= -0.029387 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323853 ETOT(band)= -0.350387 trlgG= -0.442063 logG= -0.029387 TDE= -0.171396 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005180 logG= -0.006379 Density= 0.062581 ETOT(band)= -0.067488 trlgG= -0.084198 logG= -0.006379 TDE= -0.042340 logGD-logG0= -0.001709 tlogG= -0.007128 logG= -0.008837 Density= 0.072272 ETOT(band)= -0.076422 trlgG= -0.094837 logG= -0.008837 TDE= -0.056596 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009046 tlogG= -0.048155 logG= -0.057201 Density= 0.425844 ETOT(band)= -0.467918 trlgG= -0.586363 logG= -0.057201 TDE= -0.341613 logGD-logG0= -0.005294 tlogG= -0.024117 logG= -0.029411 Density= 0.323260 ETOT(band)= -0.350914 trlgG= -0.442613 logG= -0.029411 TDE= -0.171337 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023867 logG= -0.028746 Density= 0.213721 ETOT(band)= -0.233944 trlgG= -0.293694 logG= -0.028746 TDE= -0.170964 logGD-logG0= -0.005479 tlogG= -0.023389 logG= -0.028868 logGD-logG0= -0.005461 tlogG= -0.023716 logG= -0.029177 Density= 0.215243 ETOT(band)= -0.233166 trlgG= -0.292678 logG= -0.028868 TDE= -0.170877 Density= 0.215540 ETOT(band)= -0.233427 trlgG= -0.293820 logG= -0.029177 TDE= -0.171170 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009731 tlogG= -0.047901 logG= -0.057632 Density= 0.428325 ETOT(band)= -0.467757 trlgG= -0.587762 logG= -0.057632 TDE= -0.342098 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010235 tlogG= -0.048211 logG= -0.058446 logGD-logG0= -0.001588 tlogG= -0.007598 logG= -0.009186 Density= 0.429577 ETOT(band)= -0.467882 trlgG= -0.588538 logG= -0.058446 TDE= -0.342146 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071546 ETOT(band)= -0.077283 trlgG= -0.096142 logG= -0.009186 TDE= -0.056710 logGD-logG0= -0.009595 tlogG= -0.046670 logG= -0.056264 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428387 ETOT(band)= -0.466454 trlgG= -0.584368 logG= -0.056264 TDE= -0.341468 logGD-logG0= -0.009539 tlogG= -0.046773 logG= -0.056312 Density= 0.428189 ETOT(band)= -0.465730 trlgG= -0.581758 logG= -0.056312 TDE= -0.341051 logGD-logG0= -0.010578 tlogG= -0.048137 logG= -0.058714 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430413 ETOT(band)= -0.467724 trlgG= -0.588978 logG= -0.058714 TDE= -0.342479 logGD-logG0= -0.010343 tlogG= -0.047732 logG= -0.058075 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428577 ETOT(band)= -0.467743 trlgG= -0.587093 logG= -0.058075 TDE= -0.341739 logGD-logG0= -0.010368 tlogG= -0.048286 logG= -0.058654 logGD-logG0= -0.010403 tlogG= -0.048020 logG= -0.058423 Density= 0.430307 ETOT(band)= -0.467893 trlgG= -0.589305 logG= -0.058654 TDE= -0.342353 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429482 ETOT(band)= -0.467843 trlgG= -0.588177 logG= -0.058423 TDE= -0.341981 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010853 tlogG= -0.047756 logG= -0.058609 logGD-logG0= -0.004956 tlogG= -0.021336 logG= -0.026293 Density= 0.431353 ETOT(band)= -0.467102 trlgG= -0.588636 logG= -0.058609 TDE= -0.342604 logGD-logG0= -0.010746 tlogG= -0.047796 logG= -0.058542 Density= 0.162740 ETOT(band)= -0.172859 trlgG= -0.215906 logG= -0.026293 TDE= -0.169801 Density= 0.431015 ETOT(band)= -0.467155 trlgG= -0.588273 logG= -0.058542 TDE= -0.342497 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.023615 logG= -0.028149 logGD-logG0= -0.009907 tlogG= -0.047917 logG= -0.057824 Density= 0.212776 ETOT(band)= -0.233780 trlgG= -0.292687 logG= -0.028149 TDE= -0.170611 logGD-logG0= -0.009736 tlogG= -0.047714 logG= -0.057450 Density= 0.429414 ETOT(band)= -0.467544 trlgG= -0.587748 logG= -0.057824 TDE= -0.342087 Density= 0.426972 ETOT(band)= -0.467956 trlgG= -0.586881 logG= -0.057450 TDE= -0.341627 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.046463 logG= -0.056486 logGD-logG0= -0.010778 tlogG= -0.048081 logG= -0.058859 Density= 0.429814 ETOT(band)= -0.465175 trlgG= -0.581451 logG= -0.056486 TDE= -0.341165 Density= 0.431591 ETOT(band)= -0.467386 trlgG= -0.589630 logG= -0.058859 TDE= -0.342869 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005414 tlogG= -0.023929 logG= -0.029343 Density= 0.215775 ETOT(band)= -0.233577 trlgG= -0.294520 logG= -0.029343 TDE= -0.171348 logGD-logG0= -0.010406 tlogG= -0.046996 logG= -0.057402 Density= 0.430156 ETOT(band)= -0.466095 trlgG= -0.584142 logG= -0.057402 TDE= -0.341449 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009690 tlogG= -0.047832 logG= -0.057523 Density= 0.427473 ETOT(band)= -0.467511 trlgG= -0.585739 logG= -0.057523 TDE= -0.341330 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047635 logG= -0.057966 Density= 0.430282 ETOT(band)= -0.466744 trlgG= -0.586072 logG= -0.057966 TDE= -0.341893 logGD-logG0= -0.001237 tlogG= -0.005477 logG= -0.006714 Density= 0.081248 ETOT(band)= -0.086290 trlgG= -0.107364 logG= -0.006714 TDE= -0.042552 logGD-logG0= -0.010087 tlogG= -0.047622 logG= -0.057709 logGD-logG0= -0.004884 tlogG= -0.022359 logG= -0.027243 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428892 ETOT(band)= -0.467091 trlgG= -0.586140 logG= -0.057709 TDE= -0.341785 Density= 0.323079 ETOT(band)= -0.347702 trlgG= -0.433967 logG= -0.027243 TDE= -0.170166 logGD-logG0= -0.010805 tlogG= -0.047335 logG= -0.058140 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430749 ETOT(band)= -0.466728 trlgG= -0.586800 logG= -0.058140 TDE= -0.342113 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.021914 logG= -0.027041 Density= 0.216753 ETOT(band)= -0.230114 trlgG= -0.286470 logG= -0.027041 TDE= -0.170145 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001217 tlogG= -0.005316 logG= -0.006533 Density= 0.081602 ETOT(band)= -0.085625 trlgG= -0.106208 logG= -0.006533 TDE= -0.042441 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010064 tlogG= -0.044688 logG= -0.054751 Density= 0.324482 ETOT(band)= -0.346409 trlgG= -0.431924 logG= -0.054751 TDE= -0.340615 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004996 tlogG= -0.022323 logG= -0.027319 Density= 0.214407 ETOT(band)= -0.232244 trlgG= -0.289402 logG= -0.027319 TDE= -0.170084 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004965 tlogG= -0.022503 logG= -0.027468 Density= 0.215164 ETOT(band)= -0.231475 trlgG= -0.288012 logG= -0.027468 TDE= -0.170097 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.021386 logG= -0.026424 Density= 0.217143 ETOT(band)= -0.229010 trlgG= -0.284270 logG= -0.026424 TDE= -0.169814 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009913 tlogG= -0.044688 logG= -0.054601 Density= 0.431875 ETOT(band)= -0.461721 trlgG= -0.574688 logG= -0.054601 TDE= -0.340251 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004998 tlogG= -0.021241 logG= -0.026238 Density= 0.216475 ETOT(band)= -0.229864 trlgG= -0.285520 logG= -0.026238 TDE= -0.169721 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.556051518495 eV TrLogG= -407.315534537795 eV Ratio to renormalize= 0.999392095336 rho-rho_expected= 0.013382037603 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 54) Finished k-point number 110 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964416654236068 0.939955425863987 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004300 tlogG= -0.024054 logG= -0.028354 Density= 0.106125 ETOT(band)= -0.117067 trlgG= -0.146678 logG= -0.028354 TDE= -0.170840 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004327 tlogG= -0.023977 logG= -0.028304 Density= 0.106176 ETOT(band)= -0.117024 trlgG= -0.146565 logG= -0.028304 TDE= -0.170802 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.022993 logG= -0.027683 Density= 0.106874 ETOT(band)= -0.116399 trlgG= -0.145100 logG= -0.027683 TDE= -0.170304 logGD-logG0= -0.004713 tlogG= -0.023505 logG= -0.028218 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106774 ETOT(band)= -0.116721 trlgG= -0.145850 logG= -0.028218 TDE= -0.170469 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.022412 logG= -0.027407 Density= 0.107629 ETOT(band)= -0.115879 trlgG= -0.144345 logG= -0.027407 TDE= -0.170198 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002395 tlogG= -0.010428 logG= -0.012824 Density= 0.054370 ETOT(band)= -0.057035 trlgG= -0.070653 logG= -0.012824 TDE= -0.084734 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001619 tlogG= -0.006993 logG= -0.008612 Density= 0.036191 ETOT(band)= -0.038101 trlgG= -0.047220 logG= -0.008612 TDE= -0.056517 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004994 tlogG= -0.021698 logG= -0.026692 Density= 0.107924 ETOT(band)= -0.115261 trlgG= -0.143164 logG= -0.026692 TDE= -0.169879 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005212 tlogG= -0.023971 logG= -0.029183 Density= 0.107435 ETOT(band)= -0.116971 trlgG= -0.147140 logG= -0.029183 TDE= -0.171121 logGD-logG0= -0.005115 tlogG= -0.023607 logG= -0.028722 Density= 0.108188 ETOT(band)= -0.116349 trlgG= -0.146438 logG= -0.028722 TDE= -0.171253 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023580 logG= -0.028880 Density= 0.107788 ETOT(band)= -0.116626 trlgG= -0.146681 logG= -0.028880 TDE= -0.171141 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 logGD-logG0= -0.009065 tlogG= -0.047641 logG= -0.056705 Density= 0.212934 ETOT(band)= -0.233853 trlgG= -0.292685 logG= -0.056705 TDE= -0.341350 Density= 0.004542 ETOT(band)= -0.004730 trlgG= -0.005849 logG= -0.001048 TDE= -0.007049 logGD-logG0= -0.009717 tlogG= -0.045596 logG= -0.055312 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214361 ETOT(band)= -0.232482 trlgG= -0.289983 logG= -0.055312 TDE= -0.340748 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002317 tlogG= -0.011885 logG= -0.014201 logGD-logG0= -0.002594 tlogG= -0.012034 logG= -0.014628 Density= 0.053560 ETOT(band)= -0.058357 trlgG= -0.073214 logG= -0.014201 TDE= -0.085517 Density= 0.053758 ETOT(band)= -0.058492 trlgG= -0.073634 logG= -0.014628 TDE= -0.085608 logGD-logG0= -0.009765 tlogG= -0.047169 logG= -0.056935 Density= 0.213776 ETOT(band)= -0.233607 trlgG= -0.292409 logG= -0.056935 TDE= -0.341262 logGD-logG0= -0.002412 tlogG= -0.012083 logG= -0.014495 Density= 0.053582 ETOT(band)= -0.058502 trlgG= -0.073577 logG= -0.014495 TDE= -0.085597 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009490 tlogG= -0.047945 logG= -0.057435 Density= 0.213275 ETOT(band)= -0.234067 trlgG= -0.293327 logG= -0.057435 TDE= -0.341430 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002324 tlogG= -0.011449 logG= -0.013773 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053735 ETOT(band)= -0.058027 trlgG= -0.072451 logG= -0.013773 TDE= -0.085268 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001479 tlogG= -0.007812 logG= -0.009291 Density= 0.035494 ETOT(band)= -0.038893 trlgG= -0.048571 logG= -0.009291 TDE= -0.056844 logGD-logG0= -0.001398 tlogG= -0.008045 logG= -0.009443 Density= 0.035316 ETOT(band)= -0.039043 trlgG= -0.048934 logG= -0.009443 TDE= -0.056967 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.022460 logG= -0.027481 Density= 0.108192 ETOT(band)= -0.115657 trlgG= -0.144471 logG= -0.027481 TDE= -0.170528 logGD-logG0= -0.002553 tlogG= -0.011984 logG= -0.014538 Density= 0.054129 ETOT(band)= -0.058258 trlgG= -0.073502 logG= -0.014538 TDE= -0.085750 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023765 logG= -0.028904 logGD-logG0= -0.005090 tlogG= -0.022985 logG= -0.028075 Density= 0.108123 ETOT(band)= -0.116030 trlgG= -0.145418 logG= -0.028075 TDE= -0.170847 Density= 0.108162 ETOT(band)= -0.116464 trlgG= -0.146729 logG= -0.028904 TDE= -0.171350 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023432 logG= -0.028565 Density= 0.108117 ETOT(band)= -0.116301 trlgG= -0.146193 logG= -0.028565 TDE= -0.171129 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004522 tlogG= -0.024051 logG= -0.028573 Density= 0.106392 ETOT(band)= -0.117059 trlgG= -0.146691 logG= -0.028573 TDE= -0.170767 logGD-logG0= -0.004938 tlogG= -0.022173 logG= -0.027112 Density= 0.108347 ETOT(band)= -0.115352 trlgG= -0.143865 logG= -0.027112 TDE= -0.170369 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002622 tlogG= -0.011988 logG= -0.014610 logGD-logG0= -0.004603 tlogG= -0.023209 logG= -0.027812 Density= 0.106739 ETOT(band)= -0.116529 trlgG= -0.145363 logG= -0.027812 TDE= -0.170372 Density= 0.053976 ETOT(band)= -0.058377 trlgG= -0.073621 logG= -0.014610 TDE= -0.085721 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024086 logG= -0.029363 logGD-logG0= -0.005113 tlogG= -0.023872 logG= -0.028986 Density= 0.107874 ETOT(band)= -0.116896 trlgG= -0.147481 logG= -0.029363 TDE= -0.171500 logGD-logG0= -0.005261 tlogG= -0.024076 logG= -0.029337 Density= 0.107632 ETOT(band)= -0.116987 trlgG= -0.147415 logG= -0.029337 TDE= -0.171339 Density= 0.108233 ETOT(band)= -0.116475 trlgG= -0.146860 logG= -0.028986 TDE= -0.171433 logGD-logG0= -0.004975 tlogG= -0.023651 logG= -0.028626 logGD-logG0= -0.004976 tlogG= -0.024096 logG= -0.029072 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107372 ETOT(band)= -0.116949 trlgG= -0.147039 logG= -0.029072 TDE= -0.171100 logGD-logG0= -0.005126 tlogG= -0.023951 logG= -0.029077 Density= 0.108212 ETOT(band)= -0.116540 trlgG= -0.147008 logG= -0.029077 TDE= -0.171480 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.023218 logG= -0.028301 Density= 0.106976 ETOT(band)= -0.116842 trlgG= -0.146190 logG= -0.028626 TDE= -0.170501 Density= 0.108180 ETOT(band)= -0.116125 trlgG= -0.145774 logG= -0.028301 TDE= -0.171006 logGD-logG0= -0.004974 tlogG= -0.021879 logG= -0.026853 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108312 ETOT(band)= -0.115167 trlgG= -0.143417 logG= -0.026853 TDE= -0.170162 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023687 logG= -0.028956 logGD-logG0= -0.005309 tlogG= -0.024132 logG= -0.029442 Density= 0.107225 ETOT(band)= -0.116917 trlgG= -0.146742 logG= -0.028956 TDE= -0.170846 Density= 0.107798 ETOT(band)= -0.116983 trlgG= -0.147605 logG= -0.029442 TDE= -0.171508 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004657 tlogG= -0.023674 logG= -0.028331 Density= 0.106600 ETOT(band)= -0.116866 trlgG= -0.146274 logG= -0.028331 TDE= -0.170693 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023908 logG= -0.029201 logGD-logG0= -0.005017 tlogG= -0.022737 logG= -0.027754 Density= 0.108236 ETOT(band)= -0.115795 trlgG= -0.144908 logG= -0.027754 TDE= -0.170714 logGD-logG0= -0.005092 tlogG= -0.022880 logG= -0.027973 Density= 0.107609 ETOT(band)= -0.116213 trlgG= -0.145240 logG= -0.027973 TDE= -0.170518 Density= 0.107740 ETOT(band)= -0.116854 trlgG= -0.147201 logG= -0.029201 TDE= -0.171315 logGD-logG0= -0.004846 tlogG= -0.022854 logG= -0.027700 Density= 0.107740 ETOT(band)= -0.116009 trlgG= -0.144831 logG= -0.027700 TDE= -0.170446 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023901 logG= -0.028780 Density= 0.106756 ETOT(band)= -0.117023 trlgG= -0.146803 logG= -0.028780 TDE= -0.170851 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004863 tlogG= -0.024071 logG= -0.028935 Density= 0.107052 ETOT(band)= -0.117007 trlgG= -0.147061 logG= -0.028935 TDE= -0.171101 logGD-logG0= -0.004813 tlogG= -0.023692 logG= -0.028504 Density= 0.107372 ETOT(band)= -0.116637 trlgG= -0.146297 logG= -0.028504 TDE= -0.170926 logGD-logG0= -0.005263 tlogG= -0.023870 logG= -0.029133 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107902 ETOT(band)= -0.116723 trlgG= -0.147098 logG= -0.029133 TDE= -0.171360 logGD-logG0= -0.005283 tlogG= -0.023203 logG= -0.028485 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107674 ETOT(band)= -0.116463 trlgG= -0.146051 logG= -0.028485 TDE= -0.170848 logGD-logG0= -0.004724 tlogG= -0.022855 logG= -0.027579 Density= 0.107295 ETOT(band)= -0.116150 trlgG= -0.144953 logG= -0.027579 TDE= -0.170469 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.048250 logG= -0.057998 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214391 ETOT(band)= -0.233975 trlgG= -0.294200 logG= -0.057998 TDE= -0.342293 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.045767 logG= -0.055205 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215010 ETOT(band)= -0.232137 trlgG= -0.289812 logG= -0.055205 TDE= -0.341004 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004691 tlogG= -0.023689 logG= -0.028380 logGD-logG0= -0.009615 tlogG= -0.047164 logG= -0.056779 Density= 0.213766 ETOT(band)= -0.233562 trlgG= -0.292616 logG= -0.056779 TDE= -0.341620 logGD-logG0= -0.005252 tlogG= -0.024058 logG= -0.029310 Density= 0.107933 ETOT(band)= -0.116830 trlgG= -0.147394 logG= -0.029310 TDE= -0.171495 Density= 0.106974 ETOT(band)= -0.116752 trlgG= -0.146383 logG= -0.028380 TDE= -0.170939 logGD-logG0= -0.009894 tlogG= -0.047905 logG= -0.057800 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213963 ETOT(band)= -0.234010 trlgG= -0.293883 logG= -0.057800 TDE= -0.341963 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010470 tlogG= -0.047755 logG= -0.058226 Density= 0.214742 ETOT(band)= -0.233904 trlgG= -0.294031 logG= -0.058226 TDE= -0.342070 logGD-logG0= -0.010425 tlogG= -0.048091 logG= -0.058516 logGD-logG0= -0.009388 tlogG= -0.047453 logG= -0.056841 Density= 0.214305 ETOT(band)= -0.233397 trlgG= -0.292752 logG= -0.056841 TDE= -0.341960 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215052 ETOT(band)= -0.233960 trlgG= -0.294545 logG= -0.058516 TDE= -0.342447 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010272 tlogG= -0.047990 logG= -0.058263 Density= 0.215056 ETOT(band)= -0.233815 trlgG= -0.294128 logG= -0.058263 TDE= -0.342286 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010505 tlogG= -0.048026 logG= -0.058531 Density= 0.215089 ETOT(band)= -0.233951 trlgG= -0.294572 logG= -0.058531 TDE= -0.342477 logGD-logG0= -0.010334 tlogG= -0.047795 logG= -0.058129 Density= 0.214643 ETOT(band)= -0.233896 trlgG= -0.293860 logG= -0.058129 TDE= -0.341947 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010502 tlogG= -0.047941 logG= -0.058443 logGD-logG0= -0.010575 tlogG= -0.047529 logG= -0.058104 Density= 0.215676 ETOT(band)= -0.233413 trlgG= -0.293925 logG= -0.058104 TDE= -0.342548 Density= 0.215870 ETOT(band)= -0.233531 trlgG= -0.294490 logG= -0.058443 TDE= -0.342869 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010128 tlogG= -0.047671 logG= -0.057800 Density= 0.213944 ETOT(band)= -0.233997 trlgG= -0.293636 logG= -0.057800 TDE= -0.341706 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001684 tlogG= -0.007306 logG= -0.008990 logGD-logG0= -0.010017 tlogG= -0.048036 logG= -0.058054 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214520 ETOT(band)= -0.233924 trlgG= -0.293952 logG= -0.058054 TDE= -0.342053 logGD-logG0= -0.010353 tlogG= -0.047324 logG= -0.057677 Density= 0.214253 ETOT(band)= -0.233793 trlgG= -0.293113 logG= -0.057677 TDE= -0.341459 Density= 0.035843 ETOT(band)= -0.038548 trlgG= -0.047877 logG= -0.008990 TDE= -0.056624 logGD-logG0= -0.010526 tlogG= -0.047436 logG= -0.057962 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009821 tlogG= -0.045658 logG= -0.055478 Density= 0.215447 ETOT(band)= -0.233451 trlgG= -0.293682 logG= -0.057962 TDE= -0.342333 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215140 ETOT(band)= -0.232214 trlgG= -0.289806 logG= -0.055478 TDE= -0.340789 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010131 tlogG= -0.046424 logG= -0.056555 logGD-logG0= -0.010617 tlogG= -0.048158 logG= -0.058775 Density= 0.215201 ETOT(band)= -0.232779 trlgG= -0.291436 logG= -0.056555 TDE= -0.341373 Density= 0.215401 ETOT(band)= -0.233980 trlgG= -0.295012 logG= -0.058775 TDE= -0.342828 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002455 tlogG= -0.010843 logG= -0.013298 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054058 ETOT(band)= -0.057550 trlgG= -0.071496 logG= -0.013298 TDE= -0.084949 logGD-logG0= -0.009743 tlogG= -0.047231 logG= -0.056974 logGD-logG0= -0.010556 tlogG= -0.047890 logG= -0.058446 Density= 0.215743 ETOT(band)= -0.233602 trlgG= -0.294489 logG= -0.058446 TDE= -0.342804 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214469 ETOT(band)= -0.233361 trlgG= -0.292529 logG= -0.056974 TDE= -0.341685 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010569 tlogG= -0.046893 logG= -0.057462 Density= 0.215410 ETOT(band)= -0.233173 trlgG= -0.292881 logG= -0.057462 TDE= -0.342015 logGD-logG0= -0.010043 tlogG= -0.047163 logG= -0.057206 Density= 0.215135 ETOT(band)= -0.233181 trlgG= -0.292452 logG= -0.057206 TDE= -0.341705 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004273 tlogG= -0.024134 logG= -0.028408 Density= 0.212188 ETOT(band)= -0.234184 trlgG= -0.293478 logG= -0.028408 TDE= -0.170878 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.021569 logG= -0.026457 logGD-logG0= -0.004463 tlogG= -0.023590 logG= -0.028053 Density= 0.212632 ETOT(band)= -0.233807 trlgG= -0.292535 logG= -0.028053 TDE= -0.170596 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108501 ETOT(band)= -0.114802 trlgG= -0.142739 logG= -0.026457 TDE= -0.169973 logGD-logG0= -0.004576 tlogG= -0.023895 logG= -0.028471 Density= 0.213287 ETOT(band)= -0.233683 trlgG= -0.292299 logG= -0.028471 TDE= -0.170686 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004808 tlogG= -0.020994 logG= -0.025802 Density= 0.108695 ETOT(band)= -0.114216 trlgG= -0.141584 logG= -0.025802 TDE= -0.169570 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005053 tlogG= -0.021821 logG= -0.026874 Density= 0.107783 ETOT(band)= -0.115452 trlgG= -0.143472 logG= -0.026874 TDE= -0.169934 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081547 ETOT(band)= -0.085632 trlgG= -0.106151 logG= -0.006509 TDE= -0.042437 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009982 tlogG= -0.043398 logG= -0.053380 Density= 0.216259 ETOT(band)= -0.230314 trlgG= -0.286309 logG= -0.053380 TDE= -0.339944 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004942 tlogG= -0.022911 logG= -0.027853 Density= 0.214791 ETOT(band)= -0.232234 trlgG= -0.289502 logG= -0.027853 TDE= -0.170334 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001687 tlogG= -0.007118 logG= -0.008805 Density= 0.072223 ETOT(band)= -0.076429 trlgG= -0.094786 logG= -0.008805 TDE= -0.056591 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004927 tlogG= -0.022295 logG= -0.027222 Density= 0.214261 ETOT(band)= -0.232270 trlgG= -0.289251 logG= -0.027222 TDE= -0.170068 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004931 tlogG= -0.021210 logG= -0.026141 Density= 0.216327 ETOT(band)= -0.229885 trlgG= -0.285367 logG= -0.026141 TDE= -0.169705 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.024160 logG= -0.029155 Density= 0.214726 ETOT(band)= -0.234003 trlgG= -0.294339 logG= -0.029155 TDE= -0.171138 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023763 logG= -0.028947 Density= 0.216250 ETOT(band)= -0.232886 trlgG= -0.293238 logG= -0.028947 TDE= -0.171327 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005939 logG= -0.007213 Density= 0.080823 ETOT(band)= -0.087589 trlgG= -0.110295 logG= -0.007213 TDE= -0.042841 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005856 logG= -0.007125 Density= 0.080642 ETOT(band)= -0.087552 trlgG= -0.110097 logG= -0.007125 TDE= -0.042787 logGD-logG0= -0.001233 tlogG= -0.005620 logG= -0.006853 Density= 0.080832 ETOT(band)= -0.086908 trlgG= -0.108541 logG= -0.006853 TDE= -0.042646 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023683 logG= -0.029080 Density= 0.215387 ETOT(band)= -0.233454 trlgG= -0.293670 logG= -0.029080 TDE= -0.171154 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008903 tlogG= -0.048104 logG= -0.057008 Density= 0.425554 ETOT(band)= -0.467974 trlgG= -0.586060 logG= -0.057008 TDE= -0.341583 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005748 logG= -0.007002 Density= 0.080631 ETOT(band)= -0.087335 trlgG= -0.109542 logG= -0.007002 TDE= -0.042722 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009396 tlogG= -0.046723 logG= -0.056119 Density= 0.427895 ETOT(band)= -0.465782 trlgG= -0.581455 logG= -0.056119 TDE= -0.341020 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005984 logG= -0.007256 Density= 0.081050 ETOT(band)= -0.087494 trlgG= -0.110351 logG= -0.007256 TDE= -0.042871 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009546 tlogG= -0.047783 logG= -0.057329 Density= 0.427176 ETOT(band)= -0.467568 trlgG= -0.585437 logG= -0.057329 TDE= -0.341299 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024001 logG= -0.029210 Density= 0.215662 ETOT(band)= -0.233701 trlgG= -0.294642 logG= -0.029210 TDE= -0.171477 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.023799 logG= -0.029041 Density= 0.215314 ETOT(band)= -0.233604 trlgG= -0.293989 logG= -0.029041 TDE= -0.171324 logGD-logG0= -0.001424 tlogG= -0.007966 logG= -0.009391 Density= 0.070871 ETOT(band)= -0.077887 trlgG= -0.097384 logG= -0.009391 TDE= -0.056929 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004749 tlogG= -0.024008 logG= -0.028758 Density= 0.321551 ETOT(band)= -0.350856 trlgG= -0.441056 logG= -0.028758 TDE= -0.171126 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009592 tlogG= -0.047665 logG= -0.057256 Density= 0.426676 ETOT(band)= -0.468013 trlgG= -0.586577 logG= -0.057256 TDE= -0.341596 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.024121 logG= -0.029422 Density= 0.215694 ETOT(band)= -0.233857 trlgG= -0.295057 logG= -0.029422 TDE= -0.171508 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.023850 logG= -0.028901 Density= 0.215474 ETOT(band)= -0.233601 trlgG= -0.294090 logG= -0.028901 TDE= -0.171011 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.024000 logG= -0.029172 Density= 0.216324 ETOT(band)= -0.233190 trlgG= -0.294176 logG= -0.029172 TDE= -0.171495 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010373 tlogG= -0.047787 logG= -0.058160 Density= 0.324307 ETOT(band)= -0.349688 trlgG= -0.440759 logG= -0.058160 TDE= -0.342829 logGD-logG0= -0.005228 tlogG= -0.023489 logG= -0.028717 Density= 0.215199 ETOT(band)= -0.233167 trlgG= -0.292724 logG= -0.028717 TDE= -0.171067 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023978 logG= -0.028527 Density= 0.212817 ETOT(band)= -0.234088 trlgG= -0.293289 logG= -0.028527 TDE= -0.170734 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023370 logG= -0.028032 logGD-logG0= -0.005097 tlogG= -0.022444 logG= -0.027541 Density= 0.321627 ETOT(band)= -0.349806 trlgG= -0.438478 logG= -0.028032 TDE= -0.170802 Density= 0.216349 ETOT(band)= -0.231132 trlgG= -0.288429 logG= -0.027541 TDE= -0.170469 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023957 logG= -0.029122 logGD-logG0= -0.010129 tlogG= -0.045642 logG= -0.055772 Density= 0.324016 ETOT(band)= -0.347712 trlgG= -0.434701 logG= -0.055772 TDE= -0.341259 Density= 0.216358 ETOT(band)= -0.233086 trlgG= -0.293944 logG= -0.029122 TDE= -0.171468 logGD-logG0= -0.004408 tlogG= -0.023743 logG= -0.028151 Density= 0.213097 ETOT(band)= -0.233404 trlgG= -0.291564 logG= -0.028151 TDE= -0.170681 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047237 logG= -0.057654 Density= 0.324093 ETOT(band)= -0.349318 trlgG= -0.439409 logG= -0.057654 TDE= -0.342438 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.023890 logG= -0.028778 logGD-logG0= -0.005190 tlogG= -0.023416 logG= -0.028606 Density= 0.216172 ETOT(band)= -0.232505 trlgG= -0.292029 logG= -0.028606 TDE= -0.171089 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213785 ETOT(band)= -0.233836 trlgG= -0.292806 logG= -0.028778 TDE= -0.170693 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.023959 logG= -0.029014 Density= 0.214330 ETOT(band)= -0.233927 trlgG= -0.293720 logG= -0.029014 TDE= -0.170964 logGD-logG0= -0.005021 tlogG= -0.024166 logG= -0.029187 logGD-logG0= -0.010412 tlogG= -0.046418 logG= -0.056830 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322415 ETOT(band)= -0.350978 trlgG= -0.441736 logG= -0.029187 TDE= -0.171133 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323963 ETOT(band)= -0.348658 trlgG= -0.437321 logG= -0.056830 TDE= -0.341882 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010647 tlogG= -0.048047 logG= -0.058695 logGD-logG0= -0.001576 tlogG= -0.006876 logG= -0.008451 logGD-logG0= -0.009924 tlogG= -0.044632 logG= -0.054556 logGD-logG0= -0.005161 tlogG= -0.022970 logG= -0.028131 Density= 0.323213 ETOT(band)= -0.350749 trlgG= -0.442087 logG= -0.058695 TDE= -0.342818 Density= 0.216203 ETOT(band)= -0.231930 trlgG= -0.290413 logG= -0.028131 TDE= -0.170802 Density= 0.324260 ETOT(band)= -0.346443 trlgG= -0.431695 logG= -0.054556 TDE= -0.340584 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.023250 logG= -0.028256 logGD-logG0= -0.004760 tlogG= -0.023246 logG= -0.028007 Density= 0.213503 ETOT(band)= -0.233437 trlgG= -0.292024 logG= -0.028007 TDE= -0.170645 Density= 0.321689 ETOT(band)= -0.350316 trlgG= -0.439329 logG= -0.028256 TDE= -0.170755 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023957 logG= -0.029290 Density= 0.323623 ETOT(band)= -0.350426 trlgG= -0.441838 logG= -0.029290 TDE= -0.171380 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040842 ETOT(band)= -0.042646 trlgG= -0.052769 logG= -0.008451 TDE= -0.056431 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.023897 logG= -0.029246 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215622 ETOT(band)= -0.233604 trlgG= -0.294371 logG= -0.029246 TDE= -0.171332 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005172 logG= -0.006355 Density= 0.062540 ETOT(band)= -0.067494 trlgG= -0.084153 logG= -0.006355 TDE= -0.042336 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004811 tlogG= -0.023838 logG= -0.028650 Density= 0.213572 ETOT(band)= -0.233972 trlgG= -0.293543 logG= -0.028650 TDE= -0.170948 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.024090 logG= -0.029314 Density= 0.323029 ETOT(band)= -0.350955 trlgG= -0.442387 logG= -0.029314 TDE= -0.171321 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004717 tlogG= -0.024009 logG= -0.028726 Density= 0.214114 ETOT(band)= -0.233915 trlgG= -0.293938 logG= -0.028726 TDE= -0.171131 logGD-logG0= -0.009638 tlogG= -0.046613 logG= -0.056250 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322688 ETOT(band)= -0.348769 trlgG= -0.436130 logG= -0.056250 TDE= -0.341415 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023202 logG= -0.028345 Density= 0.214858 ETOT(band)= -0.232790 trlgG= -0.291030 logG= -0.028345 TDE= -0.170517 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009594 tlogG= -0.047844 logG= -0.057439 Density= 0.428026 ETOT(band)= -0.467813 trlgG= -0.587460 logG= -0.057439 TDE= -0.342067 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001565 tlogG= -0.007589 logG= -0.009154 Density= 0.071497 ETOT(band)= -0.077291 trlgG= -0.096092 logG= -0.009154 TDE= -0.056704 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023362 logG= -0.028771 Density= 0.215091 ETOT(band)= -0.233193 trlgG= -0.292527 logG= -0.028771 TDE= -0.170861 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010098 tlogG= -0.048155 logG= -0.058253 Density= 0.429273 ETOT(band)= -0.467939 trlgG= -0.588238 logG= -0.058253 TDE= -0.342115 logGD-logG0= -0.010204 tlogG= -0.047678 logG= -0.057881 Density= 0.428276 ETOT(band)= -0.467800 trlgG= -0.586793 logG= -0.057881 TDE= -0.341708 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010723 tlogG= -0.047692 logG= -0.058415 Density= 0.431046 ETOT(band)= -0.467156 trlgG= -0.588336 logG= -0.058415 TDE= -0.342572 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009458 tlogG= -0.046613 logG= -0.056071 Density= 0.428093 ETOT(band)= -0.466507 trlgG= -0.584065 logG= -0.056071 TDE= -0.341437 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.048230 logG= -0.058460 logGD-logG0= -0.010266 tlogG= -0.047964 logG= -0.058230 Density= 0.429178 ETOT(band)= -0.467899 trlgG= -0.587876 logG= -0.058230 TDE= -0.341949 Density= 0.430001 ETOT(band)= -0.467949 trlgG= -0.589003 logG= -0.058460 TDE= -0.342321 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.021305 logG= -0.026195 logGD-logG0= -0.010607 tlogG= -0.047741 logG= -0.058348 Density= 0.162628 ETOT(band)= -0.172875 trlgG= -0.215792 logG= -0.026195 TDE= -0.169786 Density= 0.430709 ETOT(band)= -0.467209 trlgG= -0.587972 logG= -0.058348 TDE= -0.342465 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010439 tlogG= -0.048081 logG= -0.058520 Density= 0.430107 ETOT(band)= -0.467780 trlgG= -0.588676 logG= -0.058520 TDE= -0.342447 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009770 tlogG= -0.047861 logG= -0.057630 Density= 0.429112 ETOT(band)= -0.467599 trlgG= -0.587448 logG= -0.057630 TDE= -0.342057 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010268 tlogG= -0.046940 logG= -0.057208 Density= 0.429854 ETOT(band)= -0.466149 trlgG= -0.583839 logG= -0.057208 TDE= -0.341417 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.022331 logG= -0.027146 Density= 0.322858 ETOT(band)= -0.347737 trlgG= -0.433740 logG= -0.027146 TDE= -0.170151 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009950 tlogG= -0.047565 logG= -0.057515 Density= 0.428593 ETOT(band)= -0.467146 trlgG= -0.585839 logG= -0.057515 TDE= -0.341754 logGD-logG0= -0.009886 tlogG= -0.046407 logG= -0.056293 logGD-logG0= -0.010648 tlogG= -0.048017 logG= -0.058665 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431284 ETOT(band)= -0.467440 trlgG= -0.589330 logG= -0.058665 TDE= -0.342836 Density= 0.429516 ETOT(band)= -0.465227 trlgG= -0.581149 logG= -0.056293 TDE= -0.341134 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004630 tlogG= -0.023373 logG= -0.028003 Density= 0.214180 ETOT(band)= -0.233201 trlgG= -0.292144 logG= -0.028003 TDE= -0.170809 logGD-logG0= -0.010193 tlogG= -0.047579 logG= -0.057772 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010667 tlogG= -0.047279 logG= -0.057946 Density= 0.429979 ETOT(band)= -0.466798 trlgG= -0.585769 logG= -0.057772 TDE= -0.341861 Density= 0.430444 ETOT(band)= -0.466782 trlgG= -0.586499 logG= -0.057946 TDE= -0.342081 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006689 Density= 0.081192 ETOT(band)= -0.086297 trlgG= -0.107306 logG= -0.006689 TDE= -0.042549 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004894 tlogG= -0.022477 logG= -0.027371 Density= 0.215016 ETOT(band)= -0.231499 trlgG= -0.287861 logG= -0.027371 TDE= -0.170082 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004774 tlogG= -0.022330 logG= -0.027105 Density= 0.215021 ETOT(band)= -0.231788 trlgG= -0.288905 logG= -0.027105 TDE= -0.170156 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.021883 logG= -0.026944 Density= 0.216605 ETOT(band)= -0.230135 trlgG= -0.286317 logG= -0.026944 TDE= -0.170130 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004972 tlogG= -0.021355 logG= -0.026327 Density= 0.216995 ETOT(band)= -0.229029 trlgG= -0.284117 logG= -0.026327 TDE= -0.169799 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009775 tlogG= -0.044632 logG= -0.054407 Density= 0.431579 ETOT(band)= -0.461767 trlgG= -0.574385 logG= -0.054407 TDE= -0.340220 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.592558460108 eV TrLogG= -407.001815676496 eV Ratio to renormalize= 1.000089870557 rho-rho_expected=-0.001976974584 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964549351323683 0.940192134508672 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000195 tlogG= -0.000854 logG= -0.001049 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005851 logG= -0.001049 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001478 tlogG= -0.007819 logG= -0.009297 Density= 0.035498 ETOT(band)= -0.038910 trlgG= -0.048595 logG= -0.009297 TDE= -0.056864 logGD-logG0= -0.002591 tlogG= -0.012045 logG= -0.014636 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053766 ETOT(band)= -0.058515 trlgG= -0.073669 logG= -0.014636 TDE= -0.085639 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.008052 logG= -0.009449 logGD-logG0= -0.004298 tlogG= -0.024074 logG= -0.028372 Density= 0.106136 ETOT(band)= -0.117117 trlgG= -0.146748 logG= -0.028372 TDE= -0.170898 Density= 0.035320 ETOT(band)= -0.039060 trlgG= -0.048958 logG= -0.009449 TDE= -0.056987 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002321 tlogG= -0.011460 logG= -0.013782 logGD-logG0= -0.004600 tlogG= -0.023228 logG= -0.027829 Density= 0.053742 ETOT(band)= -0.058051 trlgG= -0.072485 logG= -0.013782 TDE= -0.085298 Density= 0.106752 ETOT(band)= -0.116578 trlgG= -0.145432 logG= -0.027829 TDE= -0.170430 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.012094 logG= -0.014503 Density= 0.053589 ETOT(band)= -0.058525 trlgG= -0.073611 logG= -0.014503 TDE= -0.085627 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002314 tlogG= -0.011896 logG= -0.014210 Density= 0.053567 ETOT(band)= -0.058381 trlgG= -0.073249 logG= -0.014210 TDE= -0.085547 logGD-logG0= -0.004687 tlogG= -0.023013 logG= -0.027700 Density= 0.106887 ETOT(band)= -0.116448 trlgG= -0.145171 logG= -0.027700 TDE= -0.170364 logGD-logG0= -0.004325 tlogG= -0.023997 logG= -0.028322 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106188 ETOT(band)= -0.117074 trlgG= -0.146635 logG= -0.028322 TDE= -0.170861 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023790 logG= -0.028919 Density= 0.108180 ETOT(band)= -0.116509 trlgG= -0.146797 logG= -0.028919 TDE= -0.171411 logGD-logG0= -0.002548 tlogG= -0.011997 logG= -0.014545 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054138 ETOT(band)= -0.058280 trlgG= -0.073536 logG= -0.014545 TDE= -0.085781 logGD-logG0= -0.005256 tlogG= -0.024097 logG= -0.029354 logGD-logG0= -0.005116 tlogG= -0.023977 logG= -0.029093 Density= 0.108230 ETOT(band)= -0.116584 trlgG= -0.147076 logG= -0.029093 TDE= -0.171541 logGD-logG0= -0.004712 tlogG= -0.023524 logG= -0.028235 Density= 0.106787 ETOT(band)= -0.116770 trlgG= -0.145918 logG= -0.028235 TDE= -0.170526 logGD-logG0= -0.005123 tlogG= -0.023457 logG= -0.028580 Density= 0.107648 ETOT(band)= -0.117033 trlgG= -0.147485 logG= -0.029354 TDE= -0.171401 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108133 ETOT(band)= -0.116346 trlgG= -0.146261 logG= -0.028580 TDE= -0.171190 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.022434 logG= -0.027424 Density= 0.107643 ETOT(band)= -0.115926 trlgG= -0.144414 logG= -0.027424 TDE= -0.170258 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023010 logG= -0.028091 Density= 0.108139 ETOT(band)= -0.116076 trlgG= -0.145486 logG= -0.028091 TDE= -0.170908 logGD-logG0= -0.004807 tlogG= -0.023714 logG= -0.028521 logGD-logG0= -0.005012 tlogG= -0.022485 logG= -0.027497 Density= 0.107387 ETOT(band)= -0.116684 trlgG= -0.146365 logG= -0.028521 TDE= -0.170985 logGD-logG0= -0.002391 tlogG= -0.010440 logG= -0.012831 Density= 0.054378 ETOT(band)= -0.057057 trlgG= -0.070685 logG= -0.012831 TDE= -0.084763 Density= 0.108207 ETOT(band)= -0.115703 trlgG= -0.144539 logG= -0.027497 TDE= -0.170588 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022198 logG= -0.027127 Density= 0.108362 ETOT(band)= -0.115397 trlgG= -0.143932 logG= -0.027127 TDE= -0.170428 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002617 tlogG= -0.012001 logG= -0.014618 Density= 0.053984 ETOT(band)= -0.058400 trlgG= -0.073655 logG= -0.014618 TDE= -0.085752 logGD-logG0= -0.005289 tlogG= -0.023929 logG= -0.029217 Density= 0.107756 ETOT(band)= -0.116899 trlgG= -0.147271 logG= -0.029217 TDE= -0.171377 logGD-logG0= -0.005266 tlogG= -0.024113 logG= -0.029379 logGD-logG0= -0.005103 tlogG= -0.023898 logG= -0.029001 Density= 0.108250 ETOT(band)= -0.116520 trlgG= -0.146927 logG= -0.029001 TDE= -0.171494 logGD-logG0= -0.005299 tlogG= -0.024159 logG= -0.029458 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107815 ETOT(band)= -0.117029 trlgG= -0.147675 logG= -0.029458 TDE= -0.171570 logGD-logG0= -0.005074 tlogG= -0.023243 logG= -0.028317 Density= 0.108197 ETOT(band)= -0.116170 trlgG= -0.145842 logG= -0.028317 TDE= -0.171066 logGD-logG0= -0.005105 tlogG= -0.023632 logG= -0.028737 Density= 0.108205 ETOT(band)= -0.116393 trlgG= -0.146506 logG= -0.028737 TDE= -0.171314 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.023709 logG= -0.028973 Density= 0.107240 ETOT(band)= -0.116964 trlgG= -0.146814 logG= -0.028973 TDE= -0.170909 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107891 ETOT(band)= -0.116942 trlgG= -0.147551 logG= -0.029379 TDE= -0.171562 logGD-logG0= -0.004975 tlogG= -0.023668 logG= -0.028643 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.023993 logG= -0.029199 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107451 ETOT(band)= -0.117017 trlgG= -0.147211 logG= -0.029199 TDE= -0.171183 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106990 ETOT(band)= -0.116890 trlgG= -0.146262 logG= -0.028643 TDE= -0.170563 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004521 tlogG= -0.024069 logG= -0.028590 Density= 0.106404 ETOT(band)= -0.117108 trlgG= -0.146760 logG= -0.028590 TDE= -0.170824 logGD-logG0= -0.004656 tlogG= -0.023692 logG= -0.028349 logGD-logG0= -0.004971 tlogG= -0.024118 logG= -0.029089 Density= 0.107387 ETOT(band)= -0.116996 trlgG= -0.147107 logG= -0.029089 TDE= -0.171159 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004841 tlogG= -0.022875 logG= -0.027717 logGD-logG0= -0.004685 tlogG= -0.023712 logG= -0.028396 Density= 0.107755 ETOT(band)= -0.116056 trlgG= -0.144899 logG= -0.027717 TDE= -0.170505 Density= 0.106613 ETOT(band)= -0.116915 trlgG= -0.146345 logG= -0.028349 TDE= -0.170754 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.022901 logG= -0.027989 Density= 0.107624 ETOT(band)= -0.116260 trlgG= -0.145310 logG= -0.027989 TDE= -0.170579 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.022762 logG= -0.027769 Density= 0.108252 ETOT(band)= -0.115840 trlgG= -0.144975 logG= -0.027769 TDE= -0.170774 Density= 0.106988 ETOT(band)= -0.116801 trlgG= -0.146453 logG= -0.028396 TDE= -0.170999 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.024094 logG= -0.028952 Density= 0.107067 ETOT(band)= -0.117055 trlgG= -0.147130 logG= -0.028952 TDE= -0.171161 logGD-logG0= -0.005252 tlogG= -0.023897 logG= -0.029149 logGD-logG0= -0.004880 tlogG= -0.023918 logG= -0.028797 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107919 ETOT(band)= -0.116769 trlgG= -0.147167 logG= -0.029149 TDE= -0.171422 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106770 ETOT(band)= -0.117071 trlgG= -0.146874 logG= -0.028797 TDE= -0.170911 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004718 tlogG= -0.022877 logG= -0.027595 Density= 0.107308 ETOT(band)= -0.116197 trlgG= -0.145022 logG= -0.027595 TDE= -0.170528 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023223 logG= -0.028502 logGD-logG0= -0.009738 tlogG= -0.048294 logG= -0.058032 Density= 0.107689 ETOT(band)= -0.116509 trlgG= -0.146120 logG= -0.028502 TDE= -0.170909 Density= 0.214421 ETOT(band)= -0.234070 trlgG= -0.294338 logG= -0.058032 TDE= -0.342412 logGD-logG0= -0.005241 tlogG= -0.024085 logG= -0.029326 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107950 ETOT(band)= -0.116875 trlgG= -0.147463 logG= -0.029326 TDE= -0.171556 logGD-logG0= -0.009426 tlogG= -0.045811 logG= -0.055237 Density= 0.215037 ETOT(band)= -0.232231 trlgG= -0.289949 logG= -0.055237 TDE= -0.341122 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009603 tlogG= -0.047210 logG= -0.056813 Density= 0.213793 ETOT(band)= -0.233658 trlgG= -0.292757 logG= -0.056813 TDE= -0.341739 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007312 logG= -0.008996 Density= 0.035847 ETOT(band)= -0.038563 trlgG= -0.047900 logG= -0.008996 TDE= -0.056644 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.023606 logG= -0.028896 logGD-logG0= -0.009705 tlogG= -0.045641 logG= -0.055346 Density= 0.214388 ETOT(band)= -0.232577 trlgG= -0.290122 logG= -0.055346 TDE= -0.340866 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107805 ETOT(band)= -0.116672 trlgG= -0.146751 logG= -0.028896 TDE= -0.171202 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009764 tlogG= -0.047204 logG= -0.056969 Density= 0.213804 ETOT(band)= -0.233703 trlgG= -0.292549 logG= -0.056969 TDE= -0.341381 logGD-logG0= -0.001616 tlogG= -0.007001 logG= -0.008617 logGD-logG0= -0.009062 tlogG= -0.047679 logG= -0.056740 logGD-logG0= -0.009883 tlogG= -0.047951 logG= -0.057834 Density= 0.212958 ETOT(band)= -0.233952 trlgG= -0.292823 logG= -0.056740 TDE= -0.341465 logGD-logG0= -0.010415 tlogG= -0.048134 logG= -0.058549 Density= 0.215085 ETOT(band)= -0.234053 trlgG= -0.294686 logG= -0.058549 TDE= -0.342572 logGD-logG0= -0.010460 tlogG= -0.047799 logG= -0.058259 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214773 ETOT(band)= -0.233997 trlgG= -0.294173 logG= -0.058259 TDE= -0.342195 logGD-logG0= -0.009377 tlogG= -0.047498 logG= -0.056875 Density= 0.213992 ETOT(band)= -0.234106 trlgG= -0.294023 logG= -0.057834 TDE= -0.342083 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009490 tlogG= -0.047980 logG= -0.057470 Density= 0.214333 ETOT(band)= -0.233493 trlgG= -0.292891 logG= -0.056875 TDE= -0.342079 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213301 ETOT(band)= -0.234164 trlgG= -0.293469 logG= -0.057470 TDE= -0.341551 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010263 tlogG= -0.048033 logG= -0.058296 Density= 0.036197 ETOT(band)= -0.038116 trlgG= -0.047242 logG= -0.008617 TDE= -0.056536 Density= 0.215088 ETOT(band)= -0.233907 trlgG= -0.294270 logG= -0.058296 TDE= -0.342410 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.021593 logG= -0.026472 Density= 0.108516 ETOT(band)= -0.114847 trlgG= -0.142805 logG= -0.026472 TDE= -0.170032 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010480 tlogG= -0.047995 logG= -0.058475 logGD-logG0= -0.010007 tlogG= -0.048080 logG= -0.058087 Density= 0.215904 ETOT(band)= -0.233621 trlgG= -0.294627 logG= -0.058475 TDE= -0.342992 Density= 0.214550 ETOT(band)= -0.234018 trlgG= -0.294089 logG= -0.058087 TDE= -0.342171 logGD-logG0= -0.010324 tlogG= -0.047839 logG= -0.058163 Density= 0.214673 ETOT(band)= -0.233990 trlgG= -0.294003 logG= -0.058163 TDE= -0.342072 logGD-logG0= -0.010496 tlogG= -0.048068 logG= -0.058564 Density= 0.215121 ETOT(band)= -0.234044 trlgG= -0.294713 logG= -0.058564 TDE= -0.342602 logGD-logG0= -0.010554 tlogG= -0.047582 logG= -0.058136 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215710 ETOT(band)= -0.233504 trlgG= -0.294064 logG= -0.058136 TDE= -0.342672 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010123 tlogG= -0.047711 logG= -0.057834 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213972 ETOT(band)= -0.234093 trlgG= -0.293775 logG= -0.057834 TDE= -0.341825 logGD-logG0= -0.004799 tlogG= -0.021018 logG= -0.025817 Density= 0.108711 ETOT(band)= -0.114261 trlgG= -0.141650 logG= -0.025817 TDE= -0.169629 logGD-logG0= -0.009810 tlogG= -0.045701 logG= -0.055511 Density= 0.215168 ETOT(band)= -0.232308 trlgG= -0.289942 logG= -0.055511 TDE= -0.340907 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010350 tlogG= -0.047361 logG= -0.057711 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214283 ETOT(band)= -0.233888 trlgG= -0.293253 logG= -0.057711 TDE= -0.341580 logGD-logG0= -0.010122 tlogG= -0.046465 logG= -0.056587 logGD-logG0= -0.010609 tlogG= -0.048200 logG= -0.058808 Density= 0.215232 ETOT(band)= -0.232872 trlgG= -0.291576 logG= -0.056587 TDE= -0.341495 Density= 0.215435 ETOT(band)= -0.234072 trlgG= -0.295152 logG= -0.058808 TDE= -0.342952 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010535 tlogG= -0.047943 logG= -0.058478 Density= 0.215777 ETOT(band)= -0.233693 trlgG= -0.294628 logG= -0.058478 TDE= -0.342928 logGD-logG0= -0.002452 tlogG= -0.010854 logG= -0.013306 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054066 ETOT(band)= -0.057573 trlgG= -0.071530 logG= -0.013306 TDE= -0.084978 logGD-logG0= -0.010518 tlogG= -0.047476 logG= -0.057994 logGD-logG0= -0.009732 tlogG= -0.047276 logG= -0.057007 Density= 0.214498 ETOT(band)= -0.233455 trlgG= -0.292666 logG= -0.057007 TDE= -0.341803 Density= 0.215479 ETOT(band)= -0.233542 trlgG= -0.293821 logG= -0.057994 TDE= -0.342457 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010561 tlogG= -0.046934 logG= -0.057494 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215442 ETOT(band)= -0.233265 trlgG= -0.293021 logG= -0.057494 TDE= -0.342138 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010034 tlogG= -0.047205 logG= -0.057239 Density= 0.215166 ETOT(band)= -0.233274 trlgG= -0.292592 logG= -0.057239 TDE= -0.341828 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.021903 logG= -0.026868 Density= 0.108327 ETOT(band)= -0.115213 trlgG= -0.143483 logG= -0.026868 TDE= -0.170221 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005047 tlogG= -0.021843 logG= -0.026890 Density= 0.107797 ETOT(band)= -0.115499 trlgG= -0.143541 logG= -0.026890 TDE= -0.169994 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009970 tlogG= -0.043441 logG= -0.053411 Density= 0.216288 ETOT(band)= -0.230406 trlgG= -0.286444 logG= -0.053411 TDE= -0.340063 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004988 tlogG= -0.021720 logG= -0.026708 Density= 0.107939 ETOT(band)= -0.115307 trlgG= -0.143232 logG= -0.026708 TDE= -0.169938 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004271 tlogG= -0.024154 logG= -0.028425 Density= 0.212211 ETOT(band)= -0.234284 trlgG= -0.293620 logG= -0.028425 TDE= -0.170937 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004405 tlogG= -0.023763 logG= -0.028168 Density= 0.213121 ETOT(band)= -0.233502 trlgG= -0.291703 logG= -0.028168 TDE= -0.170739 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001424 tlogG= -0.007973 logG= -0.009397 Density= 0.070879 ETOT(band)= -0.077921 trlgG= -0.097431 logG= -0.009397 TDE= -0.056948 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005946 logG= -0.007217 Density= 0.080836 ETOT(band)= -0.087623 trlgG= -0.110347 logG= -0.007217 TDE= -0.042856 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004575 tlogG= -0.023914 logG= -0.028488 Density= 0.213312 ETOT(band)= -0.233780 trlgG= -0.292436 logG= -0.028488 TDE= -0.170744 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005626 logG= -0.006857 Density= 0.080843 ETOT(band)= -0.086943 trlgG= -0.108592 logG= -0.006857 TDE= -0.042661 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005862 logG= -0.007128 Density= 0.080654 ETOT(band)= -0.087586 trlgG= -0.110149 logG= -0.007128 TDE= -0.042802 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004461 tlogG= -0.023609 logG= -0.028070 Density= 0.212656 ETOT(band)= -0.233907 trlgG= -0.292675 logG= -0.028070 TDE= -0.170654 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001180 tlogG= -0.005178 logG= -0.006358 Density= 0.062547 ETOT(band)= -0.067522 trlgG= -0.084193 logG= -0.006358 TDE= -0.042350 logGD-logG0= -0.001198 tlogG= -0.005314 logG= -0.006513 Density= 0.081559 ETOT(band)= -0.085666 trlgG= -0.106200 logG= -0.006513 TDE= -0.042452 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001251 tlogG= -0.005755 logG= -0.007006 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080642 ETOT(band)= -0.087371 trlgG= -0.109594 logG= -0.007006 TDE= -0.042737 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005990 logG= -0.007260 Density= 0.081063 ETOT(band)= -0.087527 trlgG= -0.110402 logG= -0.007260 TDE= -0.042886 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.024028 logG= -0.029225 Density= 0.215695 ETOT(band)= -0.233792 trlgG= -0.294781 logG= -0.029225 TDE= -0.171538 logGD-logG0= -0.001573 tlogG= -0.006883 logG= -0.008456 Density= 0.040848 ETOT(band)= -0.042663 trlgG= -0.052793 logG= -0.008456 TDE= -0.056451 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022929 logG= -0.027870 logGD-logG0= -0.005161 tlogG= -0.024026 logG= -0.029188 Density= 0.214819 ETOT(band)= -0.232328 trlgG= -0.289641 logG= -0.027870 TDE= -0.170392 Density= 0.216360 ETOT(band)= -0.233279 trlgG= -0.294311 logG= -0.029188 TDE= -0.171556 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023509 logG= -0.028733 Density= 0.215229 ETOT(band)= -0.233259 trlgG= -0.292861 logG= -0.028733 TDE= -0.171129 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001564 tlogG= -0.007596 logG= -0.009160 Density= 0.071505 ETOT(band)= -0.077323 trlgG= -0.096138 logG= -0.009160 TDE= -0.056724 logGD-logG0= -0.005231 tlogG= -0.023826 logG= -0.029057 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215346 ETOT(band)= -0.233696 trlgG= -0.294126 logG= -0.029057 TDE= -0.171386 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004744 tlogG= -0.024031 logG= -0.028775 Density= 0.321596 ETOT(band)= -0.350998 trlgG= -0.441263 logG= -0.028775 TDE= -0.171186 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022317 logG= -0.027238 Density= 0.214287 ETOT(band)= -0.232365 trlgG= -0.289390 logG= -0.027238 TDE= -0.170128 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005047 tlogG= -0.023871 logG= -0.028918 Density= 0.215507 ETOT(band)= -0.233693 trlgG= -0.294229 logG= -0.028918 TDE= -0.171073 logGD-logG0= -0.010352 tlogG= -0.047840 logG= -0.058191 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324359 ETOT(band)= -0.349822 trlgG= -0.440964 logG= -0.058191 TDE= -0.342951 logGD-logG0= -0.005290 tlogG= -0.024148 logG= -0.029438 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215728 ETOT(band)= -0.233948 trlgG= -0.295196 logG= -0.029438 TDE= -0.171570 logGD-logG0= -0.005016 tlogG= -0.024188 logG= -0.029203 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322463 ETOT(band)= -0.351117 trlgG= -0.441946 logG= -0.029203 TDE= -0.171192 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.023982 logG= -0.029031 Density= 0.214360 ETOT(band)= -0.234022 trlgG= -0.293861 logG= -0.029031 TDE= -0.171024 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.022467 logG= -0.027557 logGD-logG0= -0.005155 tlogG= -0.023983 logG= -0.029138 Density= 0.216393 ETOT(band)= -0.233175 trlgG= -0.294079 logG= -0.029138 TDE= -0.171529 logGD-logG0= -0.005180 tlogG= -0.023442 logG= -0.028622 Density= 0.216380 ETOT(band)= -0.231223 trlgG= -0.288565 logG= -0.027557 TDE= -0.170529 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004656 tlogG= -0.023393 logG= -0.028048 Density= 0.321669 ETOT(band)= -0.349948 trlgG= -0.438685 logG= -0.028048 TDE= -0.170861 Density= 0.216205 ETOT(band)= -0.232595 trlgG= -0.292165 logG= -0.028622 TDE= -0.171149 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010634 tlogG= -0.048093 logG= -0.058727 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323263 ETOT(band)= -0.350887 trlgG= -0.442297 logG= -0.058727 TDE= -0.342942 logGD-logG0= -0.010397 tlogG= -0.047289 logG= -0.057686 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324144 ETOT(band)= -0.349453 trlgG= -0.439614 logG= -0.057686 TDE= -0.342560 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.023907 logG= -0.028795 Density= 0.213813 ETOT(band)= -0.233932 trlgG= -0.292948 logG= -0.028795 TDE= -0.170753 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023789 logG= -0.028963 Density= 0.216284 ETOT(band)= -0.232976 trlgG= -0.293374 logG= -0.028963 TDE= -0.171388 logGD-logG0= -0.004990 tlogG= -0.024182 logG= -0.029172 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214758 ETOT(band)= -0.234097 trlgG= -0.294479 logG= -0.029172 TDE= -0.171197 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023984 logG= -0.029307 logGD-logG0= -0.010121 tlogG= -0.045683 logG= -0.055804 Density= 0.324062 ETOT(band)= -0.347850 trlgG= -0.434907 logG= -0.055804 TDE= -0.341380 logGD-logG0= -0.005338 tlogG= -0.023924 logG= -0.029262 logGD-logG0= -0.004711 tlogG= -0.024032 logG= -0.028743 Density= 0.214143 ETOT(band)= -0.234010 trlgG= -0.294077 logG= -0.028743 TDE= -0.171190 Density= 0.215655 ETOT(band)= -0.233695 trlgG= -0.294509 logG= -0.029262 TDE= -0.171394 logGD-logG0= -0.005152 tlogG= -0.022995 logG= -0.028147 Density= 0.216234 ETOT(band)= -0.232021 trlgG= -0.290549 logG= -0.028147 TDE= -0.170863 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323674 ETOT(band)= -0.350563 trlgG= -0.442046 logG= -0.029307 TDE= -0.171442 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.023271 logG= -0.028272 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321733 ETOT(band)= -0.350457 trlgG= -0.439538 logG= -0.028272 TDE= -0.170816 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.023269 logG= -0.028024 Density= 0.213528 ETOT(band)= -0.233534 trlgG= -0.292166 logG= -0.028024 TDE= -0.170705 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.024110 logG= -0.029331 Density= 0.323079 ETOT(band)= -0.351094 trlgG= -0.442598 logG= -0.029331 TDE= -0.171383 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010393 tlogG= -0.046469 logG= -0.056862 Density= 0.324011 ETOT(band)= -0.348795 trlgG= -0.437526 logG= -0.056862 TDE= -0.342003 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004805 tlogG= -0.023861 logG= -0.028667 Density= 0.213600 ETOT(band)= -0.234069 trlgG= -0.293684 logG= -0.028667 TDE= -0.171008 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023396 logG= -0.028019 Density= 0.214207 ETOT(band)= -0.233297 trlgG= -0.292283 logG= -0.028019 TDE= -0.170869 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.023220 logG= -0.028361 Density= 0.214887 ETOT(band)= -0.232883 trlgG= -0.291171 logG= -0.028361 TDE= -0.170579 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009627 tlogG= -0.046656 logG= -0.056283 logGD-logG0= -0.005052 tlogG= -0.021907 logG= -0.026960 Density= 0.216635 ETOT(band)= -0.230225 trlgG= -0.286451 logG= -0.026960 TDE= -0.170189 Density= 0.322732 ETOT(band)= -0.348909 trlgG= -0.436333 logG= -0.056283 TDE= -0.341532 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009393 tlogG= -0.046760 logG= -0.056153 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427947 ETOT(band)= -0.465974 trlgG= -0.581735 logG= -0.056153 TDE= -0.341139 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005386 tlogG= -0.023710 logG= -0.029096 Density= 0.215420 ETOT(band)= -0.233545 trlgG= -0.293810 logG= -0.029096 TDE= -0.171216 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009446 tlogG= -0.046658 logG= -0.056104 logGD-logG0= -0.005406 tlogG= -0.023381 logG= -0.028788 logGD-logG0= -0.010087 tlogG= -0.048199 logG= -0.058286 Density= 0.428147 ETOT(band)= -0.466699 trlgG= -0.584344 logG= -0.056104 TDE= -0.341556 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429335 ETOT(band)= -0.468126 trlgG= -0.588517 logG= -0.058286 TDE= -0.342234 Density= 0.215122 ETOT(band)= -0.233285 trlgG= -0.292668 logG= -0.028788 TDE= -0.170923 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009583 tlogG= -0.047890 logG= -0.057472 Density= 0.428083 ETOT(band)= -0.468004 trlgG= -0.587739 logG= -0.057472 TDE= -0.342186 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008900 tlogG= -0.048143 logG= -0.057043 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425602 ETOT(band)= -0.468171 trlgG= -0.586338 logG= -0.057043 TDE= -0.341699 logGD-logG0= -0.010255 tlogG= -0.048008 logG= -0.058263 logGD-logG0= -0.010220 tlogG= -0.048273 logG= -0.058493 Density= 0.430065 ETOT(band)= -0.468134 trlgG= -0.589287 logG= -0.058493 TDE= -0.342446 logGD-logG0= -0.004549 tlogG= -0.023996 logG= -0.028545 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.047745 logG= -0.058448 Density= 0.429239 ETOT(band)= -0.468087 trlgG= -0.588160 logG= -0.058263 TDE= -0.342071 Density= 0.431113 ETOT(band)= -0.467338 trlgG= -0.588615 logG= -0.058448 TDE= -0.342696 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212841 ETOT(band)= -0.234187 trlgG= -0.293426 logG= -0.028545 TDE= -0.170792 logGD-logG0= -0.009759 tlogG= -0.047905 logG= -0.057664 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429172 ETOT(band)= -0.467788 trlgG= -0.587721 logG= -0.057664 TDE= -0.342175 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010430 tlogG= -0.048123 logG= -0.058553 Density= 0.430171 ETOT(band)= -0.467965 trlgG= -0.588960 logG= -0.058553 TDE= -0.342571 logGD-logG0= -0.010196 tlogG= -0.047719 logG= -0.057915 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428334 ETOT(band)= -0.467990 trlgG= -0.587072 logG= -0.057915 TDE= -0.341827 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.021379 logG= -0.026342 Density= 0.217026 ETOT(band)= -0.229120 trlgG= -0.284249 logG= -0.026342 TDE= -0.169858 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009545 tlogG= -0.047818 logG= -0.057364 Density= 0.427230 ETOT(band)= -0.467760 trlgG= -0.585718 logG= -0.057364 TDE= -0.341419 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047700 logG= -0.057291 Density= 0.426729 ETOT(band)= -0.468207 trlgG= -0.586861 logG= -0.057291 TDE= -0.341717 logGD-logG0= -0.004891 tlogG= -0.022497 logG= -0.027388 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215044 ETOT(band)= -0.231593 trlgG= -0.287998 logG= -0.027388 TDE= -0.170141 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001684 tlogG= -0.007126 logG= -0.008810 Density= 0.072233 ETOT(band)= -0.076459 trlgG= -0.094830 logG= -0.008810 TDE= -0.056611 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010599 tlogG= -0.047782 logG= -0.058381 Density= 0.430774 ETOT(band)= -0.467393 trlgG= -0.588252 logG= -0.058381 TDE= -0.342589 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.046983 logG= -0.057241 logGD-logG0= -0.009875 tlogG= -0.046451 logG= -0.056326 Density= 0.429572 ETOT(band)= -0.465415 trlgG= -0.581423 logG= -0.056326 TDE= -0.341252 logGD-logG0= -0.009939 tlogG= -0.047610 logG= -0.057549 Density= 0.429914 ETOT(band)= -0.466335 trlgG= -0.584121 logG= -0.057241 TDE= -0.341540 logGD-logG0= -0.010627 tlogG= -0.048071 logG= -0.058697 Density= 0.431351 ETOT(band)= -0.467622 trlgG= -0.589609 logG= -0.058697 TDE= -0.342960 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428650 ETOT(band)= -0.467335 trlgG= -0.586115 logG= -0.057549 TDE= -0.341872 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.022353 logG= -0.027162 Density= 0.322900 ETOT(band)= -0.347878 trlgG= -0.433944 logG= -0.027162 TDE= -0.170210 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010658 tlogG= -0.047321 logG= -0.057979 Density= 0.430508 ETOT(band)= -0.466966 trlgG= -0.586779 logG= -0.057979 TDE= -0.342205 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010183 tlogG= -0.047622 logG= -0.057805 Density= 0.430040 ETOT(band)= -0.466984 trlgG= -0.586052 logG= -0.057805 TDE= -0.341985 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.021330 logG= -0.026210 Density= 0.162652 ETOT(band)= -0.172942 trlgG= -0.215892 logG= -0.026210 TDE= -0.169845 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001218 tlogG= -0.005475 logG= -0.006693 Density= 0.081203 ETOT(band)= -0.086332 trlgG= -0.107357 logG= -0.006693 TDE= -0.042563 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009914 tlogG= -0.044674 logG= -0.054588 Density= 0.324304 ETOT(band)= -0.346580 trlgG= -0.431898 logG= -0.054588 TDE= -0.340703 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.022352 logG= -0.027120 Density= 0.215049 ETOT(band)= -0.231882 trlgG= -0.289042 logG= -0.027120 TDE= -0.170215 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009763 tlogG= -0.044676 logG= -0.054439 Density= 0.431637 ETOT(band)= -0.461951 trlgG= -0.574656 logG= -0.054439 TDE= -0.340338 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004922 tlogG= -0.021234 logG= -0.026156 Density= 0.216357 ETOT(band)= -0.229976 trlgG= -0.285502 logG= -0.026156 TDE= -0.169764 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.722666454553 eV TrLogG= -407.215520776252 eV Ratio to renormalize= 0.999950319428 rho-rho_expected= 0.001093026881 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964554184606695 0.940219058066044 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002320 tlogG= -0.011462 logG= -0.013783 Density= 0.053743 ETOT(band)= -0.058055 trlgG= -0.072491 logG= -0.013783 TDE= -0.085303 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.022201 logG= -0.027129 Density= 0.108366 ETOT(band)= -0.115405 trlgG= -0.143943 logG= -0.027129 TDE= -0.170439 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.023670 logG= -0.028645 Density= 0.106993 ETOT(band)= -0.116899 trlgG= -0.146274 logG= -0.028645 TDE= -0.170575 logGD-logG0= -0.005006 tlogG= -0.022765 logG= -0.027771 Density= 0.108255 ETOT(band)= -0.115848 trlgG= -0.144986 logG= -0.027771 TDE= -0.170785 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004683 tlogG= -0.023715 logG= -0.028399 Density= 0.106991 ETOT(band)= -0.116809 trlgG= -0.146465 logG= -0.028399 TDE= -0.171011 logGD-logG0= -0.005087 tlogG= -0.022904 logG= -0.027991 Density= 0.107627 ETOT(band)= -0.116268 trlgG= -0.145322 logG= -0.027991 TDE= -0.170590 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023226 logG= -0.028503 Density= 0.107693 ETOT(band)= -0.116517 trlgG= -0.146132 logG= -0.028503 TDE= -0.170920 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000854 logG= -0.001049 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007051 logGD-logG0= -0.004716 tlogG= -0.022881 logG= -0.027597 Density= 0.107311 ETOT(band)= -0.116206 trlgG= -0.145034 logG= -0.027597 TDE= -0.170540 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002590 tlogG= -0.012047 logG= -0.014637 Density= 0.053768 ETOT(band)= -0.058520 trlgG= -0.073675 logG= -0.014637 TDE= -0.085645 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002408 tlogG= -0.012096 logG= -0.014504 Density= 0.053590 ETOT(band)= -0.058530 trlgG= -0.073617 logG= -0.014504 TDE= -0.085632 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001478 tlogG= -0.007820 logG= -0.009298 Density= 0.035499 ETOT(band)= -0.038913 trlgG= -0.048599 logG= -0.009298 TDE= -0.056868 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.008053 logG= -0.009450 Density= 0.035321 ETOT(band)= -0.039063 trlgG= -0.048962 logG= -0.009450 TDE= -0.056991 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.022489 logG= -0.027499 Density= 0.108211 ETOT(band)= -0.115711 trlgG= -0.144550 logG= -0.027499 TDE= -0.170599 logGD-logG0= -0.002313 tlogG= -0.011898 logG= -0.014211 Density= 0.053568 ETOT(band)= -0.058385 trlgG= -0.073255 logG= -0.014211 TDE= -0.085553 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.023461 logG= -0.028582 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108137 ETOT(band)= -0.116354 trlgG= -0.146272 logG= -0.028582 TDE= -0.171201 logGD-logG0= -0.005079 tlogG= -0.023014 logG= -0.028092 Density= 0.108142 ETOT(band)= -0.116084 trlgG= -0.145497 logG= -0.028092 TDE= -0.170919 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002547 tlogG= -0.011999 logG= -0.014546 Density= 0.054140 ETOT(band)= -0.058284 trlgG= -0.073541 logG= -0.014546 TDE= -0.085786 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004297 tlogG= -0.024077 logG= -0.028374 logGD-logG0= -0.005114 tlogG= -0.023981 logG= -0.029094 logGD-logG0= -0.005126 tlogG= -0.023794 logG= -0.028921 Density= 0.108234 ETOT(band)= -0.116592 trlgG= -0.147087 logG= -0.029094 TDE= -0.171552 Density= 0.108183 ETOT(band)= -0.116517 trlgG= -0.146808 logG= -0.028921 TDE= -0.171422 logGD-logG0= -0.002616 tlogG= -0.012003 logG= -0.014619 Density= 0.053986 ETOT(band)= -0.058404 trlgG= -0.073661 logG= -0.014619 TDE= -0.085758 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106138 ETOT(band)= -0.117127 trlgG= -0.146761 logG= -0.028374 TDE= -0.170910 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024100 logG= -0.029355 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107652 ETOT(band)= -0.117041 trlgG= -0.147497 logG= -0.029355 TDE= -0.171413 logGD-logG0= -0.004520 tlogG= -0.024072 logG= -0.028592 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.023717 logG= -0.028523 Density= 0.106407 ETOT(band)= -0.117117 trlgG= -0.146772 logG= -0.028592 TDE= -0.170835 Density= 0.107390 ETOT(band)= -0.116693 trlgG= -0.146377 logG= -0.028523 TDE= -0.170996 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.024122 logG= -0.029091 Density= 0.107390 ETOT(band)= -0.117004 trlgG= -0.147119 logG= -0.029091 TDE= -0.171170 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004324 tlogG= -0.024000 logG= -0.028324 Density= 0.106190 ETOT(band)= -0.117083 trlgG= -0.146648 logG= -0.028324 TDE= -0.170872 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005262 tlogG= -0.023712 logG= -0.028975 Density= 0.107243 ETOT(band)= -0.116972 trlgG= -0.146826 logG= -0.028975 TDE= -0.170921 logGD-logG0= -0.005103 tlogG= -0.023636 logG= -0.028739 Density= 0.108209 ETOT(band)= -0.116401 trlgG= -0.146517 logG= -0.028739 TDE= -0.171325 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.023902 logG= -0.029003 Density= 0.108254 ETOT(band)= -0.116528 trlgG= -0.146938 logG= -0.029003 TDE= -0.171505 logGD-logG0= -0.005206 tlogG= -0.023996 logG= -0.029201 Density= 0.107455 ETOT(band)= -0.117026 trlgG= -0.147223 logG= -0.029201 TDE= -0.171195 logGD-logG0= -0.004840 tlogG= -0.022879 logG= -0.027718 logGD-logG0= -0.005288 tlogG= -0.023932 logG= -0.029219 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107760 ETOT(band)= -0.116908 trlgG= -0.147283 logG= -0.029219 TDE= -0.171389 logGD-logG0= -0.005296 tlogG= -0.024164 logG= -0.029460 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107819 ETOT(band)= -0.117037 trlgG= -0.147687 logG= -0.029460 TDE= -0.171581 Density= 0.107758 ETOT(band)= -0.116064 trlgG= -0.144911 logG= -0.027718 TDE= -0.170516 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.022437 logG= -0.027425 logGD-logG0= -0.005264 tlogG= -0.024117 logG= -0.029381 logGD-logG0= -0.005072 tlogG= -0.023247 logG= -0.028319 Density= 0.108200 ETOT(band)= -0.116178 trlgG= -0.145853 logG= -0.028319 TDE= -0.171078 Density= 0.107895 ETOT(band)= -0.116950 trlgG= -0.147563 logG= -0.029381 TDE= -0.171573 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107646 ETOT(band)= -0.115934 trlgG= -0.144426 logG= -0.027425 TDE= -0.170269 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.024098 logG= -0.028954 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107070 ETOT(band)= -0.117063 trlgG= -0.147142 logG= -0.028954 TDE= -0.171172 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004711 tlogG= -0.023527 logG= -0.028237 Density= 0.106790 ETOT(band)= -0.116779 trlgG= -0.145930 logG= -0.028237 TDE= -0.170537 logGD-logG0= -0.004879 tlogG= -0.023920 logG= -0.028799 Density= 0.106773 ETOT(band)= -0.117080 trlgG= -0.146886 logG= -0.028799 TDE= -0.170923 logGD-logG0= -0.004656 tlogG= -0.023695 logG= -0.028351 Density= 0.106615 ETOT(band)= -0.116924 trlgG= -0.146357 logG= -0.028351 TDE= -0.170765 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023901 logG= -0.029151 Density= 0.107923 ETOT(band)= -0.116777 trlgG= -0.147178 logG= -0.029151 TDE= -0.171433 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009735 tlogG= -0.048301 logG= -0.058036 Density= 0.214427 ETOT(band)= -0.234087 trlgG= -0.294361 logG= -0.058036 TDE= -0.342434 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024089 logG= -0.029328 Density= 0.107954 ETOT(band)= -0.116883 trlgG= -0.147475 logG= -0.029328 TDE= -0.171568 logGD-logG0= -0.005287 tlogG= -0.023610 logG= -0.028897 Density= 0.107808 ETOT(band)= -0.116680 trlgG= -0.146762 logG= -0.028897 TDE= -0.171214 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009600 tlogG= -0.047217 logG= -0.056817 logGD-logG0= -0.009702 tlogG= -0.045648 logG= -0.055349 Density= 0.213798 ETOT(band)= -0.233676 trlgG= -0.292781 logG= -0.056817 TDE= -0.341762 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214393 ETOT(band)= -0.232594 trlgG= -0.290146 logG= -0.055349 TDE= -0.340889 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009374 tlogG= -0.047505 logG= -0.056879 logGD-logG0= -0.009764 tlogG= -0.047209 logG= -0.056973 Density= 0.214339 ETOT(band)= -0.233510 trlgG= -0.292915 logG= -0.056879 TDE= -0.342102 Density= 0.213809 ETOT(band)= -0.233721 trlgG= -0.292573 logG= -0.056973 TDE= -0.341404 logGD-logG0= -0.009489 tlogG= -0.047985 logG= -0.057474 logGD-logG0= -0.010457 tlogG= -0.047805 logG= -0.058263 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213307 ETOT(band)= -0.234182 trlgG= -0.293493 logG= -0.057474 TDE= -0.341574 logGD-logG0= -0.009423 tlogG= -0.045818 logG= -0.055241 Density= 0.215043 ETOT(band)= -0.232248 trlgG= -0.289972 logG= -0.055241 TDE= -0.341145 logGD-logG0= -0.010413 tlogG= -0.048140 logG= -0.058553 Density= 0.215092 ETOT(band)= -0.234069 trlgG= -0.294710 logG= -0.058553 TDE= -0.342595 Density= 0.214780 ETOT(band)= -0.234014 trlgG= -0.294197 logG= -0.058263 TDE= -0.342219 logGD-logG0= -0.004599 tlogG= -0.023231 logG= -0.027831 logGD-logG0= -0.010261 tlogG= -0.048039 logG= -0.058300 logGD-logG0= -0.009880 tlogG= -0.047958 logG= -0.057838 Density= 0.213998 ETOT(band)= -0.234123 trlgG= -0.294047 logG= -0.057838 TDE= -0.342106 Density= 0.106754 ETOT(band)= -0.116587 trlgG= -0.145445 logG= -0.027831 TDE= -0.170441 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215094 ETOT(band)= -0.233924 trlgG= -0.294293 logG= -0.058300 TDE= -0.342433 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010321 tlogG= -0.047845 logG= -0.058167 Density= 0.214680 ETOT(band)= -0.234007 trlgG= -0.294027 logG= -0.058167 TDE= -0.342095 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007313 logG= -0.008996 Density= 0.035848 ETOT(band)= -0.038566 trlgG= -0.047904 logG= -0.008996 TDE= -0.056647 logGD-logG0= -0.010121 tlogG= -0.047717 logG= -0.057838 Density= 0.213978 ETOT(band)= -0.234110 trlgG= -0.293799 logG= -0.057838 TDE= -0.341848 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002390 tlogG= -0.010442 logG= -0.012832 Density= 0.054380 ETOT(band)= -0.057061 trlgG= -0.070690 logG= -0.012832 TDE= -0.084769 logGD-logG0= -0.010550 tlogG= -0.047590 logG= -0.058140 logGD-logG0= -0.001616 tlogG= -0.007002 logG= -0.008618 Density= 0.036198 ETOT(band)= -0.038119 trlgG= -0.047245 logG= -0.008618 TDE= -0.056540 Density= 0.215717 ETOT(band)= -0.233520 trlgG= -0.294087 logG= -0.058140 TDE= -0.342695 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009807 tlogG= -0.045708 logG= -0.055515 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010476 tlogG= -0.048003 logG= -0.058479 Density= 0.215174 ETOT(band)= -0.232324 trlgG= -0.289965 logG= -0.055515 TDE= -0.340929 logGD-logG0= -0.010494 tlogG= -0.048074 logG= -0.058568 Density= 0.215912 ETOT(band)= -0.233637 trlgG= -0.294650 logG= -0.058479 TDE= -0.343016 Density= 0.215128 ETOT(band)= -0.234061 trlgG= -0.294737 logG= -0.058568 TDE= -0.342625 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010349 tlogG= -0.047366 logG= -0.057715 logGD-logG0= -0.010004 tlogG= -0.048087 logG= -0.058091 Density= 0.214556 ETOT(band)= -0.234035 trlgG= -0.294112 logG= -0.058091 TDE= -0.342194 logGD-logG0= -0.010606 tlogG= -0.048206 logG= -0.058812 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214289 ETOT(band)= -0.233905 trlgG= -0.293277 logG= -0.057715 TDE= -0.341603 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215442 ETOT(band)= -0.234088 trlgG= -0.295176 logG= -0.058812 TDE= -0.342976 logGD-logG0= -0.009060 tlogG= -0.047684 logG= -0.056745 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212963 ETOT(band)= -0.233970 trlgG= -0.292848 logG= -0.056745 TDE= -0.341488 logGD-logG0= -0.010516 tlogG= -0.047482 logG= -0.057998 logGD-logG0= -0.002451 tlogG= -0.010855 logG= -0.013307 Density= 0.215486 ETOT(band)= -0.233559 trlgG= -0.293845 logG= -0.057998 TDE= -0.342480 logGD-logG0= -0.010120 tlogG= -0.046472 logG= -0.056591 Density= 0.054067 ETOT(band)= -0.057577 trlgG= -0.071535 logG= -0.013307 TDE= -0.084984 logGD-logG0= -0.010530 tlogG= -0.047951 logG= -0.058481 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215238 ETOT(band)= -0.232888 trlgG= -0.291599 logG= -0.056591 TDE= -0.341518 Density= 0.215784 ETOT(band)= -0.233709 trlgG= -0.294651 logG= -0.058481 TDE= -0.342951 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009729 tlogG= -0.047282 logG= -0.057011 Density= 0.214504 ETOT(band)= -0.233472 trlgG= -0.292690 logG= -0.057011 TDE= -0.341825 logGD-logG0= -0.010558 tlogG= -0.046939 logG= -0.057498 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215449 ETOT(band)= -0.233281 trlgG= -0.293044 logG= -0.057498 TDE= -0.342161 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.047211 logG= -0.057243 Density= 0.215173 ETOT(band)= -0.233290 trlgG= -0.292616 logG= -0.057243 TDE= -0.341851 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004686 tlogG= -0.023016 logG= -0.027702 Density= 0.106889 ETOT(band)= -0.116457 trlgG= -0.145183 logG= -0.027702 TDE= -0.170375 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.021596 logG= -0.026474 Density= 0.108520 ETOT(band)= -0.114855 trlgG= -0.142816 logG= -0.026474 TDE= -0.170043 logGD-logG0= -0.004963 tlogG= -0.021906 logG= -0.026870 Density= 0.108330 ETOT(band)= -0.115221 trlgG= -0.143494 logG= -0.026870 TDE= -0.170232 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004797 tlogG= -0.021021 logG= -0.025818 Density= 0.108714 ETOT(band)= -0.114268 trlgG= -0.141660 logG= -0.025818 TDE= -0.169639 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005045 tlogG= -0.021847 logG= -0.026892 Density= 0.107800 ETOT(band)= -0.115507 trlgG= -0.143552 logG= -0.026892 TDE= -0.170005 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004986 tlogG= -0.021723 logG= -0.026709 Density= 0.107942 ETOT(band)= -0.115315 trlgG= -0.143244 logG= -0.026709 TDE= -0.169949 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009967 tlogG= -0.043448 logG= -0.053415 Density= 0.216295 ETOT(band)= -0.230422 trlgG= -0.286466 logG= -0.053415 TDE= -0.340084 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001230 tlogG= -0.005627 logG= -0.006857 Density= 0.080846 ETOT(band)= -0.086949 trlgG= -0.108600 logG= -0.006857 TDE= -0.042663 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.022999 logG= -0.028149 Density= 0.216241 ETOT(band)= -0.232036 trlgG= -0.290572 logG= -0.028149 TDE= -0.170874 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.023910 logG= -0.028797 Density= 0.213819 ETOT(band)= -0.233949 trlgG= -0.292973 logG= -0.028797 TDE= -0.170764 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.022470 logG= -0.027559 logGD-logG0= -0.004622 tlogG= -0.023399 logG= -0.028021 Density= 0.214213 ETOT(band)= -0.233314 trlgG= -0.292307 logG= -0.028021 TDE= -0.170880 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216387 ETOT(band)= -0.231238 trlgG= -0.288587 logG= -0.027559 TDE= -0.170540 logGD-logG0= -0.005141 tlogG= -0.023222 logG= -0.028363 Density= 0.214893 ETOT(band)= -0.232900 trlgG= -0.291195 logG= -0.028363 TDE= -0.170590 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005405 tlogG= -0.023384 logG= -0.028790 Density= 0.215129 ETOT(band)= -0.233302 trlgG= -0.292691 logG= -0.028790 TDE= -0.170934 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005947 logG= -0.007217 Density= 0.080838 ETOT(band)= -0.087629 trlgG= -0.110356 logG= -0.007217 TDE= -0.042859 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005863 logG= -0.007129 Density= 0.080656 ETOT(band)= -0.087593 trlgG= -0.110158 logG= -0.007129 TDE= -0.042805 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005756 logG= -0.007006 Density= 0.080645 ETOT(band)= -0.087377 trlgG= -0.109602 logG= -0.007006 TDE= -0.042740 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005991 logG= -0.007260 Density= 0.081066 ETOT(band)= -0.087533 trlgG= -0.110410 logG= -0.007260 TDE= -0.042889 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.024032 logG= -0.029227 Density= 0.215703 ETOT(band)= -0.233809 trlgG= -0.294805 logG= -0.029227 TDE= -0.171550 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.023830 logG= -0.029059 Density= 0.215354 ETOT(band)= -0.233712 trlgG= -0.294149 logG= -0.029059 TDE= -0.171397 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001423 tlogG= -0.007974 logG= -0.009397 logGD-logG0= -0.005223 tlogG= -0.023512 logG= -0.028735 Density= 0.070881 ETOT(band)= -0.077927 trlgG= -0.097440 logG= -0.009397 TDE= -0.056952 Density= 0.215236 ETOT(band)= -0.233276 trlgG= -0.292885 logG= -0.028735 TDE= -0.171140 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.022356 logG= -0.027122 Density= 0.215054 ETOT(band)= -0.231899 trlgG= -0.289065 logG= -0.027122 TDE= -0.170226 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005159 tlogG= -0.024030 logG= -0.029189 Density= 0.216367 ETOT(band)= -0.233295 trlgG= -0.294333 logG= -0.029189 TDE= -0.171567 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.024035 logG= -0.028777 Density= 0.321605 ETOT(band)= -0.351023 trlgG= -0.441298 logG= -0.028777 TDE= -0.171197 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004270 tlogG= -0.024157 logG= -0.028428 Density= 0.212215 ETOT(band)= -0.234303 trlgG= -0.293645 logG= -0.028428 TDE= -0.170948 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.023874 logG= -0.028920 logGD-logG0= -0.005014 tlogG= -0.024191 logG= -0.029205 Density= 0.215514 ETOT(band)= -0.233709 trlgG= -0.294253 logG= -0.028920 TDE= -0.171085 Density= 0.322473 ETOT(band)= -0.351142 trlgG= -0.441981 logG= -0.029205 TDE= -0.171203 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.023986 logG= -0.029033 Density= 0.214366 ETOT(band)= -0.234039 trlgG= -0.293885 logG= -0.029033 TDE= -0.171035 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004548 tlogG= -0.023999 logG= -0.028547 logGD-logG0= -0.010118 tlogG= -0.045689 logG= -0.055807 Density= 0.324072 ETOT(band)= -0.347874 trlgG= -0.434940 logG= -0.055807 TDE= -0.341402 Density= 0.212846 ETOT(band)= -0.234205 trlgG= -0.293451 logG= -0.028547 TDE= -0.170803 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.023987 logG= -0.029139 logGD-logG0= -0.005288 tlogG= -0.024152 logG= -0.029440 logGD-logG0= -0.004988 tlogG= -0.024186 logG= -0.029174 Density= 0.214764 ETOT(band)= -0.234113 trlgG= -0.294503 logG= -0.029174 TDE= -0.171208 Density= 0.215735 ETOT(band)= -0.233965 trlgG= -0.295220 logG= -0.029440 TDE= -0.171581 Density= 0.216401 ETOT(band)= -0.233191 trlgG= -0.294101 logG= -0.029139 TDE= -0.171540 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010347 tlogG= -0.047848 logG= -0.058195 logGD-logG0= -0.004654 tlogG= -0.023396 logG= -0.028050 Density= 0.321677 ETOT(band)= -0.349974 trlgG= -0.438721 logG= -0.028050 TDE= -0.170872 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324370 ETOT(band)= -0.349846 trlgG= -0.440997 logG= -0.058195 TDE= -0.342974 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.023793 logG= -0.028964 Density= 0.216292 ETOT(band)= -0.232992 trlgG= -0.293396 logG= -0.028964 TDE= -0.171399 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010389 tlogG= -0.046477 logG= -0.056866 logGD-logG0= -0.004460 tlogG= -0.023612 logG= -0.028073 Density= 0.212660 ETOT(band)= -0.233925 trlgG= -0.292700 logG= -0.028073 TDE= -0.170666 Density= 0.324022 ETOT(band)= -0.348819 trlgG= -0.437560 logG= -0.056866 TDE= -0.342026 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001572 tlogG= -0.006885 logG= -0.008457 Density= 0.040849 ETOT(band)= -0.042666 trlgG= -0.052797 logG= -0.008457 TDE= -0.056454 logGD-logG0= -0.001180 tlogG= -0.005179 logG= -0.006359 Density= 0.062549 ETOT(band)= -0.067528 trlgG= -0.084200 logG= -0.006359 TDE= -0.042353 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010393 tlogG= -0.047297 logG= -0.057690 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004574 tlogG= -0.023917 logG= -0.028490 Density= 0.213317 ETOT(band)= -0.233798 trlgG= -0.292460 logG= -0.028490 TDE= -0.170755 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324155 ETOT(band)= -0.349477 trlgG= -0.439647 logG= -0.057690 TDE= -0.342583 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004709 tlogG= -0.024035 logG= -0.028745 logGD-logG0= -0.005178 tlogG= -0.023446 logG= -0.028624 Density= 0.216213 ETOT(band)= -0.232611 trlgG= -0.292188 logG= -0.028624 TDE= -0.171161 logGD-logG0= -0.005336 tlogG= -0.023928 logG= -0.029264 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214149 ETOT(band)= -0.234028 trlgG= -0.294101 logG= -0.028745 TDE= -0.171202 Density= 0.215663 ETOT(band)= -0.233711 trlgG= -0.294533 logG= -0.029264 TDE= -0.171405 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.023274 logG= -0.028274 logGD-logG0= -0.005219 tlogG= -0.024113 logG= -0.029333 Density= 0.323090 ETOT(band)= -0.351118 trlgG= -0.442634 logG= -0.029333 TDE= -0.171395 Density= 0.321742 ETOT(band)= -0.350482 trlgG= -0.439573 logG= -0.028274 TDE= -0.170827 logGD-logG0= -0.010631 tlogG= -0.048100 logG= -0.058731 Density= 0.323274 ETOT(band)= -0.350911 trlgG= -0.442332 logG= -0.058731 TDE= -0.342966 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004804 tlogG= -0.023865 logG= -0.028669 Density= 0.213605 ETOT(band)= -0.234086 trlgG= -0.293708 logG= -0.028669 TDE= -0.171020 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009624 tlogG= -0.046663 logG= -0.056287 logGD-logG0= -0.004940 tlogG= -0.022932 logG= -0.027872 Density= 0.214824 ETOT(band)= -0.232345 trlgG= -0.289664 logG= -0.027872 TDE= -0.170404 Density= 0.322741 ETOT(band)= -0.348934 trlgG= -0.436368 logG= -0.056287 TDE= -0.341555 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004753 tlogG= -0.023273 logG= -0.028026 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213533 ETOT(band)= -0.233552 trlgG= -0.292191 logG= -0.028026 TDE= -0.170716 logGD-logG0= -0.001563 tlogG= -0.007597 logG= -0.009160 Density= 0.071507 ETOT(band)= -0.077328 trlgG= -0.096146 logG= -0.009160 TDE= -0.056728 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.023988 logG= -0.029309 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323685 ETOT(band)= -0.350587 trlgG= -0.442081 logG= -0.029309 TDE= -0.171454 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.023715 logG= -0.029098 Density= 0.215427 ETOT(band)= -0.233562 trlgG= -0.293833 logG= -0.029098 TDE= -0.171228 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009391 tlogG= -0.046766 logG= -0.056157 Density= 0.427958 ETOT(band)= -0.466009 trlgG= -0.581783 logG= -0.056157 TDE= -0.341162 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010084 tlogG= -0.048206 logG= -0.058290 Density= 0.429348 ETOT(band)= -0.468159 trlgG= -0.588565 logG= -0.058290 TDE= -0.342256 logGD-logG0= -0.010253 tlogG= -0.048015 logG= -0.058267 Density= 0.429252 ETOT(band)= -0.468120 trlgG= -0.588208 logG= -0.058267 TDE= -0.342095 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009443 tlogG= -0.046665 logG= -0.056108 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428158 ETOT(band)= -0.466733 trlgG= -0.584392 logG= -0.056108 TDE= -0.341579 logGD-logG0= -0.009580 tlogG= -0.047897 logG= -0.057477 Density= 0.428095 ETOT(band)= -0.468039 trlgG= -0.587787 logG= -0.057477 TDE= -0.342209 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010194 tlogG= -0.047725 logG= -0.057919 Density= 0.428346 ETOT(band)= -0.468024 trlgG= -0.587120 logG= -0.057919 TDE= -0.341850 logGD-logG0= -0.010698 tlogG= -0.047754 logG= -0.058451 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010428 tlogG= -0.048129 logG= -0.058557 Density= 0.431127 ETOT(band)= -0.467371 trlgG= -0.588661 logG= -0.058451 TDE= -0.342719 Density= 0.430185 ETOT(band)= -0.467998 trlgG= -0.589008 logG= -0.058557 TDE= -0.342595 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009544 tlogG= -0.047824 logG= -0.057368 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427241 ETOT(band)= -0.467796 trlgG= -0.585766 logG= -0.057368 TDE= -0.341442 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010596 tlogG= -0.047788 logG= -0.058385 logGD-logG0= -0.004879 tlogG= -0.021333 logG= -0.026211 Density= 0.162658 ETOT(band)= -0.172954 trlgG= -0.215908 logG= -0.026211 TDE= -0.169855 logGD-logG0= -0.010217 tlogG= -0.048280 logG= -0.058497 Density= 0.430079 ETOT(band)= -0.468168 trlgG= -0.589335 logG= -0.058497 TDE= -0.342469 logGD-logG0= -0.009590 tlogG= -0.047705 logG= -0.057295 Density= 0.426739 ETOT(band)= -0.468243 trlgG= -0.586911 logG= -0.057295 TDE= -0.341740 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430789 ETOT(band)= -0.467425 trlgG= -0.588299 logG= -0.058385 TDE= -0.342612 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009756 tlogG= -0.047911 logG= -0.057668 Density= 0.429185 ETOT(band)= -0.467821 trlgG= -0.587768 logG= -0.057668 TDE= -0.342197 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.048079 logG= -0.058701 Density= 0.431366 ETOT(band)= -0.467654 trlgG= -0.589655 logG= -0.058701 TDE= -0.342984 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009872 tlogG= -0.046458 logG= -0.056330 Density= 0.429584 ETOT(band)= -0.465449 trlgG= -0.581469 logG= -0.056330 TDE= -0.341275 logGD-logG0= -0.010256 tlogG= -0.046989 logG= -0.057245 Density= 0.429927 ETOT(band)= -0.466368 trlgG= -0.584169 logG= -0.057245 TDE= -0.341563 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009937 tlogG= -0.047617 logG= -0.057553 Density= 0.428662 ETOT(band)= -0.467369 trlgG= -0.586162 logG= -0.057553 TDE= -0.341895 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.047327 logG= -0.057983 Density= 0.430521 ETOT(band)= -0.466999 trlgG= -0.586826 logG= -0.057983 TDE= -0.342228 logGD-logG0= -0.001198 tlogG= -0.005315 logG= -0.006513 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081562 ETOT(band)= -0.085671 trlgG= -0.106207 logG= -0.006513 TDE= -0.042455 logGD-logG0= -0.010181 tlogG= -0.047628 logG= -0.057809 Density= 0.430054 ETOT(band)= -0.467017 trlgG= -0.586099 logG= -0.057809 TDE= -0.342008 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008899 tlogG= -0.048149 logG= -0.057047 Density= 0.425612 ETOT(band)= -0.468208 trlgG= -0.586387 logG= -0.057047 TDE= -0.341721 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.022499 logG= -0.027390 Density= 0.215049 ETOT(band)= -0.231610 trlgG= -0.288021 logG= -0.027390 TDE= -0.170152 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001217 tlogG= -0.005476 logG= -0.006693 Density= 0.081206 ETOT(band)= -0.086338 trlgG= -0.107365 logG= -0.006693 TDE= -0.042566 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009911 tlogG= -0.044681 logG= -0.054592 Density= 0.324314 ETOT(band)= -0.346604 trlgG= -0.431932 logG= -0.054592 TDE= -0.340725 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007127 logG= -0.008811 Density= 0.072235 ETOT(band)= -0.076465 trlgG= -0.094837 logG= -0.008811 TDE= -0.056614 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004807 tlogG= -0.022356 logG= -0.027163 Density= 0.322909 ETOT(band)= -0.347903 trlgG= -0.433978 logG= -0.027163 TDE= -0.170221 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.021911 logG= -0.026961 Density= 0.216642 ETOT(band)= -0.230241 trlgG= -0.286472 logG= -0.026961 TDE= -0.170200 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004404 tlogG= -0.023766 logG= -0.028170 Density= 0.213125 ETOT(band)= -0.233520 trlgG= -0.291728 logG= -0.028170 TDE= -0.170751 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.021382 logG= -0.026344 Density= 0.217033 ETOT(band)= -0.229135 trlgG= -0.284270 logG= -0.026344 TDE= -0.169868 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004920 tlogG= -0.021238 logG= -0.026157 Density= 0.216363 ETOT(band)= -0.229992 trlgG= -0.285523 logG= -0.026157 TDE= -0.169775 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004919 tlogG= -0.022321 logG= -0.027240 Density= 0.214292 ETOT(band)= -0.232382 trlgG= -0.289414 logG= -0.027240 TDE= -0.170139 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009760 tlogG= -0.044683 logG= -0.054442 Density= 0.431649 ETOT(band)= -0.461984 trlgG= -0.574700 logG= -0.054442 TDE= -0.340360 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.745985515802 eV TrLogG= -407.252526723423 eV Ratio to renormalize= 0.999920571309 rho-rho_expected= 0.001747570004 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964582523919544 0.940277961192151 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001477 tlogG= -0.007821 logG= -0.009298 Density= 0.035500 ETOT(band)= -0.038916 trlgG= -0.048603 logG= -0.009298 TDE= -0.056872 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004295 tlogG= -0.024080 logG= -0.028375 Density= 0.106141 ETOT(band)= -0.117136 trlgG= -0.146773 logG= -0.028375 TDE= -0.170922 logGD-logG0= -0.004322 tlogG= -0.024003 logG= -0.028325 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106192 ETOT(band)= -0.117093 trlgG= -0.146660 logG= -0.028325 TDE= -0.170885 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004709 tlogG= -0.023529 logG= -0.028238 Density= 0.106793 ETOT(band)= -0.116787 trlgG= -0.145941 logG= -0.028238 TDE= -0.170549 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002389 tlogG= -0.010443 logG= -0.012832 Density= 0.054382 ETOT(band)= -0.057065 trlgG= -0.070694 logG= -0.012832 TDE= -0.084774 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001615 tlogG= -0.007003 logG= -0.008618 Density= 0.036199 ETOT(band)= -0.038121 trlgG= -0.047248 logG= -0.008618 TDE= -0.056544 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004875 tlogG= -0.021598 logG= -0.026473 Density= 0.108524 ETOT(band)= -0.114862 trlgG= -0.142824 logG= -0.026473 TDE= -0.170054 logGD-logG0= -0.004795 tlogG= -0.021023 logG= -0.025818 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108719 ETOT(band)= -0.114275 trlgG= -0.141668 logG= -0.025818 TDE= -0.169650 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002590 tlogG= -0.012048 logG= -0.014637 Density= 0.053770 ETOT(band)= -0.058524 trlgG= -0.073681 logG= -0.014637 TDE= -0.085651 logGD-logG0= -0.002407 tlogG= -0.012098 logG= -0.014505 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053592 ETOT(band)= -0.058534 trlgG= -0.073623 logG= -0.014505 TDE= -0.085638 logGD-logG0= -0.000195 tlogG= -0.000854 logG= -0.001049 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011463 logG= -0.013783 Density= 0.053745 ETOT(band)= -0.058059 trlgG= -0.072497 logG= -0.013783 TDE= -0.085309 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002312 tlogG= -0.011899 logG= -0.014211 Density= 0.053570 ETOT(band)= -0.058389 trlgG= -0.073260 logG= -0.014211 TDE= -0.085559 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001396 tlogG= -0.008054 logG= -0.009450 Density= 0.035321 ETOT(band)= -0.039066 trlgG= -0.048966 logG= -0.009450 TDE= -0.056995 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002545 tlogG= -0.012001 logG= -0.014546 Density= 0.054142 ETOT(band)= -0.058287 trlgG= -0.073546 logG= -0.014546 TDE= -0.085792 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023797 logG= -0.028921 Density= 0.108188 ETOT(band)= -0.116524 trlgG= -0.146818 logG= -0.028921 TDE= -0.171434 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.023464 logG= -0.028582 Density= 0.108142 ETOT(band)= -0.116362 trlgG= -0.146281 logG= -0.028582 TDE= -0.171213 logGD-logG0= -0.005111 tlogG= -0.023984 logG= -0.029094 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108239 ETOT(band)= -0.116599 trlgG= -0.147096 logG= -0.029094 TDE= -0.171564 logGD-logG0= -0.002614 tlogG= -0.012005 logG= -0.014619 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053989 ETOT(band)= -0.058408 trlgG= -0.073666 logG= -0.014619 TDE= -0.085764 logGD-logG0= -0.004925 tlogG= -0.022204 logG= -0.027129 Density= 0.108370 ETOT(band)= -0.115412 trlgG= -0.143952 logG= -0.027129 TDE= -0.170449 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.024103 logG= -0.029356 Density= 0.107656 ETOT(band)= -0.117049 trlgG= -0.147508 logG= -0.029356 TDE= -0.171425 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004519 tlogG= -0.024074 logG= -0.028593 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106410 ETOT(band)= -0.117126 trlgG= -0.146784 logG= -0.028593 TDE= -0.170847 logGD-logG0= -0.004598 tlogG= -0.023234 logG= -0.027831 logGD-logG0= -0.005076 tlogG= -0.023016 logG= -0.028093 Density= 0.106757 ETOT(band)= -0.116596 trlgG= -0.145456 logG= -0.027831 TDE= -0.170453 Density= 0.108146 ETOT(band)= -0.116091 trlgG= -0.145506 logG= -0.028093 TDE= -0.170930 logGD-logG0= -0.004967 tlogG= -0.024124 logG= -0.029092 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107394 ETOT(band)= -0.117012 trlgG= -0.147129 logG= -0.029092 TDE= -0.171182 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.023639 logG= -0.028739 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.024121 logG= -0.029382 Density= 0.108214 ETOT(band)= -0.116408 trlgG= -0.146526 logG= -0.028739 TDE= -0.171337 logGD-logG0= -0.005293 tlogG= -0.024167 logG= -0.029460 logGD-logG0= -0.005286 tlogG= -0.023934 logG= -0.029220 Density= 0.107900 ETOT(band)= -0.116958 trlgG= -0.147573 logG= -0.029382 TDE= -0.171585 Density= 0.107823 ETOT(band)= -0.117045 trlgG= -0.147698 logG= -0.029460 TDE= -0.171594 Density= 0.107764 ETOT(band)= -0.116915 trlgG= -0.147293 logG= -0.029220 TDE= -0.171400 logGD-logG0= -0.004838 tlogG= -0.022881 logG= -0.027719 Density= 0.107762 ETOT(band)= -0.116072 trlgG= -0.144921 logG= -0.027719 TDE= -0.170528 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023998 logG= -0.029202 Density= 0.107459 ETOT(band)= -0.117034 trlgG= -0.147233 logG= -0.029202 TDE= -0.171207 logGD-logG0= -0.005261 tlogG= -0.023715 logG= -0.028976 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022768 logG= -0.027771 Density= 0.108259 ETOT(band)= -0.115855 trlgG= -0.144995 logG= -0.027771 TDE= -0.170796 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.023672 logG= -0.028645 Density= 0.106996 ETOT(band)= -0.116907 trlgG= -0.146285 logG= -0.028645 TDE= -0.170587 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.023250 logG= -0.028319 Density= 0.107247 ETOT(band)= -0.116980 trlgG= -0.146837 logG= -0.028976 TDE= -0.170933 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108205 ETOT(band)= -0.116185 trlgG= -0.145863 logG= -0.028319 TDE= -0.171089 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004654 tlogG= -0.023697 logG= -0.028352 logGD-logG0= -0.005098 tlogG= -0.023905 logG= -0.029003 Density= 0.106618 ETOT(band)= -0.116933 trlgG= -0.146369 logG= -0.028352 TDE= -0.170777 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108259 ETOT(band)= -0.116535 trlgG= -0.146947 logG= -0.029003 TDE= -0.171516 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004681 tlogG= -0.023718 logG= -0.028399 logGD-logG0= -0.005085 tlogG= -0.022906 logG= -0.027992 Density= 0.107631 ETOT(band)= -0.116276 trlgG= -0.145332 logG= -0.027992 TDE= -0.170601 Density= 0.106994 ETOT(band)= -0.116818 trlgG= -0.146476 logG= -0.028399 TDE= -0.171023 logGD-logG0= -0.004804 tlogG= -0.023720 logG= -0.028523 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107394 ETOT(band)= -0.116701 trlgG= -0.146387 logG= -0.028523 TDE= -0.171008 logGD-logG0= -0.004879 tlogG= -0.023922 logG= -0.028800 Density= 0.106776 ETOT(band)= -0.117089 trlgG= -0.146897 logG= -0.028800 TDE= -0.170935 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.022439 logG= -0.027426 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107650 ETOT(band)= -0.115942 trlgG= -0.144436 logG= -0.027426 TDE= -0.170280 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023228 logG= -0.028504 Density= 0.107697 ETOT(band)= -0.116525 trlgG= -0.146142 logG= -0.028504 TDE= -0.170932 logGD-logG0= -0.005247 tlogG= -0.023904 logG= -0.029151 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107927 ETOT(band)= -0.116784 trlgG= -0.147188 logG= -0.029151 TDE= -0.171445 logGD-logG0= -0.004714 tlogG= -0.022883 logG= -0.027597 Density= 0.107314 ETOT(band)= -0.116214 trlgG= -0.145045 logG= -0.027597 TDE= -0.170552 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004854 tlogG= -0.024100 logG= -0.028955 logGD-logG0= -0.009731 tlogG= -0.048307 logG= -0.058038 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214434 ETOT(band)= -0.234104 trlgG= -0.294383 logG= -0.058038 TDE= -0.342458 Density= 0.107073 ETOT(band)= -0.117072 trlgG= -0.147153 logG= -0.028955 TDE= -0.171184 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009419 tlogG= -0.045823 logG= -0.055242 Density= 0.215050 ETOT(band)= -0.232264 trlgG= -0.289993 logG= -0.055242 TDE= -0.341168 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009058 tlogG= -0.047689 logG= -0.056746 Density= 0.212969 ETOT(band)= -0.233988 trlgG= -0.292871 logG= -0.056746 TDE= -0.341512 logGD-logG0= -0.005236 tlogG= -0.024092 logG= -0.029328 logGD-logG0= -0.009698 tlogG= -0.045653 logG= -0.055350 Density= 0.214399 ETOT(band)= -0.232611 trlgG= -0.290167 logG= -0.055350 TDE= -0.340912 Density= 0.107958 ETOT(band)= -0.116891 trlgG= -0.147485 logG= -0.029328 TDE= -0.171580 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009596 tlogG= -0.047222 logG= -0.056818 Density= 0.213805 ETOT(band)= -0.233693 trlgG= -0.292803 logG= -0.056818 TDE= -0.341786 logGD-logG0= -0.009487 tlogG= -0.047989 logG= -0.057476 Density= 0.213313 ETOT(band)= -0.234200 trlgG= -0.293517 logG= -0.057476 TDE= -0.341598 logGD-logG0= -0.010410 tlogG= -0.048145 logG= -0.058554 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.047810 logG= -0.058264 Density= 0.214788 ETOT(band)= -0.234030 trlgG= -0.294219 logG= -0.058264 TDE= -0.342243 Density= 0.215100 ETOT(band)= -0.234085 trlgG= -0.294731 logG= -0.058554 TDE= -0.342619 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009762 tlogG= -0.047213 logG= -0.056975 Density= 0.213815 ETOT(band)= -0.233738 trlgG= -0.292596 logG= -0.056975 TDE= -0.341428 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009370 tlogG= -0.047510 logG= -0.056880 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214346 ETOT(band)= -0.233527 trlgG= -0.292936 logG= -0.056880 TDE= -0.342125 logGD-logG0= -0.005284 tlogG= -0.023613 logG= -0.028898 Density= 0.107813 ETOT(band)= -0.116687 trlgG= -0.146772 logG= -0.028898 TDE= -0.171226 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009803 tlogG= -0.045712 logG= -0.055516 logGD-logG0= -0.010318 tlogG= -0.047850 logG= -0.058168 Density= 0.215181 ETOT(band)= -0.232341 trlgG= -0.289985 logG= -0.055516 TDE= -0.340952 Density= 0.214688 ETOT(band)= -0.234023 trlgG= -0.294049 logG= -0.058168 TDE= -0.342119 logGD-logG0= -0.010001 tlogG= -0.048092 logG= -0.058093 Density= 0.214564 ETOT(band)= -0.234052 trlgG= -0.294133 logG= -0.058093 TDE= -0.342217 logGD-logG0= -0.010118 tlogG= -0.047722 logG= -0.057840 logGD-logG0= -0.010470 tlogG= -0.048009 logG= -0.058479 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215921 ETOT(band)= -0.233652 trlgG= -0.294670 logG= -0.058479 TDE= -0.343039 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213985 ETOT(band)= -0.234127 trlgG= -0.293821 logG= -0.057840 TDE= -0.341872 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048079 logG= -0.058569 Density= 0.215137 ETOT(band)= -0.234076 trlgG= -0.294759 logG= -0.058569 TDE= -0.342650 logGD-logG0= -0.010257 tlogG= -0.048043 logG= -0.058301 Density= 0.215103 ETOT(band)= -0.233940 trlgG= -0.294315 logG= -0.058301 TDE= -0.342458 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010347 tlogG= -0.047370 logG= -0.057716 logGD-logG0= -0.010544 tlogG= -0.047597 logG= -0.058141 Density= 0.215726 ETOT(band)= -0.233535 trlgG= -0.294107 logG= -0.058141 TDE= -0.342718 logGD-logG0= -0.001682 tlogG= -0.007314 logG= -0.008996 Density= 0.214296 ETOT(band)= -0.233921 trlgG= -0.293299 logG= -0.057716 TDE= -0.341627 logGD-logG0= -0.004684 tlogG= -0.023018 logG= -0.027702 Density= 0.106892 ETOT(band)= -0.116465 trlgG= -0.145194 logG= -0.027702 TDE= -0.170387 Density= 0.035849 ETOT(band)= -0.038569 trlgG= -0.047907 logG= -0.008996 TDE= -0.056651 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010514 tlogG= -0.047486 logG= -0.057999 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215495 ETOT(band)= -0.233574 trlgG= -0.293865 logG= -0.057999 TDE= -0.342504 logGD-logG0= -0.010603 tlogG= -0.048210 logG= -0.058813 Density= 0.215451 ETOT(band)= -0.234104 trlgG= -0.295197 logG= -0.058813 TDE= -0.343000 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047958 logG= -0.058482 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215793 ETOT(band)= -0.233724 trlgG= -0.294671 logG= -0.058482 TDE= -0.342975 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.046943 logG= -0.057499 Density= 0.215458 ETOT(band)= -0.233297 trlgG= -0.293064 logG= -0.057499 TDE= -0.342185 logGD-logG0= -0.009725 tlogG= -0.047288 logG= -0.057013 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214511 ETOT(band)= -0.233489 trlgG= -0.292711 logG= -0.057013 TDE= -0.341849 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010028 tlogG= -0.047216 logG= -0.057244 Density= 0.215181 ETOT(band)= -0.233306 trlgG= -0.292636 logG= -0.057244 TDE= -0.341875 logGD-logG0= -0.002450 tlogG= -0.010856 logG= -0.013307 Density= 0.054069 ETOT(band)= -0.057581 trlgG= -0.071540 logG= -0.013307 TDE= -0.084989 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.021909 logG= -0.026870 Density= 0.108334 ETOT(band)= -0.115228 trlgG= -0.143503 logG= -0.026870 TDE= -0.170242 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005043 tlogG= -0.021849 logG= -0.026892 Density= 0.107803 ETOT(band)= -0.115515 trlgG= -0.143562 logG= -0.026892 TDE= -0.170016 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010116 tlogG= -0.046476 logG= -0.056592 Density= 0.215246 ETOT(band)= -0.232904 trlgG= -0.291619 logG= -0.056592 TDE= -0.341541 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.021726 logG= -0.026709 Density= 0.107945 ETOT(band)= -0.115323 trlgG= -0.143253 logG= -0.026709 TDE= -0.169960 logGD-logG0= -0.009962 tlogG= -0.043452 logG= -0.053414 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216302 ETOT(band)= -0.230437 trlgG= -0.286484 logG= -0.053414 TDE= -0.340106 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001423 tlogG= -0.007975 logG= -0.009398 Density= 0.070882 ETOT(band)= -0.077933 trlgG= -0.097448 logG= -0.009398 TDE= -0.056956 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004269 tlogG= -0.024160 logG= -0.028429 Density= 0.212220 ETOT(band)= -0.234323 trlgG= -0.293670 logG= -0.028429 TDE= -0.170961 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004458 tlogG= -0.023615 logG= -0.028073 Density= 0.212665 ETOT(band)= -0.233944 trlgG= -0.292724 logG= -0.028073 TDE= -0.170678 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004573 tlogG= -0.023919 logG= -0.028491 Density= 0.213323 ETOT(band)= -0.233816 trlgG= -0.292483 logG= -0.028491 TDE= -0.170767 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.022491 logG= -0.027499 Density= 0.108215 ETOT(band)= -0.115718 trlgG= -0.144559 logG= -0.027499 TDE= -0.170610 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009876 tlogG= -0.047963 logG= -0.057839 Density= 0.214005 ETOT(band)= -0.234140 trlgG= -0.294069 logG= -0.057839 TDE= -0.342130 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007128 logG= -0.008811 Density= 0.072237 ETOT(band)= -0.076469 trlgG= -0.094843 logG= -0.008811 TDE= -0.056618 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005316 logG= -0.006513 Density= 0.081565 ETOT(band)= -0.085677 trlgG= -0.106213 logG= -0.006513 TDE= -0.042457 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005048 tlogG= -0.021913 logG= -0.026961 Density= 0.216650 ETOT(band)= -0.230256 trlgG= -0.286490 logG= -0.026961 TDE= -0.170211 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021385 logG= -0.026343 Density= 0.217041 ETOT(band)= -0.229150 trlgG= -0.284287 logG= -0.026343 TDE= -0.169879 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001250 tlogG= -0.005756 logG= -0.007006 Density= 0.080648 ETOT(band)= -0.087383 trlgG= -0.109610 logG= -0.007006 TDE= -0.042743 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005628 logG= -0.006857 Density= 0.080848 ETOT(band)= -0.086955 trlgG= -0.108608 logG= -0.006857 TDE= -0.042666 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005947 logG= -0.007217 Density= 0.080842 ETOT(band)= -0.087635 trlgG= -0.110363 logG= -0.007217 TDE= -0.042862 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005864 logG= -0.007129 Density= 0.080659 ETOT(band)= -0.087599 trlgG= -0.110165 logG= -0.007129 TDE= -0.042808 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005992 logG= -0.007260 Density= 0.081069 ETOT(band)= -0.087539 trlgG= -0.110418 logG= -0.007260 TDE= -0.042892 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.024035 logG= -0.029227 Density= 0.215712 ETOT(band)= -0.233824 trlgG= -0.294825 logG= -0.029227 TDE= -0.171561 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.022472 logG= -0.027559 Density= 0.216394 ETOT(band)= -0.231253 trlgG= -0.288605 logG= -0.027559 TDE= -0.170551 logGD-logG0= -0.005226 tlogG= -0.023833 logG= -0.029059 Density= 0.215362 ETOT(band)= -0.233728 trlgG= -0.294169 logG= -0.029059 TDE= -0.171409 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004547 tlogG= -0.024001 logG= -0.028548 Density= 0.212852 ETOT(band)= -0.234223 trlgG= -0.293474 logG= -0.028548 TDE= -0.170815 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023002 logG= -0.028149 logGD-logG0= -0.005046 tlogG= -0.023988 logG= -0.029034 Density= 0.214374 ETOT(band)= -0.234055 trlgG= -0.293907 logG= -0.029034 TDE= -0.171047 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216250 ETOT(band)= -0.232051 trlgG= -0.290591 logG= -0.028149 TDE= -0.170885 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023449 logG= -0.028624 logGD-logG0= -0.004887 tlogG= -0.023911 logG= -0.028798 Density= 0.213825 ETOT(band)= -0.233967 trlgG= -0.292995 logG= -0.028798 TDE= -0.170776 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216222 ETOT(band)= -0.232626 trlgG= -0.292207 logG= -0.028624 TDE= -0.171172 logGD-logG0= -0.005156 tlogG= -0.024033 logG= -0.029189 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216377 ETOT(band)= -0.233309 trlgG= -0.294352 logG= -0.029189 TDE= -0.171579 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.023276 logG= -0.028026 Density= 0.213539 ETOT(band)= -0.233570 trlgG= -0.292213 logG= -0.028026 TDE= -0.170728 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023514 logG= -0.028735 Density= 0.215244 ETOT(band)= -0.233292 trlgG= -0.292905 logG= -0.028735 TDE= -0.171152 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023868 logG= -0.028670 Density= 0.213612 ETOT(band)= -0.234104 trlgG= -0.293731 logG= -0.028670 TDE= -0.171032 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004620 tlogG= -0.023402 logG= -0.028022 Density= 0.214220 ETOT(band)= -0.233331 trlgG= -0.292329 logG= -0.028022 TDE= -0.170892 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.024037 logG= -0.028778 logGD-logG0= -0.005404 tlogG= -0.023386 logG= -0.028790 Density= 0.215137 ETOT(band)= -0.233318 trlgG= -0.292712 logG= -0.028790 TDE= -0.170946 Density= 0.321616 ETOT(band)= -0.351049 trlgG= -0.441331 logG= -0.028778 TDE= -0.171209 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.024156 logG= -0.029441 logGD-logG0= -0.005012 tlogG= -0.024194 logG= -0.029206 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215744 ETOT(band)= -0.233980 trlgG= -0.295240 logG= -0.029441 TDE= -0.171594 Density= 0.322485 ETOT(band)= -0.351166 trlgG= -0.442013 logG= -0.029206 TDE= -0.171215 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023224 logG= -0.028364 Density= 0.214900 ETOT(band)= -0.232916 trlgG= -0.291216 logG= -0.028364 TDE= -0.170602 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010341 tlogG= -0.047854 logG= -0.058195 Density= 0.324385 ETOT(band)= -0.349868 trlgG= -0.441026 logG= -0.058195 TDE= -0.342998 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004403 tlogG= -0.023768 logG= -0.028171 Density= 0.213130 ETOT(band)= -0.233539 trlgG= -0.291751 logG= -0.028171 TDE= -0.170763 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.024188 logG= -0.029175 Density= 0.214772 ETOT(band)= -0.234130 trlgG= -0.294524 logG= -0.029175 TDE= -0.171220 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023796 logG= -0.028965 Density= 0.216301 ETOT(band)= -0.233006 trlgG= -0.293415 logG= -0.028965 TDE= -0.171411 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010387 tlogG= -0.047303 logG= -0.057690 logGD-logG0= -0.010626 tlogG= -0.048106 logG= -0.058732 Density= 0.324168 ETOT(band)= -0.349499 trlgG= -0.439676 logG= -0.057690 TDE= -0.342606 logGD-logG0= -0.005044 tlogG= -0.023876 logG= -0.028920 Density= 0.323288 ETOT(band)= -0.350934 trlgG= -0.442364 logG= -0.058732 TDE= -0.342990 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215523 ETOT(band)= -0.233724 trlgG= -0.294273 logG= -0.028920 TDE= -0.171097 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004652 tlogG= -0.023399 logG= -0.028051 logGD-logG0= -0.001179 tlogG= -0.005180 logG= -0.006359 Density= 0.321688 ETOT(band)= -0.349999 trlgG= -0.438753 logG= -0.028051 TDE= -0.170884 logGD-logG0= -0.005218 tlogG= -0.024115 logG= -0.029333 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323103 ETOT(band)= -0.351142 trlgG= -0.442666 logG= -0.029333 TDE= -0.171407 logGD-logG0= -0.005149 tlogG= -0.023990 logG= -0.029140 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216411 ETOT(band)= -0.233205 trlgG= -0.294120 logG= -0.029140 TDE= -0.171552 Density= 0.062551 ETOT(band)= -0.067533 trlgG= -0.084206 logG= -0.006359 TDE= -0.042356 logGD-logG0= -0.004707 tlogG= -0.024038 logG= -0.028746 Density= 0.214156 ETOT(band)= -0.234045 trlgG= -0.294123 logG= -0.028746 TDE= -0.171214 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023932 logG= -0.029265 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215672 ETOT(band)= -0.233726 trlgG= -0.294553 logG= -0.029265 TDE= -0.171417 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023991 logG= -0.029309 logGD-logG0= -0.004999 tlogG= -0.023276 logG= -0.028275 Density= 0.323699 ETOT(band)= -0.350609 trlgG= -0.442111 logG= -0.029309 TDE= -0.171466 Density= 0.321753 ETOT(band)= -0.350507 trlgG= -0.439606 logG= -0.028275 TDE= -0.170838 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009620 tlogG= -0.046668 logG= -0.056288 Density= 0.322752 ETOT(band)= -0.348958 trlgG= -0.436399 logG= -0.056288 TDE= -0.341578 logGD-logG0= -0.001571 tlogG= -0.006885 logG= -0.008457 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040851 ETOT(band)= -0.042668 trlgG= -0.052800 logG= -0.008457 TDE= -0.056458 logGD-logG0= -0.010384 tlogG= -0.046482 logG= -0.056866 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324034 ETOT(band)= -0.348841 trlgG= -0.437589 logG= -0.056866 TDE= -0.342049 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008896 tlogG= -0.048153 logG= -0.057049 Density= 0.425622 ETOT(band)= -0.468245 trlgG= -0.586434 logG= -0.057049 TDE= -0.341746 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009389 tlogG= -0.046770 logG= -0.056159 Density= 0.427969 ETOT(band)= -0.466044 trlgG= -0.581827 logG= -0.056159 TDE= -0.341186 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.022934 logG= -0.027872 Density= 0.214831 ETOT(band)= -0.232361 trlgG= -0.289685 logG= -0.027872 TDE= -0.170415 logGD-logG0= -0.001563 tlogG= -0.007598 logG= -0.009160 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071509 ETOT(band)= -0.077334 trlgG= -0.096153 logG= -0.009160 TDE= -0.056732 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010080 tlogG= -0.048211 logG= -0.058292 Density= 0.429364 ETOT(band)= -0.468192 trlgG= -0.588608 logG= -0.058292 TDE= -0.342280 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010249 tlogG= -0.048020 logG= -0.058269 Density= 0.429268 ETOT(band)= -0.468153 trlgG= -0.588252 logG= -0.058269 TDE= -0.342119 logGD-logG0= -0.010191 tlogG= -0.047730 logG= -0.057921 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428361 ETOT(band)= -0.468058 trlgG= -0.587164 logG= -0.057921 TDE= -0.341874 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.021335 logG= -0.026211 logGD-logG0= -0.010594 tlogG= -0.047792 logG= -0.058386 logGD-logG0= -0.010214 tlogG= -0.048285 logG= -0.058499 Density= 0.430096 ETOT(band)= -0.468200 trlgG= -0.589378 logG= -0.058499 TDE= -0.342493 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430806 ETOT(band)= -0.467456 trlgG= -0.588340 logG= -0.058386 TDE= -0.342636 Density= 0.162664 ETOT(band)= -0.172964 trlgG= -0.215921 logG= -0.026211 TDE= -0.169866 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009589 tlogG= -0.047708 logG= -0.057297 Density= 0.426752 ETOT(band)= -0.468279 trlgG= -0.586957 logG= -0.057297 TDE= -0.341764 logGD-logG0= -0.009439 tlogG= -0.046670 logG= -0.056109 Density= 0.428171 ETOT(band)= -0.466768 trlgG= -0.584436 logG= -0.056109 TDE= -0.341602 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009753 tlogG= -0.047916 logG= -0.057669 Density= 0.429200 ETOT(band)= -0.467854 trlgG= -0.587810 logG= -0.057669 TDE= -0.342220 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010692 tlogG= -0.047760 logG= -0.058453 Density= 0.431145 ETOT(band)= -0.467401 trlgG= -0.588702 logG= -0.058453 TDE= -0.342743 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009542 tlogG= -0.047827 logG= -0.057370 Density= 0.427253 ETOT(band)= -0.467831 trlgG= -0.585811 logG= -0.057370 TDE= -0.341466 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.046463 logG= -0.056331 Density= 0.429598 ETOT(band)= -0.465481 trlgG= -0.581511 logG= -0.056331 TDE= -0.341298 logGD-logG0= -0.010425 tlogG= -0.048134 logG= -0.058559 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430202 ETOT(band)= -0.468030 trlgG= -0.589051 logG= -0.058559 TDE= -0.342619 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001217 tlogG= -0.005476 logG= -0.006693 logGD-logG0= -0.010616 tlogG= -0.048086 logG= -0.058702 Density= 0.081209 ETOT(band)= -0.086343 trlgG= -0.107371 logG= -0.006693 TDE= -0.042569 Density= 0.431384 ETOT(band)= -0.467685 trlgG= -0.589696 logG= -0.058702 TDE= -0.343008 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009933 tlogG= -0.047622 logG= -0.057555 Density= 0.428676 ETOT(band)= -0.467403 trlgG= -0.586205 logG= -0.057555 TDE= -0.341919 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.023718 logG= -0.029099 Density= 0.215435 ETOT(band)= -0.233577 trlgG= -0.293854 logG= -0.029099 TDE= -0.171240 logGD-logG0= -0.004805 tlogG= -0.022359 logG= -0.027163 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322919 ETOT(band)= -0.347927 trlgG= -0.434009 logG= -0.027163 TDE= -0.170232 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010652 tlogG= -0.047331 logG= -0.057984 Density= 0.430538 ETOT(band)= -0.467030 trlgG= -0.586867 logG= -0.057984 TDE= -0.342252 logGD-logG0= -0.010177 tlogG= -0.047633 logG= -0.057810 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430069 ETOT(band)= -0.467049 trlgG= -0.586141 logG= -0.057810 TDE= -0.342032 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.022358 logG= -0.027122 Density= 0.215061 ETOT(band)= -0.231915 trlgG= -0.289086 logG= -0.027122 TDE= -0.170238 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009907 tlogG= -0.044685 logG= -0.054592 Density= 0.324325 ETOT(band)= -0.346627 trlgG= -0.431959 logG= -0.054592 TDE= -0.340747 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010253 tlogG= -0.046994 logG= -0.057246 Density= 0.429942 ETOT(band)= -0.466400 trlgG= -0.584210 logG= -0.057246 TDE= -0.341587 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022502 logG= -0.027390 Density= 0.215056 ETOT(band)= -0.231626 trlgG= -0.288042 logG= -0.027390 TDE= -0.170164 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.022323 logG= -0.027240 Density= 0.214298 ETOT(band)= -0.232400 trlgG= -0.289435 logG= -0.027240 TDE= -0.170151 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004917 tlogG= -0.021240 logG= -0.026157 logGD-logG0= -0.009755 tlogG= -0.044687 logG= -0.054443 Density= 0.431663 ETOT(band)= -0.462015 trlgG= -0.574738 logG= -0.054443 TDE= -0.340384 Density= 0.216371 ETOT(band)= -0.230007 trlgG= -0.285541 logG= -0.026157 TDE= -0.169786 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010115 tlogG= -0.045693 logG= -0.055808 logGD-logG0= -0.009576 tlogG= -0.047902 logG= -0.057478 Density= 0.428108 ETOT(band)= -0.468073 trlgG= -0.587831 logG= -0.057478 TDE= -0.342233 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324083 ETOT(band)= -0.347896 trlgG= -0.434969 logG= -0.055808 TDE= -0.341425 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.768493690726 eV TrLogG= -407.286834482371 eV Ratio to renormalize= 0.999885434348 rho-rho_expected= 0.002520733135 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 68) Finished k-point number 138 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964599265463977 0.940304364796671 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001396 tlogG= -0.008054 logG= -0.009450 Density= 0.035322 ETOT(band)= -0.039068 trlgG= -0.048968 logG= -0.009450 TDE= -0.056996 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004322 tlogG= -0.024004 logG= -0.028326 Density= 0.106193 ETOT(band)= -0.117096 trlgG= -0.146665 logG= -0.028326 TDE= -0.170889 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004597 tlogG= -0.023235 logG= -0.027832 Density= 0.106758 ETOT(band)= -0.116599 trlgG= -0.145460 logG= -0.027832 TDE= -0.170457 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004684 tlogG= -0.023019 logG= -0.027703 Density= 0.106893 ETOT(band)= -0.116468 trlgG= -0.145198 logG= -0.027703 TDE= -0.170391 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004709 tlogG= -0.023530 logG= -0.028239 Density= 0.106794 ETOT(band)= -0.116791 trlgG= -0.145945 logG= -0.028239 TDE= -0.170553 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002388 tlogG= -0.010444 logG= -0.012832 logGD-logG0= -0.001682 tlogG= -0.007314 logG= -0.008996 Density= 0.035849 ETOT(band)= -0.038570 trlgG= -0.047909 logG= -0.008996 TDE= -0.056652 Density= 0.054383 ETOT(band)= -0.057066 trlgG= -0.070696 logG= -0.012832 TDE= -0.084776 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004983 tlogG= -0.021727 logG= -0.026710 Density= 0.107946 ETOT(band)= -0.115326 trlgG= -0.143257 logG= -0.026710 TDE= -0.169964 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002589 tlogG= -0.012048 logG= -0.014638 Density= 0.053770 ETOT(band)= -0.058525 trlgG= -0.073683 logG= -0.014638 TDE= -0.085653 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000854 logG= -0.001049 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002407 tlogG= -0.012098 logG= -0.014505 Density= 0.053593 ETOT(band)= -0.058535 trlgG= -0.073625 logG= -0.014505 TDE= -0.085640 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011464 logG= -0.013783 Density= 0.053745 ETOT(band)= -0.058061 trlgG= -0.072499 logG= -0.013783 TDE= -0.085311 logGD-logG0= -0.001477 tlogG= -0.007821 logG= -0.009298 Density= 0.035500 ETOT(band)= -0.038917 trlgG= -0.048604 logG= -0.009298 TDE= -0.056873 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002312 tlogG= -0.011900 logG= -0.014211 Density= 0.053571 ETOT(band)= -0.058391 trlgG= -0.073262 logG= -0.014211 TDE= -0.085561 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002545 tlogG= -0.012002 logG= -0.014547 Density= 0.054143 ETOT(band)= -0.058289 trlgG= -0.073548 logG= -0.014547 TDE= -0.085794 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004295 tlogG= -0.024081 logG= -0.028376 logGD-logG0= -0.005117 tlogG= -0.023466 logG= -0.028583 Density= 0.106142 ETOT(band)= -0.117140 trlgG= -0.146778 logG= -0.028376 TDE= -0.170926 Density= 0.108143 ETOT(band)= -0.116364 trlgG= -0.146285 logG= -0.028583 TDE= -0.171217 logGD-logG0= -0.005110 tlogG= -0.023985 logG= -0.029095 Density= 0.108240 ETOT(band)= -0.116602 trlgG= -0.147100 logG= -0.029095 TDE= -0.171568 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.022492 logG= -0.027500 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108216 ETOT(band)= -0.115721 trlgG= -0.144563 logG= -0.027500 TDE= -0.170614 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023799 logG= -0.028921 Density= 0.108189 ETOT(band)= -0.116527 trlgG= -0.146822 logG= -0.028921 TDE= -0.171438 logGD-logG0= -0.004519 tlogG= -0.024075 logG= -0.028594 logGD-logG0= -0.002614 tlogG= -0.012005 logG= -0.014619 Density= 0.106411 ETOT(band)= -0.117130 trlgG= -0.146788 logG= -0.028594 TDE= -0.170851 Density= 0.053989 ETOT(band)= -0.058409 trlgG= -0.073668 logG= -0.014619 TDE= -0.085766 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.024104 logG= -0.029357 logGD-logG0= -0.004925 tlogG= -0.022205 logG= -0.027130 logGD-logG0= -0.004837 tlogG= -0.022882 logG= -0.027719 Density= 0.107763 ETOT(band)= -0.116075 trlgG= -0.144925 logG= -0.027719 TDE= -0.170532 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108371 ETOT(band)= -0.115415 trlgG= -0.143956 logG= -0.027130 TDE= -0.170453 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.024125 logG= -0.029092 Density= 0.107657 ETOT(band)= -0.117052 trlgG= -0.147512 logG= -0.029357 TDE= -0.171429 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107396 ETOT(band)= -0.117015 trlgG= -0.147133 logG= -0.029092 TDE= -0.171186 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023640 logG= -0.028740 Density= 0.108215 ETOT(band)= -0.116411 trlgG= -0.146530 logG= -0.028740 TDE= -0.171341 logGD-logG0= -0.004803 tlogG= -0.023721 logG= -0.028524 logGD-logG0= -0.005003 tlogG= -0.022769 logG= -0.027772 logGD-logG0= -0.004974 tlogG= -0.023673 logG= -0.028646 Density= 0.106997 ETOT(band)= -0.116910 trlgG= -0.146290 logG= -0.028646 TDE= -0.170591 Density= 0.107395 ETOT(band)= -0.116704 trlgG= -0.146391 logG= -0.028524 TDE= -0.171012 Density= 0.108261 ETOT(band)= -0.115858 trlgG= -0.144999 logG= -0.027772 TDE= -0.170800 logGD-logG0= -0.005286 tlogG= -0.023935 logG= -0.029220 logGD-logG0= -0.005068 tlogG= -0.023251 logG= -0.028319 Density= 0.108206 ETOT(band)= -0.116188 trlgG= -0.145867 logG= -0.028319 TDE= -0.171093 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107766 ETOT(band)= -0.116918 trlgG= -0.147297 logG= -0.029220 TDE= -0.171405 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.023907 logG= -0.029004 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.024122 logG= -0.029382 logGD-logG0= -0.005260 tlogG= -0.023716 logG= -0.028976 Density= 0.107248 ETOT(band)= -0.116983 trlgG= -0.146841 logG= -0.028976 TDE= -0.170937 Density= 0.108260 ETOT(band)= -0.116538 trlgG= -0.146951 logG= -0.029004 TDE= -0.171520 Density= 0.107901 ETOT(band)= -0.116960 trlgG= -0.147577 logG= -0.029382 TDE= -0.171589 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004681 tlogG= -0.023719 logG= -0.028400 Density= 0.106995 ETOT(band)= -0.116821 trlgG= -0.146480 logG= -0.028400 TDE= -0.171027 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023999 logG= -0.029203 logGD-logG0= -0.004654 tlogG= -0.023698 logG= -0.028352 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107460 ETOT(band)= -0.117037 trlgG= -0.147238 logG= -0.029203 TDE= -0.171211 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023923 logG= -0.028801 logGD-logG0= -0.005085 tlogG= -0.022908 logG= -0.027992 Density= 0.107632 ETOT(band)= -0.116279 trlgG= -0.145336 logG= -0.027992 TDE= -0.170605 Density= 0.106777 ETOT(band)= -0.117092 trlgG= -0.146902 logG= -0.028801 TDE= -0.170939 Density= 0.106619 ETOT(band)= -0.116936 trlgG= -0.146373 logG= -0.028352 TDE= -0.170781 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.022440 logG= -0.027426 Density= 0.107651 ETOT(band)= -0.115945 trlgG= -0.144440 logG= -0.027426 TDE= -0.170284 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004854 tlogG= -0.024102 logG= -0.028955 Density= 0.107074 ETOT(band)= -0.117075 trlgG= -0.147158 logG= -0.028955 TDE= -0.171188 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023229 logG= -0.028505 Density= 0.107698 ETOT(band)= -0.116528 trlgG= -0.146146 logG= -0.028505 TDE= -0.170936 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004714 tlogG= -0.022884 logG= -0.027598 Density= 0.107315 ETOT(band)= -0.116217 trlgG= -0.145049 logG= -0.027598 TDE= -0.170555 logGD-logG0= -0.005293 tlogG= -0.024169 logG= -0.029461 Density= 0.107825 ETOT(band)= -0.117048 trlgG= -0.147702 logG= -0.029461 TDE= -0.171598 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009730 tlogG= -0.048309 logG= -0.058039 logGD-logG0= -0.009418 tlogG= -0.045825 logG= -0.055243 Density= 0.215052 ETOT(band)= -0.232270 trlgG= -0.290001 logG= -0.055243 TDE= -0.341176 Density= 0.214437 ETOT(band)= -0.234110 trlgG= -0.294391 logG= -0.058039 TDE= -0.342466 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.023615 logG= -0.028898 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009057 tlogG= -0.047691 logG= -0.056748 Density= 0.107814 ETOT(band)= -0.116690 trlgG= -0.146776 logG= -0.028898 TDE= -0.171230 Density= 0.212970 ETOT(band)= -0.233995 trlgG= -0.292879 logG= -0.056748 TDE= -0.341520 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009875 tlogG= -0.047966 logG= -0.057841 Density= 0.214007 ETOT(band)= -0.234146 trlgG= -0.294077 logG= -0.057841 TDE= -0.342138 logGD-logG0= -0.009697 tlogG= -0.045655 logG= -0.055352 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023905 logG= -0.029152 Density= 0.107929 ETOT(band)= -0.116787 trlgG= -0.147192 logG= -0.029152 TDE= -0.171449 logGD-logG0= -0.005235 tlogG= -0.024094 logG= -0.029329 Density= 0.107960 ETOT(band)= -0.116893 trlgG= -0.147489 logG= -0.029329 TDE= -0.171584 Density= 0.214401 ETOT(band)= -0.232617 trlgG= -0.290176 logG= -0.055352 TDE= -0.340920 logGD-logG0= -0.009487 tlogG= -0.047991 logG= -0.057478 Density= 0.213315 ETOT(band)= -0.234206 trlgG= -0.293525 logG= -0.057478 TDE= -0.341607 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009761 tlogG= -0.047215 logG= -0.056976 Density= 0.213817 ETOT(band)= -0.233744 trlgG= -0.292604 logG= -0.056976 TDE= -0.341436 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.047812 logG= -0.058266 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214791 ETOT(band)= -0.234036 trlgG= -0.294227 logG= -0.058266 TDE= -0.342251 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.048147 logG= -0.058556 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215103 ETOT(band)= -0.234091 trlgG= -0.294740 logG= -0.058556 TDE= -0.342628 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023018 logG= -0.028093 Density= 0.108147 ETOT(band)= -0.116094 trlgG= -0.145510 logG= -0.028093 TDE= -0.170934 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010000 tlogG= -0.048095 logG= -0.058094 logGD-logG0= -0.010490 tlogG= -0.048081 logG= -0.058571 Density= 0.215139 ETOT(band)= -0.234082 trlgG= -0.294767 logG= -0.058571 TDE= -0.342658 Density= 0.214566 ETOT(band)= -0.234057 trlgG= -0.294141 logG= -0.058094 TDE= -0.342225 logGD-logG0= -0.010117 tlogG= -0.047724 logG= -0.057841 logGD-logG0= -0.010257 tlogG= -0.048045 logG= -0.058302 Density= 0.215105 ETOT(band)= -0.233946 trlgG= -0.294323 logG= -0.058302 TDE= -0.342466 Density= 0.213988 ETOT(band)= -0.234133 trlgG= -0.293830 logG= -0.057841 TDE= -0.341880 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010468 tlogG= -0.048012 logG= -0.058481 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215924 ETOT(band)= -0.233658 trlgG= -0.294678 logG= -0.058481 TDE= -0.343047 logGD-logG0= -0.001615 tlogG= -0.007003 logG= -0.008618 Density= 0.036200 ETOT(band)= -0.038122 trlgG= -0.047249 logG= -0.008618 TDE= -0.056545 logGD-logG0= -0.010346 tlogG= -0.047372 logG= -0.057718 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009802 tlogG= -0.045715 logG= -0.055517 Density= 0.215183 ETOT(band)= -0.232346 trlgG= -0.289993 logG= -0.055517 TDE= -0.340960 logGD-logG0= -0.010317 tlogG= -0.047852 logG= -0.058169 Density= 0.214690 ETOT(band)= -0.234029 trlgG= -0.294058 logG= -0.058169 TDE= -0.342128 Density= 0.214298 ETOT(band)= -0.233927 trlgG= -0.293307 logG= -0.057718 TDE= -0.341635 logGD-logG0= -0.010542 tlogG= -0.047600 logG= -0.058142 Density= 0.215729 ETOT(band)= -0.233540 trlgG= -0.294115 logG= -0.058142 TDE= -0.342726 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010116 tlogG= -0.046478 logG= -0.056593 Density= 0.215248 ETOT(band)= -0.232910 trlgG= -0.291628 logG= -0.056593 TDE= -0.341549 logGD-logG0= -0.010555 tlogG= -0.046945 logG= -0.057500 Density= 0.215460 ETOT(band)= -0.233303 trlgG= -0.293072 logG= -0.057500 TDE= -0.342193 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010603 tlogG= -0.048212 logG= -0.058815 logGD-logG0= -0.009724 tlogG= -0.047290 logG= -0.057014 Density= 0.215453 ETOT(band)= -0.234109 trlgG= -0.295206 logG= -0.058815 TDE= -0.343008 Density= 0.214513 ETOT(band)= -0.233495 trlgG= -0.292719 logG= -0.057014 TDE= -0.341857 logGD-logG0= -0.009595 tlogG= -0.047225 logG= -0.056820 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213807 ETOT(band)= -0.233700 trlgG= -0.292812 logG= -0.056820 TDE= -0.341794 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010027 tlogG= -0.047218 logG= -0.057245 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215183 ETOT(band)= -0.233312 trlgG= -0.292645 logG= -0.057245 TDE= -0.341883 logGD-logG0= -0.010513 tlogG= -0.047487 logG= -0.058000 logGD-logG0= -0.010522 tlogG= -0.047961 logG= -0.058483 Density= 0.215796 ETOT(band)= -0.233730 trlgG= -0.294680 logG= -0.058483 TDE= -0.342983 Density= 0.215498 ETOT(band)= -0.233580 trlgG= -0.293873 logG= -0.058000 TDE= -0.342512 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002450 tlogG= -0.010857 logG= -0.013307 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054070 ETOT(band)= -0.057582 trlgG= -0.071542 logG= -0.013307 TDE= -0.084991 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004875 tlogG= -0.021599 logG= -0.026474 Density= 0.108525 ETOT(band)= -0.114865 trlgG= -0.142828 logG= -0.026474 TDE= -0.170057 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.021910 logG= -0.026870 logGD-logG0= -0.004794 tlogG= -0.021024 logG= -0.025818 Density= 0.108720 ETOT(band)= -0.114278 trlgG= -0.141672 logG= -0.025818 TDE= -0.169654 Density= 0.108335 ETOT(band)= -0.115231 trlgG= -0.143507 logG= -0.026870 TDE= -0.170246 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009369 tlogG= -0.047513 logG= -0.056881 Density= 0.214348 ETOT(band)= -0.233533 trlgG= -0.292945 logG= -0.056881 TDE= -0.342133 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.021850 logG= -0.026893 Density= 0.107804 ETOT(band)= -0.115518 trlgG= -0.143566 logG= -0.026893 TDE= -0.170020 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009961 tlogG= -0.043454 logG= -0.053416 Density= 0.216304 ETOT(band)= -0.230443 trlgG= -0.286492 logG= -0.053416 TDE= -0.340114 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004458 tlogG= -0.023616 logG= -0.028074 logGD-logG0= -0.004403 tlogG= -0.023769 logG= -0.028172 Density= 0.213132 ETOT(band)= -0.233545 trlgG= -0.291760 logG= -0.028172 TDE= -0.170767 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212667 ETOT(band)= -0.233950 trlgG= -0.292733 logG= -0.028074 TDE= -0.170682 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004572 tlogG= -0.023920 logG= -0.028492 Density= 0.213325 ETOT(band)= -0.233822 trlgG= -0.292491 logG= -0.028492 TDE= -0.170771 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001563 tlogG= -0.007598 logG= -0.009161 Density= 0.071510 ETOT(band)= -0.077336 trlgG= -0.096156 logG= -0.009161 TDE= -0.056733 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001179 tlogG= -0.005180 logG= -0.006359 Density= 0.062551 ETOT(band)= -0.067534 trlgG= -0.084209 logG= -0.006359 TDE= -0.042357 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005316 logG= -0.006513 Density= 0.081566 ETOT(band)= -0.085679 trlgG= -0.106216 logG= -0.006513 TDE= -0.042458 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004917 tlogG= -0.022324 logG= -0.027241 Density= 0.214300 ETOT(band)= -0.232406 trlgG= -0.289444 logG= -0.027241 TDE= -0.170155 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004917 tlogG= -0.021241 logG= -0.026158 Density= 0.216373 ETOT(band)= -0.230013 trlgG= -0.285549 logG= -0.026158 TDE= -0.169789 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001423 tlogG= -0.007975 logG= -0.009398 Density= 0.070883 ETOT(band)= -0.077935 trlgG= -0.097451 logG= -0.009398 TDE= -0.056958 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004269 tlogG= -0.024161 logG= -0.028430 Density= 0.212221 ETOT(band)= -0.234329 trlgG= -0.293679 logG= -0.028430 TDE= -0.170965 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.006886 logG= -0.008457 Density= 0.040851 ETOT(band)= -0.042669 trlgG= -0.052801 logG= -0.008457 TDE= -0.056459 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004938 tlogG= -0.022935 logG= -0.027873 Density= 0.214833 ETOT(band)= -0.232367 trlgG= -0.289693 logG= -0.027873 TDE= -0.170419 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005948 logG= -0.007217 Density= 0.080843 ETOT(band)= -0.087637 trlgG= -0.110366 logG= -0.007217 TDE= -0.042863 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005864 logG= -0.007129 Density= 0.080660 ETOT(band)= -0.087601 trlgG= -0.110168 logG= -0.007129 TDE= -0.042809 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005628 logG= -0.006857 Density= 0.080849 ETOT(band)= -0.086957 trlgG= -0.108611 logG= -0.006857 TDE= -0.042667 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001682 tlogG= -0.007129 logG= -0.008811 Density= 0.072238 ETOT(band)= -0.076471 trlgG= -0.094846 logG= -0.008811 TDE= -0.056619 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005992 logG= -0.007260 Density= 0.081070 ETOT(band)= -0.087541 trlgG= -0.110421 logG= -0.007260 TDE= -0.042893 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022503 logG= -0.027391 Density= 0.215058 ETOT(band)= -0.231632 trlgG= -0.288050 logG= -0.027391 TDE= -0.170168 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005757 logG= -0.007007 Density= 0.080648 ETOT(band)= -0.087385 trlgG= -0.109613 logG= -0.007007 TDE= -0.042744 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.023835 logG= -0.029060 Density= 0.215365 ETOT(band)= -0.233734 trlgG= -0.294177 logG= -0.029060 TDE= -0.171413 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.021915 logG= -0.026962 Density= 0.216652 ETOT(band)= -0.230262 trlgG= -0.286498 logG= -0.026962 TDE= -0.170215 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005192 tlogG= -0.024036 logG= -0.029228 Density= 0.215715 ETOT(band)= -0.233830 trlgG= -0.294833 logG= -0.029228 TDE= -0.171565 logGD-logG0= -0.005221 tlogG= -0.023515 logG= -0.028736 Density= 0.215246 ETOT(band)= -0.233298 trlgG= -0.292913 logG= -0.028736 TDE= -0.171156 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004958 tlogG= -0.021386 logG= -0.026344 Density= 0.217043 ETOT(band)= -0.229155 trlgG= -0.284295 logG= -0.026344 TDE= -0.169883 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005155 tlogG= -0.024035 logG= -0.029190 Density= 0.216380 ETOT(band)= -0.233315 trlgG= -0.294360 logG= -0.029190 TDE= -0.171583 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.024038 logG= -0.028778 Density= 0.321619 ETOT(band)= -0.351058 trlgG= -0.441343 logG= -0.028778 TDE= -0.171213 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005044 tlogG= -0.023878 logG= -0.028921 Density= 0.215525 ETOT(band)= -0.233730 trlgG= -0.294282 logG= -0.028921 TDE= -0.171101 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005012 tlogG= -0.024195 logG= -0.029207 Density= 0.322489 ETOT(band)= -0.351175 trlgG= -0.442025 logG= -0.029207 TDE= -0.171219 logGD-logG0= -0.004547 tlogG= -0.024002 logG= -0.028549 Density= 0.212854 ETOT(band)= -0.234230 trlgG= -0.293483 logG= -0.028549 TDE= -0.170819 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024157 logG= -0.029441 logGD-logG0= -0.005086 tlogG= -0.022474 logG= -0.027559 Density= 0.216397 ETOT(band)= -0.231259 trlgG= -0.288613 logG= -0.027559 TDE= -0.170555 Density= 0.215747 ETOT(band)= -0.233986 trlgG= -0.295248 logG= -0.029441 TDE= -0.171598 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010340 tlogG= -0.047857 logG= -0.058197 Density= 0.324389 ETOT(band)= -0.349876 trlgG= -0.441038 logG= -0.058197 TDE= -0.343006 logGD-logG0= -0.005045 tlogG= -0.023989 logG= -0.029035 Density= 0.214376 ETOT(band)= -0.234061 trlgG= -0.293915 logG= -0.029035 TDE= -0.171051 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023003 logG= -0.028150 Density= 0.216252 ETOT(band)= -0.232057 trlgG= -0.290599 logG= -0.028150 TDE= -0.170889 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023797 logG= -0.028965 logGD-logG0= -0.005174 tlogG= -0.023450 logG= -0.028625 Density= 0.216224 ETOT(band)= -0.232632 trlgG= -0.292215 logG= -0.028625 TDE= -0.171176 logGD-logG0= -0.004887 tlogG= -0.023912 logG= -0.028799 Density= 0.213827 ETOT(band)= -0.233973 trlgG= -0.293004 logG= -0.028799 TDE= -0.170780 Density= 0.216304 ETOT(band)= -0.233012 trlgG= -0.293423 logG= -0.028965 TDE= -0.171415 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010115 tlogG= -0.045695 logG= -0.055809 Density= 0.324087 ETOT(band)= -0.347905 trlgG= -0.434981 logG= -0.055809 TDE= -0.341433 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023992 logG= -0.029140 logGD-logG0= -0.010385 tlogG= -0.047306 logG= -0.057691 Density= 0.216413 ETOT(band)= -0.233211 trlgG= -0.294128 logG= -0.029140 TDE= -0.171556 Density= 0.324172 ETOT(band)= -0.349508 trlgG= -0.439688 logG= -0.057691 TDE= -0.342614 logGD-logG0= -0.004986 tlogG= -0.024189 logG= -0.029176 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010625 tlogG= -0.048108 logG= -0.058734 logGD-logG0= -0.009619 tlogG= -0.046670 logG= -0.056289 Density= 0.322755 ETOT(band)= -0.348967 trlgG= -0.436411 logG= -0.056289 TDE= -0.341586 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214775 ETOT(band)= -0.234136 trlgG= -0.294532 logG= -0.029176 TDE= -0.171224 Density= 0.323291 ETOT(band)= -0.350943 trlgG= -0.442376 logG= -0.058734 TDE= -0.342998 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.024116 logG= -0.029334 Density= 0.323107 ETOT(band)= -0.351150 trlgG= -0.442678 logG= -0.029334 TDE= -0.171411 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004801 tlogG= -0.023869 logG= -0.028670 logGD-logG0= -0.004998 tlogG= -0.023277 logG= -0.028275 Density= 0.213614 ETOT(band)= -0.234110 trlgG= -0.293740 logG= -0.028670 TDE= -0.171036 Density= 0.321756 ETOT(band)= -0.350516 trlgG= -0.439618 logG= -0.028275 TDE= -0.170842 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.023993 logG= -0.029310 Density= 0.323703 ETOT(band)= -0.350618 trlgG= -0.442123 logG= -0.029310 TDE= -0.171470 logGD-logG0= -0.004750 tlogG= -0.023277 logG= -0.028027 logGD-logG0= -0.004707 tlogG= -0.024039 logG= -0.028746 Density= 0.214158 ETOT(band)= -0.234051 trlgG= -0.294131 logG= -0.028746 TDE= -0.171218 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213541 ETOT(band)= -0.233576 trlgG= -0.292222 logG= -0.028027 TDE= -0.170732 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004619 tlogG= -0.023403 logG= -0.028023 logGD-logG0= -0.008896 tlogG= -0.048155 logG= -0.057051 Density= 0.214222 ETOT(band)= -0.233337 trlgG= -0.292338 logG= -0.028023 TDE= -0.170896 Density= 0.425626 ETOT(band)= -0.468258 trlgG= -0.586451 logG= -0.057051 TDE= -0.341754 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023225 logG= -0.028365 Density= 0.214902 ETOT(band)= -0.232922 trlgG= -0.291224 logG= -0.028365 TDE= -0.170606 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.023387 logG= -0.028791 logGD-logG0= -0.005380 tlogG= -0.023719 logG= -0.029099 Density= 0.215139 ETOT(band)= -0.233323 trlgG= -0.292720 logG= -0.028791 TDE= -0.170950 Density= 0.215438 ETOT(band)= -0.233583 trlgG= -0.293862 logG= -0.029099 TDE= -0.171244 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009575 tlogG= -0.047905 logG= -0.057480 Density= 0.428113 ETOT(band)= -0.468085 trlgG= -0.587848 logG= -0.057480 TDE= -0.342241 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010079 tlogG= -0.048214 logG= -0.058293 Density= 0.429369 ETOT(band)= -0.468204 trlgG= -0.588624 logG= -0.058293 TDE= -0.342288 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009388 tlogG= -0.046772 logG= -0.056160 Density= 0.427973 ETOT(band)= -0.466056 trlgG= -0.581844 logG= -0.056160 TDE= -0.341194 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010190 tlogG= -0.047732 logG= -0.057922 Density= 0.428365 ETOT(band)= -0.468070 trlgG= -0.587181 logG= -0.057922 TDE= -0.341882 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009588 tlogG= -0.047710 logG= -0.057298 logGD-logG0= -0.004875 tlogG= -0.021336 logG= -0.026212 Density= 0.162666 ETOT(band)= -0.172969 trlgG= -0.215927 logG= -0.026212 TDE= -0.169870 logGD-logG0= -0.010213 tlogG= -0.048287 logG= -0.058500 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009752 tlogG= -0.047919 logG= -0.057671 logGD-logG0= -0.010248 tlogG= -0.048022 logG= -0.058270 Density= 0.429273 ETOT(band)= -0.468165 trlgG= -0.588269 logG= -0.058270 TDE= -0.342127 Density= 0.426756 ETOT(band)= -0.468291 trlgG= -0.586974 logG= -0.057298 TDE= -0.341772 Density= 0.430101 ETOT(band)= -0.468211 trlgG= -0.589395 logG= -0.058500 TDE= -0.342502 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009542 tlogG= -0.047829 logG= -0.057371 Density= 0.427257 ETOT(band)= -0.467843 trlgG= -0.585828 logG= -0.057371 TDE= -0.341474 Density= 0.429205 ETOT(band)= -0.467866 trlgG= -0.587826 logG= -0.057671 TDE= -0.342228 logGD-logG0= -0.010690 tlogG= -0.047763 logG= -0.058454 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431150 ETOT(band)= -0.467413 trlgG= -0.588718 logG= -0.058454 TDE= -0.342751 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.048136 logG= -0.058560 Density= 0.430207 ETOT(band)= -0.468042 trlgG= -0.589067 logG= -0.058560 TDE= -0.342627 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023933 logG= -0.029266 Density= 0.215674 ETOT(band)= -0.233732 trlgG= -0.294561 logG= -0.029266 TDE= -0.171421 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010252 tlogG= -0.046996 logG= -0.057248 logGD-logG0= -0.010382 tlogG= -0.046485 logG= -0.056868 Density= 0.429946 ETOT(band)= -0.466412 trlgG= -0.584227 logG= -0.057248 TDE= -0.341595 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324038 ETOT(band)= -0.348850 trlgG= -0.437601 logG= -0.056868 TDE= -0.342057 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009932 tlogG= -0.047624 logG= -0.057556 Density= 0.428681 ETOT(band)= -0.467415 trlgG= -0.586221 logG= -0.057556 TDE= -0.341927 logGD-logG0= -0.004804 tlogG= -0.022360 logG= -0.027164 logGD-logG0= -0.010652 tlogG= -0.047333 logG= -0.057985 Density= 0.430543 ETOT(band)= -0.467042 trlgG= -0.586884 logG= -0.057985 TDE= -0.342260 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322922 ETOT(band)= -0.347936 trlgG= -0.434021 logG= -0.027164 TDE= -0.170236 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009867 tlogG= -0.046465 logG= -0.056333 Density= 0.429602 ETOT(band)= -0.465493 trlgG= -0.581527 logG= -0.056333 TDE= -0.341306 logGD-logG0= -0.010593 tlogG= -0.047794 logG= -0.058387 logGD-logG0= -0.004652 tlogG= -0.023400 logG= -0.028052 Density= 0.321691 ETOT(band)= -0.350009 trlgG= -0.438766 logG= -0.028052 TDE= -0.170888 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430811 ETOT(band)= -0.467468 trlgG= -0.588357 logG= -0.058387 TDE= -0.342644 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.048089 logG= -0.058703 Density= 0.431389 ETOT(band)= -0.467697 trlgG= -0.589713 logG= -0.058703 TDE= -0.343016 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.046672 logG= -0.056110 Density= 0.428175 ETOT(band)= -0.466780 trlgG= -0.584453 logG= -0.056110 TDE= -0.341610 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010176 tlogG= -0.047635 logG= -0.057812 Density= 0.430074 ETOT(band)= -0.467061 trlgG= -0.586158 logG= -0.057812 TDE= -0.342040 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001217 tlogG= -0.005477 logG= -0.006693 Density= 0.081210 ETOT(band)= -0.086345 trlgG= -0.107374 logG= -0.006693 TDE= -0.042570 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009906 tlogG= -0.044687 logG= -0.054593 Density= 0.324329 ETOT(band)= -0.346635 trlgG= -0.431971 logG= -0.054593 TDE= -0.340755 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.022359 logG= -0.027123 Density= 0.215063 ETOT(band)= -0.231921 trlgG= -0.289094 logG= -0.027123 TDE= -0.170242 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009754 tlogG= -0.044690 logG= -0.054444 Density= 0.431668 ETOT(band)= -0.462027 trlgG= -0.574755 logG= -0.054444 TDE= -0.340391 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.776757888613 eV TrLogG= -407.299920635968 eV Ratio to renormalize= 0.999874903629 rho-rho_expected= 0.002752464477 nargs= 1 argi=dmft2.def 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964603634233007 0.940298265777280 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002407 tlogG= -0.012097 logG= -0.014504 Density= 0.053592 ETOT(band)= -0.058533 trlgG= -0.073621 logG= -0.014504 TDE= -0.085637 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002546 tlogG= -0.012000 logG= -0.014546 Density= 0.054142 ETOT(band)= -0.058286 trlgG= -0.073544 logG= -0.014546 TDE= -0.085791 logGD-logG0= -0.002614 tlogG= -0.012004 logG= -0.014618 Density= 0.053988 ETOT(band)= -0.058407 trlgG= -0.073664 logG= -0.014618 TDE= -0.085762 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011463 logG= -0.013782 Density= 0.053744 ETOT(band)= -0.058058 trlgG= -0.072495 logG= -0.013782 TDE= -0.085308 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023997 logG= -0.029201 Density= 0.107458 ETOT(band)= -0.117031 trlgG= -0.147230 logG= -0.029201 TDE= -0.171204 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022202 logG= -0.027128 Density= 0.108369 ETOT(band)= -0.115410 trlgG= -0.143948 logG= -0.027128 TDE= -0.170447 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009058 tlogG= -0.047686 logG= -0.056744 Density= 0.212968 ETOT(band)= -0.233983 trlgG= -0.292864 logG= -0.056744 TDE= -0.341506 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004519 tlogG= -0.024073 logG= -0.028592 Density= 0.106409 ETOT(band)= -0.117124 trlgG= -0.146780 logG= -0.028592 TDE= -0.170845 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009487 tlogG= -0.047987 logG= -0.057474 logGD-logG0= -0.005004 tlogG= -0.022766 logG= -0.027770 Density= 0.213312 ETOT(band)= -0.234195 trlgG= -0.293509 logG= -0.057474 TDE= -0.341593 logGD-logG0= -0.005085 tlogG= -0.022905 logG= -0.027991 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004654 tlogG= -0.023696 logG= -0.028351 Density= 0.106618 ETOT(band)= -0.116931 trlgG= -0.146365 logG= -0.028351 TDE= -0.170774 logGD-logG0= -0.009804 tlogG= -0.045710 logG= -0.055514 Density= 0.108259 ETOT(band)= -0.115853 trlgG= -0.144992 logG= -0.027770 TDE= -0.170793 Density= 0.107630 ETOT(band)= -0.116274 trlgG= -0.145328 logG= -0.027991 TDE= -0.170599 Density= 0.215180 ETOT(band)= -0.232336 trlgG= -0.289978 logG= -0.055514 TDE= -0.340946 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023717 logG= -0.028398 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004855 tlogG= -0.024099 logG= -0.028953 Density= 0.107073 ETOT(band)= -0.117070 trlgG= -0.147150 logG= -0.028953 TDE= -0.171181 Density= 0.106993 ETOT(band)= -0.116816 trlgG= -0.146472 logG= -0.028398 TDE= -0.171020 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.043450 logG= -0.053413 Density= 0.216301 ETOT(band)= -0.230432 trlgG= -0.286477 logG= -0.053413 TDE= -0.340101 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000854 logG= -0.001049 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002590 tlogG= -0.012047 logG= -0.014637 Density= 0.053769 ETOT(band)= -0.058522 trlgG= -0.073679 logG= -0.014637 TDE= -0.085650 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001396 tlogG= -0.008053 logG= -0.009450 Density= 0.035321 ETOT(band)= -0.039066 trlgG= -0.048965 logG= -0.009450 TDE= -0.056994 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002312 tlogG= -0.011898 logG= -0.014210 Density= 0.053570 ETOT(band)= -0.058388 trlgG= -0.073258 logG= -0.014210 TDE= -0.085557 logGD-logG0= -0.004295 tlogG= -0.024079 logG= -0.028374 Density= 0.106140 ETOT(band)= -0.117134 trlgG= -0.146770 logG= -0.028374 TDE= -0.170919 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023796 logG= -0.028920 logGD-logG0= -0.005008 tlogG= -0.022490 logG= -0.027498 Density= 0.108214 ETOT(band)= -0.115716 trlgG= -0.144556 logG= -0.027498 TDE= -0.170607 Density= 0.108187 ETOT(band)= -0.116522 trlgG= -0.146814 logG= -0.028920 TDE= -0.171431 logGD-logG0= -0.005119 tlogG= -0.023463 logG= -0.028581 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.023982 logG= -0.029093 Density= 0.108141 ETOT(band)= -0.116359 trlgG= -0.146278 logG= -0.028581 TDE= -0.171210 Density= 0.108238 ETOT(band)= -0.116597 trlgG= -0.147093 logG= -0.029093 TDE= -0.171561 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004322 tlogG= -0.024002 logG= -0.028324 Density= 0.106192 ETOT(band)= -0.117090 trlgG= -0.146657 logG= -0.028324 TDE= -0.170882 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004598 tlogG= -0.023233 logG= -0.027830 Density= 0.106756 ETOT(band)= -0.116593 trlgG= -0.145452 logG= -0.027830 TDE= -0.170451 logGD-logG0= -0.005076 tlogG= -0.023015 logG= -0.028092 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108146 ETOT(band)= -0.116089 trlgG= -0.145503 logG= -0.028092 TDE= -0.170927 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023017 logG= -0.027701 Density= 0.106891 ETOT(band)= -0.116463 trlgG= -0.145190 logG= -0.027701 TDE= -0.170384 logGD-logG0= -0.004804 tlogG= -0.023718 logG= -0.028522 Density= 0.107393 ETOT(band)= -0.116699 trlgG= -0.146384 logG= -0.028522 TDE= -0.171005 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.024101 logG= -0.029355 logGD-logG0= -0.005098 tlogG= -0.023904 logG= -0.029002 Density= 0.108258 ETOT(band)= -0.116533 trlgG= -0.146944 logG= -0.029002 TDE= -0.171514 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.022438 logG= -0.027425 Density= 0.107649 ETOT(band)= -0.115940 trlgG= -0.144432 logG= -0.027425 TDE= -0.170278 Density= 0.107655 ETOT(band)= -0.117046 trlgG= -0.147504 logG= -0.029355 TDE= -0.171422 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023714 logG= -0.028974 logGD-logG0= -0.005070 tlogG= -0.023248 logG= -0.028318 Density= 0.108204 ETOT(band)= -0.116183 trlgG= -0.145859 logG= -0.028318 TDE= -0.171086 Density= 0.107247 ETOT(band)= -0.116978 trlgG= -0.146833 logG= -0.028974 TDE= -0.170930 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.024119 logG= -0.029381 logGD-logG0= -0.004710 tlogG= -0.023527 logG= -0.028237 Density= 0.106792 ETOT(band)= -0.116785 trlgG= -0.145937 logG= -0.028237 TDE= -0.170546 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107899 ETOT(band)= -0.116955 trlgG= -0.147569 logG= -0.029381 TDE= -0.171582 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.023671 logG= -0.028644 Density= 0.106995 ETOT(band)= -0.116905 trlgG= -0.146281 logG= -0.028644 TDE= -0.170584 logGD-logG0= -0.005100 tlogG= -0.023638 logG= -0.028738 logGD-logG0= -0.005294 tlogG= -0.024166 logG= -0.029459 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108213 ETOT(band)= -0.116406 trlgG= -0.146523 logG= -0.028738 TDE= -0.171334 Density= 0.107823 ETOT(band)= -0.117043 trlgG= -0.147694 logG= -0.029459 TDE= -0.171591 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.024123 logG= -0.029090 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107394 ETOT(band)= -0.117010 trlgG= -0.147126 logG= -0.029090 TDE= -0.171179 logGD-logG0= -0.004879 tlogG= -0.023921 logG= -0.028799 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106775 ETOT(band)= -0.117087 trlgG= -0.146894 logG= -0.028799 TDE= -0.170932 logGD-logG0= -0.004838 tlogG= -0.022880 logG= -0.027718 logGD-logG0= -0.005276 tlogG= -0.023226 logG= -0.028503 Density= 0.107761 ETOT(band)= -0.116070 trlgG= -0.144917 logG= -0.027718 TDE= -0.170525 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023932 logG= -0.029219 Density= 0.107696 ETOT(band)= -0.116523 trlgG= -0.146138 logG= -0.028503 TDE= -0.170929 Density= 0.107764 ETOT(band)= -0.116913 trlgG= -0.147289 logG= -0.029219 TDE= -0.171398 logGD-logG0= -0.002389 tlogG= -0.010442 logG= -0.012831 Density= 0.054382 ETOT(band)= -0.057064 trlgG= -0.070693 logG= -0.012831 TDE= -0.084772 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004715 tlogG= -0.022882 logG= -0.027596 Density= 0.107314 ETOT(band)= -0.116212 trlgG= -0.145041 logG= -0.027596 TDE= -0.170549 logGD-logG0= -0.009732 tlogG= -0.048304 logG= -0.058036 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214433 ETOT(band)= -0.234099 trlgG= -0.294376 logG= -0.058036 TDE= -0.342452 logGD-logG0= -0.005248 tlogG= -0.023902 logG= -0.029150 Density= 0.107927 ETOT(band)= -0.116782 trlgG= -0.147184 logG= -0.029150 TDE= -0.171442 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.024091 logG= -0.029327 Density= 0.107958 ETOT(band)= -0.116888 trlgG= -0.147481 logG= -0.029327 TDE= -0.171577 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001682 tlogG= -0.007314 logG= -0.008996 logGD-logG0= -0.005285 tlogG= -0.023612 logG= -0.028897 Density= 0.035849 ETOT(band)= -0.038568 trlgG= -0.047906 logG= -0.008996 TDE= -0.056650 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107812 ETOT(band)= -0.116685 trlgG= -0.146769 logG= -0.028897 TDE= -0.171223 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009419 tlogG= -0.045821 logG= -0.055240 Density= 0.215049 ETOT(band)= -0.232259 trlgG= -0.289986 logG= -0.055240 TDE= -0.341163 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009597 tlogG= -0.047220 logG= -0.056816 logGD-logG0= -0.009698 tlogG= -0.045650 logG= -0.055349 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214398 ETOT(band)= -0.232606 trlgG= -0.290160 logG= -0.055349 TDE= -0.340907 Density= 0.213804 ETOT(band)= -0.233689 trlgG= -0.292796 logG= -0.056816 TDE= -0.341780 logGD-logG0= -0.009762 tlogG= -0.047211 logG= -0.056972 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213814 ETOT(band)= -0.233733 trlgG= -0.292588 logG= -0.056972 TDE= -0.341422 logGD-logG0= -0.001615 tlogG= -0.007002 logG= -0.008617 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009877 tlogG= -0.047961 logG= -0.057837 logGD-logG0= -0.010454 tlogG= -0.047808 logG= -0.058262 Density= 0.214787 ETOT(band)= -0.234025 trlgG= -0.294211 logG= -0.058262 TDE= -0.342237 Density= 0.036199 ETOT(band)= -0.038121 trlgG= -0.047247 logG= -0.008617 TDE= -0.056543 Density= 0.214003 ETOT(band)= -0.234135 trlgG= -0.294062 logG= -0.057837 TDE= -0.342124 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010258 tlogG= -0.048041 logG= -0.058299 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215101 ETOT(band)= -0.233935 trlgG= -0.294307 logG= -0.058299 TDE= -0.342452 logGD-logG0= -0.010001 tlogG= -0.048090 logG= -0.058091 logGD-logG0= -0.009370 tlogG= -0.047508 logG= -0.056878 Density= 0.214563 ETOT(band)= -0.234047 trlgG= -0.294126 logG= -0.058091 TDE= -0.342211 Density= 0.214345 ETOT(band)= -0.233522 trlgG= -0.292929 logG= -0.056878 TDE= -0.342120 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010118 tlogG= -0.047719 logG= -0.057838 logGD-logG0= -0.010410 tlogG= -0.048142 logG= -0.058552 Density= 0.213984 ETOT(band)= -0.234122 trlgG= -0.293814 logG= -0.057838 TDE= -0.341866 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215099 ETOT(band)= -0.234080 trlgG= -0.294724 logG= -0.058552 TDE= -0.342613 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002450 tlogG= -0.010856 logG= -0.013306 logGD-logG0= -0.010491 tlogG= -0.048076 logG= -0.058567 logGD-logG0= -0.010318 tlogG= -0.047848 logG= -0.058166 Density= 0.214687 ETOT(band)= -0.234019 trlgG= -0.294042 logG= -0.058166 TDE= -0.342113 Density= 0.215135 ETOT(band)= -0.234072 trlgG= -0.294751 logG= -0.058567 TDE= -0.342644 Density= 0.054069 ETOT(band)= -0.057580 trlgG= -0.071538 logG= -0.013306 TDE= -0.084988 logGD-logG0= -0.010471 tlogG= -0.048006 logG= -0.058477 logGD-logG0= -0.010347 tlogG= -0.047367 logG= -0.057714 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215919 ETOT(band)= -0.233648 trlgG= -0.294663 logG= -0.058477 TDE= -0.343033 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214295 ETOT(band)= -0.233917 trlgG= -0.293291 logG= -0.057714 TDE= -0.341621 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010545 tlogG= -0.047594 logG= -0.058138 Density= 0.215725 ETOT(band)= -0.233530 trlgG= -0.294099 logG= -0.058138 TDE= -0.342712 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010514 tlogG= -0.047483 logG= -0.057997 logGD-logG0= -0.010525 tlogG= -0.047955 logG= -0.058480 Density= 0.215792 ETOT(band)= -0.233720 trlgG= -0.294664 logG= -0.058480 TDE= -0.342969 Density= 0.215494 ETOT(band)= -0.233570 trlgG= -0.293858 logG= -0.057997 TDE= -0.342498 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010604 tlogG= -0.048207 logG= -0.058811 logGD-logG0= -0.010117 tlogG= -0.046473 logG= -0.056590 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215449 ETOT(band)= -0.234099 trlgG= -0.295190 logG= -0.058811 TDE= -0.342994 Density= 0.215244 ETOT(band)= -0.232900 trlgG= -0.291612 logG= -0.056590 TDE= -0.341536 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.046941 logG= -0.057497 Density= 0.215456 ETOT(band)= -0.233292 trlgG= -0.293057 logG= -0.057497 TDE= -0.342179 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009726 tlogG= -0.047285 logG= -0.057011 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214510 ETOT(band)= -0.233484 trlgG= -0.292704 logG= -0.057011 TDE= -0.341843 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.021908 logG= -0.026869 Density= 0.108334 ETOT(band)= -0.115226 trlgG= -0.143500 logG= -0.026869 TDE= -0.170240 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004876 tlogG= -0.021597 logG= -0.026473 logGD-logG0= -0.010028 tlogG= -0.047213 logG= -0.057242 logGD-logG0= -0.004795 tlogG= -0.021022 logG= -0.025817 Density= 0.108718 ETOT(band)= -0.114273 trlgG= -0.141665 logG= -0.025817 TDE= -0.169647 Density= 0.215179 ETOT(band)= -0.233301 trlgG= -0.292629 logG= -0.057242 TDE= -0.341869 Density= 0.108523 ETOT(band)= -0.114860 trlgG= -0.142821 logG= -0.026473 TDE= -0.170051 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001477 tlogG= -0.007820 logG= -0.009298 Density= 0.035499 ETOT(band)= -0.038915 trlgG= -0.048602 logG= -0.009298 TDE= -0.056871 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021848 logG= -0.026891 Density= 0.107802 ETOT(band)= -0.115513 trlgG= -0.143558 logG= -0.026891 TDE= -0.170013 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004984 tlogG= -0.021725 logG= -0.026709 Density= 0.107945 ETOT(band)= -0.115321 trlgG= -0.143249 logG= -0.026709 TDE= -0.169957 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001265 tlogG= -0.005864 logG= -0.007129 Density= 0.080659 ETOT(band)= -0.087597 trlgG= -0.110163 logG= -0.007129 TDE= -0.042807 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005992 logG= -0.007260 Density= 0.081069 ETOT(band)= -0.087537 trlgG= -0.110415 logG= -0.007260 TDE= -0.042891 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.024187 logG= -0.029174 Density= 0.214771 ETOT(band)= -0.234125 trlgG= -0.294517 logG= -0.029174 TDE= -0.171217 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005628 logG= -0.006857 Density= 0.080848 ETOT(band)= -0.086953 trlgG= -0.108605 logG= -0.006857 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008896 tlogG= -0.048151 logG= -0.057047 Density= 0.425621 ETOT(band)= -0.468235 trlgG= -0.586419 logG= -0.057047 TDE= -0.341740 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.021334 logG= -0.026210 Density= 0.162663 ETOT(band)= -0.172961 trlgG= -0.215916 logG= -0.026210 TDE= -0.169863 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009869 tlogG= -0.046460 logG= -0.056329 Density= 0.429595 ETOT(band)= -0.465472 trlgG= -0.581497 logG= -0.056329 TDE= -0.341293 logGD-logG0= -0.005087 tlogG= -0.022471 logG= -0.027558 Density= 0.216393 ETOT(band)= -0.231249 trlgG= -0.288599 logG= -0.027558 TDE= -0.170548 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023000 logG= -0.028148 Density= 0.216248 ETOT(band)= -0.232047 trlgG= -0.290584 logG= -0.028148 TDE= -0.170882 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009589 tlogG= -0.047706 logG= -0.057295 logGD-logG0= -0.004547 tlogG= -0.024000 logG= -0.028547 Density= 0.212851 ETOT(band)= -0.234219 trlgG= -0.293467 logG= -0.028547 TDE= -0.170812 Density= 0.426750 ETOT(band)= -0.468269 trlgG= -0.586942 logG= -0.057295 TDE= -0.341758 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.024037 logG= -0.028744 logGD-logG0= -0.004751 tlogG= -0.023274 logG= -0.028025 Density= 0.213538 ETOT(band)= -0.233565 trlgG= -0.292206 logG= -0.028025 TDE= -0.170725 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214155 ETOT(band)= -0.234040 trlgG= -0.294116 logG= -0.028744 TDE= -0.171211 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023223 logG= -0.028363 Density= 0.214899 ETOT(band)= -0.232912 trlgG= -0.291208 logG= -0.028363 TDE= -0.170599 logGD-logG0= -0.004620 tlogG= -0.023401 logG= -0.028021 Density= 0.214218 ETOT(band)= -0.233326 trlgG= -0.292322 logG= -0.028021 TDE= -0.170889 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009756 tlogG= -0.044685 logG= -0.054441 Density= 0.431661 ETOT(band)= -0.462006 trlgG= -0.574725 logG= -0.054441 TDE= -0.340378 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004269 tlogG= -0.024159 logG= -0.028428 Density= 0.212219 ETOT(band)= -0.234318 trlgG= -0.293662 logG= -0.028428 TDE= -0.170958 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005947 logG= -0.007217 Density= 0.080841 ETOT(band)= -0.087633 trlgG= -0.110361 logG= -0.007217 TDE= -0.042861 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001179 tlogG= -0.005179 logG= -0.006358 Density= 0.062550 ETOT(band)= -0.067531 trlgG= -0.084204 logG= -0.006358 TDE= -0.042355 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001572 tlogG= -0.006885 logG= -0.008456 logGD-logG0= -0.004459 tlogG= -0.023614 logG= -0.028072 Density= 0.212664 ETOT(band)= -0.233939 trlgG= -0.292717 logG= -0.028072 TDE= -0.170675 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040851 ETOT(band)= -0.042668 trlgG= -0.052798 logG= -0.008456 TDE= -0.056457 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001563 tlogG= -0.007597 logG= -0.009160 Density= 0.071509 ETOT(band)= -0.077332 trlgG= -0.096151 logG= -0.009160 TDE= -0.056731 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004403 tlogG= -0.023767 logG= -0.028170 Density= 0.213130 ETOT(band)= -0.233534 trlgG= -0.291744 logG= -0.028170 TDE= -0.170760 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005756 logG= -0.007006 Density= 0.080647 ETOT(band)= -0.087381 trlgG= -0.109607 logG= -0.007006 TDE= -0.042742 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004573 tlogG= -0.023918 logG= -0.028490 Density= 0.213322 ETOT(band)= -0.233811 trlgG= -0.292475 logG= -0.028490 TDE= -0.170764 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.024034 logG= -0.029226 Density= 0.215711 ETOT(band)= -0.233819 trlgG= -0.294818 logG= -0.029226 TDE= -0.171558 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001197 tlogG= -0.005315 logG= -0.006513 Density= 0.081564 ETOT(band)= -0.085675 trlgG= -0.106211 logG= -0.006513 TDE= -0.042457 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.022933 logG= -0.027871 Density= 0.214830 ETOT(band)= -0.232357 trlgG= -0.289678 logG= -0.027871 TDE= -0.170413 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023513 logG= -0.028734 Density= 0.215243 ETOT(band)= -0.233287 trlgG= -0.292898 logG= -0.028734 TDE= -0.171149 logGD-logG0= -0.005150 tlogG= -0.023989 logG= -0.029139 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216409 ETOT(band)= -0.233201 trlgG= -0.294113 logG= -0.029139 TDE= -0.171549 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.023832 logG= -0.029058 logGD-logG0= -0.005157 tlogG= -0.024032 logG= -0.029188 Density= 0.216375 ETOT(band)= -0.233305 trlgG= -0.294345 logG= -0.029188 TDE= -0.171576 Density= 0.215361 ETOT(band)= -0.233723 trlgG= -0.294162 logG= -0.029058 TDE= -0.171406 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023794 logG= -0.028964 Density= 0.216299 ETOT(band)= -0.233002 trlgG= -0.293408 logG= -0.028964 TDE= -0.171408 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023930 logG= -0.029264 logGD-logG0= -0.005044 tlogG= -0.023875 logG= -0.028919 logGD-logG0= -0.005285 tlogG= -0.024154 logG= -0.029440 Density= 0.215670 ETOT(band)= -0.233722 trlgG= -0.294546 logG= -0.029264 TDE= -0.171414 Density= 0.215521 ETOT(band)= -0.233720 trlgG= -0.294266 logG= -0.028919 TDE= -0.171094 Density= 0.215743 ETOT(band)= -0.233975 trlgG= -0.295233 logG= -0.029440 TDE= -0.171591 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.023716 logG= -0.029098 Density= 0.215434 ETOT(band)= -0.233573 trlgG= -0.293846 logG= -0.029098 TDE= -0.171237 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010342 tlogG= -0.047851 logG= -0.058193 Density= 0.324382 ETOT(band)= -0.349861 trlgG= -0.441015 logG= -0.058193 TDE= -0.342992 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.022322 logG= -0.027239 Density= 0.214297 ETOT(band)= -0.232395 trlgG= -0.289428 logG= -0.027239 TDE= -0.170148 logGD-logG0= -0.010116 tlogG= -0.045690 logG= -0.055806 Density= 0.324081 ETOT(band)= -0.347890 trlgG= -0.434959 logG= -0.055806 TDE= -0.341419 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.024192 logG= -0.029205 Density= 0.322483 ETOT(band)= -0.351160 trlgG= -0.442002 logG= -0.029205 TDE= -0.171212 logGD-logG0= -0.005046 tlogG= -0.023987 logG= -0.029033 Density= 0.214372 ETOT(band)= -0.234051 trlgG= -0.293899 logG= -0.029033 TDE= -0.171044 logGD-logG0= -0.005176 tlogG= -0.023447 logG= -0.028623 Density= 0.216220 ETOT(band)= -0.232621 trlgG= -0.292200 logG= -0.028623 TDE= -0.171169 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009389 tlogG= -0.046768 logG= -0.056157 logGD-logG0= -0.004741 tlogG= -0.024036 logG= -0.028776 Density= 0.321614 ETOT(band)= -0.351042 trlgG= -0.441320 logG= -0.028776 TDE= -0.171206 Density= 0.427967 ETOT(band)= -0.466034 trlgG= -0.581813 logG= -0.056157 TDE= -0.341180 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010388 tlogG= -0.047300 logG= -0.057688 Density= 0.324166 ETOT(band)= -0.349492 trlgG= -0.439666 logG= -0.057688 TDE= -0.342600 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004652 tlogG= -0.023397 logG= -0.028050 Density= 0.321686 ETOT(band)= -0.349992 trlgG= -0.438742 logG= -0.028050 TDE= -0.170881 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.024114 logG= -0.029332 Density= 0.323101 ETOT(band)= -0.351135 trlgG= -0.442654 logG= -0.029332 TDE= -0.171404 logGD-logG0= -0.004999 tlogG= -0.023275 logG= -0.028274 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009543 tlogG= -0.047825 logG= -0.057368 Density= 0.427251 ETOT(band)= -0.467821 trlgG= -0.585797 logG= -0.057368 TDE= -0.341460 logGD-logG0= -0.004887 tlogG= -0.023910 logG= -0.028797 Density= 0.321751 ETOT(band)= -0.350500 trlgG= -0.439595 logG= -0.028274 TDE= -0.170836 logGD-logG0= -0.010385 tlogG= -0.046480 logG= -0.056864 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324032 ETOT(band)= -0.348834 trlgG= -0.437578 logG= -0.056864 TDE= -0.342043 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213824 ETOT(band)= -0.233962 trlgG= -0.292988 logG= -0.028797 TDE= -0.170773 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010627 tlogG= -0.048103 logG= -0.058730 Density= 0.323285 ETOT(band)= -0.350928 trlgG= -0.442352 logG= -0.058730 TDE= -0.342984 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023866 logG= -0.028669 Density= 0.213611 ETOT(band)= -0.234099 trlgG= -0.293724 logG= -0.028669 TDE= -0.171029 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023990 logG= -0.029308 Density= 0.323697 ETOT(band)= -0.350603 trlgG= -0.442100 logG= -0.029308 TDE= -0.171463 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.023385 logG= -0.028789 Density= 0.215136 ETOT(band)= -0.233313 trlgG= -0.292704 logG= -0.028789 TDE= -0.170943 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009621 tlogG= -0.046665 logG= -0.056286 Density= 0.322750 ETOT(band)= -0.348952 trlgG= -0.436388 logG= -0.056286 TDE= -0.341572 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010081 tlogG= -0.048209 logG= -0.058289 Density= 0.429361 ETOT(band)= -0.468183 trlgG= -0.588593 logG= -0.058289 TDE= -0.342274 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009576 tlogG= -0.047899 logG= -0.057476 Density= 0.428106 ETOT(band)= -0.468063 trlgG= -0.587816 logG= -0.057476 TDE= -0.342227 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009908 tlogG= -0.044682 logG= -0.054590 logGD-logG0= -0.010425 tlogG= -0.048131 logG= -0.058556 Density= 0.324323 ETOT(band)= -0.346620 trlgG= -0.431949 logG= -0.054590 TDE= -0.340742 Density= 0.430199 ETOT(band)= -0.468021 trlgG= -0.589036 logG= -0.058556 TDE= -0.342613 logGD-logG0= -0.010191 tlogG= -0.047728 logG= -0.057919 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428358 ETOT(band)= -0.468049 trlgG= -0.587149 logG= -0.057919 TDE= -0.341868 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009440 tlogG= -0.046667 logG= -0.056107 Density= 0.428169 ETOT(band)= -0.466758 trlgG= -0.584421 logG= -0.056107 TDE= -0.341597 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009753 tlogG= -0.047914 logG= -0.057667 Density= 0.429198 ETOT(band)= -0.467845 trlgG= -0.587795 logG= -0.057667 TDE= -0.342215 logGD-logG0= -0.010249 tlogG= -0.048017 logG= -0.058266 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429265 ETOT(band)= -0.468144 trlgG= -0.588237 logG= -0.058266 TDE= -0.342113 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007128 logG= -0.008810 Density= 0.072237 ETOT(band)= -0.076468 trlgG= -0.094841 logG= -0.008810 TDE= -0.056617 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010594 tlogG= -0.047790 logG= -0.058384 logGD-logG0= -0.010215 tlogG= -0.048282 logG= -0.058496 Density= 0.430093 ETOT(band)= -0.468190 trlgG= -0.589363 logG= -0.058496 TDE= -0.342488 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430803 ETOT(band)= -0.467447 trlgG= -0.588326 logG= -0.058384 TDE= -0.342630 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010693 tlogG= -0.047757 logG= -0.058450 Density= 0.431142 ETOT(band)= -0.467392 trlgG= -0.588687 logG= -0.058450 TDE= -0.342737 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010617 tlogG= -0.048083 logG= -0.058700 Density= 0.431381 ETOT(band)= -0.467676 trlgG= -0.589681 logG= -0.058700 TDE= -0.343002 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022501 logG= -0.027389 Density= 0.215055 ETOT(band)= -0.231621 trlgG= -0.288035 logG= -0.027389 TDE= -0.170161 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009933 tlogG= -0.047619 logG= -0.057553 Density= 0.428674 ETOT(band)= -0.467394 trlgG= -0.586190 logG= -0.057553 TDE= -0.341913 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010253 tlogG= -0.046991 logG= -0.057244 Density= 0.429939 ETOT(band)= -0.466391 trlgG= -0.584196 logG= -0.057244 TDE= -0.341581 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021383 logG= -0.026343 logGD-logG0= -0.010653 tlogG= -0.047329 logG= -0.057982 Density= 0.217040 ETOT(band)= -0.229145 trlgG= -0.284281 logG= -0.026343 TDE= -0.169876 Density= 0.430535 ETOT(band)= -0.467021 trlgG= -0.586853 logG= -0.057982 TDE= -0.342246 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001217 tlogG= -0.005476 logG= -0.006693 Density= 0.081208 ETOT(band)= -0.086342 trlgG= -0.107369 logG= -0.006693 TDE= -0.042568 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004805 tlogG= -0.022357 logG= -0.027162 Density= 0.322917 ETOT(band)= -0.347920 trlgG= -0.433999 logG= -0.027162 TDE= -0.170229 logGD-logG0= -0.010178 tlogG= -0.047631 logG= -0.057808 Density= 0.430067 ETOT(band)= -0.467040 trlgG= -0.586127 logG= -0.057808 TDE= -0.342026 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.021912 logG= -0.026960 Density= 0.216648 ETOT(band)= -0.230252 trlgG= -0.286484 logG= -0.026960 TDE= -0.170208 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001423 tlogG= -0.007975 logG= -0.009397 logGD-logG0= -0.004765 tlogG= -0.022357 logG= -0.027121 Density= 0.215060 ETOT(band)= -0.231911 trlgG= -0.289079 logG= -0.027121 TDE= -0.170235 Density= 0.070882 ETOT(band)= -0.077931 trlgG= -0.097445 logG= -0.009397 TDE= -0.056956 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.021238 logG= -0.026156 Density= 0.216369 ETOT(band)= -0.230003 trlgG= -0.285534 logG= -0.026156 TDE= -0.169783 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.762060063676 eV TrLogG= -407.275919907241 eV Ratio to renormalize= 0.999891126020 rho-rho_expected= 0.002395488358 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 46) Finished k-point number 94 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964595573073485 0.940285657977146 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002590 tlogG= -0.012047 logG= -0.014637 Density= 0.053769 ETOT(band)= -0.058522 trlgG= -0.073678 logG= -0.014637 TDE= -0.085649 logGD-logG0= -0.002407 tlogG= -0.012097 logG= -0.014504 Density= 0.053592 ETOT(band)= -0.058532 trlgG= -0.073620 logG= -0.014504 TDE= -0.085636 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002546 tlogG= -0.012000 logG= -0.014546 Density= 0.054142 ETOT(band)= -0.058286 trlgG= -0.073543 logG= -0.014546 TDE= -0.085790 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023903 logG= -0.029002 Density= 0.108258 ETOT(band)= -0.116531 trlgG= -0.146942 logG= -0.029002 TDE= -0.171511 logGD-logG0= -0.005101 tlogG= -0.023637 logG= -0.028738 Density= 0.108212 ETOT(band)= -0.116405 trlgG= -0.146520 logG= -0.028738 TDE= -0.171332 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.023611 logG= -0.028896 Density= 0.107811 ETOT(band)= -0.116683 trlgG= -0.146766 logG= -0.028896 TDE= -0.171221 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.021907 logG= -0.026868 Density= 0.108333 ETOT(band)= -0.115224 trlgG= -0.143497 logG= -0.026868 TDE= -0.170238 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009964 tlogG= -0.043448 logG= -0.053412 Density= 0.216300 ETOT(band)= -0.230429 trlgG= -0.286472 logG= -0.053412 TDE= -0.340097 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002312 tlogG= -0.011898 logG= -0.014210 Density= 0.053570 ETOT(band)= -0.058387 trlgG= -0.073257 logG= -0.014210 TDE= -0.085556 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022202 logG= -0.027128 Density= 0.108368 ETOT(band)= -0.115409 trlgG= -0.143946 logG= -0.027128 TDE= -0.170445 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023247 logG= -0.028317 logGD-logG0= -0.004974 tlogG= -0.023670 logG= -0.028644 Density= 0.106995 ETOT(band)= -0.116903 trlgG= -0.146279 logG= -0.028644 TDE= -0.170582 Density= 0.108203 ETOT(band)= -0.116181 trlgG= -0.145857 logG= -0.028317 TDE= -0.171084 logGD-logG0= -0.002320 tlogG= -0.011462 logG= -0.013782 Density= 0.053744 ETOT(band)= -0.058057 trlgG= -0.072494 logG= -0.013782 TDE= -0.085307 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001478 tlogG= -0.007820 logG= -0.009298 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035499 ETOT(band)= -0.038915 trlgG= -0.048601 logG= -0.009298 TDE= -0.056870 logGD-logG0= -0.005085 tlogG= -0.022905 logG= -0.027990 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004655 tlogG= -0.023696 logG= -0.028350 Density= 0.106617 ETOT(band)= -0.116929 trlgG= -0.146363 logG= -0.028350 TDE= -0.170772 Density= 0.107630 ETOT(band)= -0.116272 trlgG= -0.145326 logG= -0.027990 TDE= -0.170596 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022766 logG= -0.027770 Density= 0.108258 ETOT(band)= -0.115851 trlgG= -0.144990 logG= -0.027770 TDE= -0.170791 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023920 logG= -0.028799 Density= 0.106775 ETOT(band)= -0.117085 trlgG= -0.146891 logG= -0.028799 TDE= -0.170930 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004715 tlogG= -0.022881 logG= -0.027596 Density= 0.107313 ETOT(band)= -0.116210 trlgG= -0.145039 logG= -0.027596 TDE= -0.170547 logGD-logG0= -0.001396 tlogG= -0.008053 logG= -0.009449 logGD-logG0= -0.005009 tlogG= -0.022489 logG= -0.027498 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108213 ETOT(band)= -0.115714 trlgG= -0.144553 logG= -0.027498 TDE= -0.170605 Density= 0.035321 ETOT(band)= -0.039065 trlgG= -0.048964 logG= -0.009449 TDE= -0.056993 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023795 logG= -0.028919 Density= 0.108187 ETOT(band)= -0.116520 trlgG= -0.146812 logG= -0.028919 TDE= -0.171429 logGD-logG0= -0.004295 tlogG= -0.024078 logG= -0.028373 logGD-logG0= -0.005254 tlogG= -0.024101 logG= -0.029355 Density= 0.107655 ETOT(band)= -0.117045 trlgG= -0.147502 logG= -0.029355 TDE= -0.171420 Density= 0.106140 ETOT(band)= -0.117132 trlgG= -0.146767 logG= -0.028373 TDE= -0.170917 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.023982 logG= -0.029093 Density= 0.108237 ETOT(band)= -0.116595 trlgG= -0.147090 logG= -0.029093 TDE= -0.171559 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004519 tlogG= -0.024073 logG= -0.028592 logGD-logG0= -0.005119 tlogG= -0.023462 logG= -0.028581 logGD-logG0= -0.004322 tlogG= -0.024001 logG= -0.028323 Density= 0.106192 ETOT(band)= -0.117089 trlgG= -0.146654 logG= -0.028323 TDE= -0.170880 Density= 0.106409 ETOT(band)= -0.117122 trlgG= -0.146778 logG= -0.028592 TDE= -0.170843 logGD-logG0= -0.004838 tlogG= -0.022879 logG= -0.027717 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108140 ETOT(band)= -0.116358 trlgG= -0.146275 logG= -0.028581 TDE= -0.171208 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107761 ETOT(band)= -0.116068 trlgG= -0.144915 logG= -0.027717 TDE= -0.170523 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.023014 logG= -0.028091 logGD-logG0= -0.002615 tlogG= -0.012003 logG= -0.014618 Density= 0.108145 ETOT(band)= -0.116087 trlgG= -0.145501 logG= -0.028091 TDE= -0.170925 logGD-logG0= -0.004804 tlogG= -0.023718 logG= -0.028522 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053988 ETOT(band)= -0.058406 trlgG= -0.073663 logG= -0.014618 TDE= -0.085761 logGD-logG0= -0.004598 tlogG= -0.023232 logG= -0.027830 Density= 0.106756 ETOT(band)= -0.116592 trlgG= -0.145450 logG= -0.027830 TDE= -0.170448 Density= 0.107393 ETOT(band)= -0.116697 trlgG= -0.146381 logG= -0.028522 TDE= -0.171003 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023713 logG= -0.028974 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107246 ETOT(band)= -0.116976 trlgG= -0.146831 logG= -0.028974 TDE= -0.170928 logGD-logG0= -0.005287 tlogG= -0.023932 logG= -0.029218 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107763 ETOT(band)= -0.116911 trlgG= -0.147287 logG= -0.029218 TDE= -0.171395 logGD-logG0= -0.005294 tlogG= -0.024165 logG= -0.029459 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107822 ETOT(band)= -0.117041 trlgG= -0.147692 logG= -0.029459 TDE= -0.171588 logGD-logG0= -0.004682 tlogG= -0.023716 logG= -0.028398 Density= 0.106993 ETOT(band)= -0.116814 trlgG= -0.146470 logG= -0.028398 TDE= -0.171018 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023996 logG= -0.029200 logGD-logG0= -0.004685 tlogG= -0.023016 logG= -0.027701 Density= 0.106891 ETOT(band)= -0.116461 trlgG= -0.145188 logG= -0.027701 TDE= -0.170382 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107457 ETOT(band)= -0.117030 trlgG= -0.147227 logG= -0.029200 TDE= -0.171202 logGD-logG0= -0.004855 tlogG= -0.024098 logG= -0.028953 Density= 0.107072 ETOT(band)= -0.117068 trlgG= -0.147147 logG= -0.028953 TDE= -0.171179 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.024122 logG= -0.029090 logGD-logG0= -0.004987 tlogG= -0.022437 logG= -0.027424 Density= 0.107649 ETOT(band)= -0.115938 trlgG= -0.144430 logG= -0.027424 TDE= -0.170275 Density= 0.107393 ETOT(band)= -0.117008 trlgG= -0.147123 logG= -0.029090 TDE= -0.171177 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004710 tlogG= -0.023527 logG= -0.028237 Density= 0.106792 ETOT(band)= -0.116783 trlgG= -0.145935 logG= -0.028237 TDE= -0.170544 logGD-logG0= -0.005262 tlogG= -0.024118 logG= -0.029380 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107898 ETOT(band)= -0.116954 trlgG= -0.147567 logG= -0.029380 TDE= -0.171580 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023226 logG= -0.028502 Density= 0.107695 ETOT(band)= -0.116521 trlgG= -0.146136 logG= -0.028502 TDE= -0.170927 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023902 logG= -0.029150 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107926 ETOT(band)= -0.116780 trlgG= -0.147182 logG= -0.029150 TDE= -0.171440 logGD-logG0= -0.000195 tlogG= -0.000854 logG= -0.001049 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 logGD-logG0= -0.009732 tlogG= -0.048303 logG= -0.058035 Density= 0.214432 ETOT(band)= -0.234096 trlgG= -0.294371 logG= -0.058035 TDE= -0.342448 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009420 tlogG= -0.045819 logG= -0.055239 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215048 ETOT(band)= -0.232256 trlgG= -0.289981 logG= -0.055239 TDE= -0.341158 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009699 tlogG= -0.045649 logG= -0.055347 Density= 0.214397 ETOT(band)= -0.232603 trlgG= -0.290155 logG= -0.055347 TDE= -0.340902 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009877 tlogG= -0.047959 logG= -0.057836 Density= 0.214002 ETOT(band)= -0.234132 trlgG= -0.294057 logG= -0.057836 TDE= -0.342120 logGD-logG0= -0.002450 tlogG= -0.010856 logG= -0.013306 logGD-logG0= -0.005237 tlogG= -0.024090 logG= -0.029327 logGD-logG0= -0.009597 tlogG= -0.047218 logG= -0.056815 Density= 0.107957 ETOT(band)= -0.116887 trlgG= -0.147479 logG= -0.029327 TDE= -0.171575 Density= 0.054069 ETOT(band)= -0.057579 trlgG= -0.071537 logG= -0.013306 TDE= -0.084987 logGD-logG0= -0.002389 tlogG= -0.010442 logG= -0.012831 Density= 0.054382 ETOT(band)= -0.057063 trlgG= -0.070692 logG= -0.012831 TDE= -0.084771 Density= 0.213803 ETOT(band)= -0.233685 trlgG= -0.292791 logG= -0.056815 TDE= -0.341776 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009487 tlogG= -0.047985 logG= -0.057473 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213311 ETOT(band)= -0.234192 trlgG= -0.293504 logG= -0.057473 TDE= -0.341588 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010455 tlogG= -0.047806 logG= -0.058261 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009058 tlogG= -0.047685 logG= -0.056743 Density= 0.212967 ETOT(band)= -0.233980 trlgG= -0.292859 logG= -0.056743 TDE= -0.341502 Density= 0.214786 ETOT(band)= -0.234022 trlgG= -0.294207 logG= -0.058261 TDE= -0.342232 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009371 tlogG= -0.047506 logG= -0.056877 Density= 0.214344 ETOT(band)= -0.233519 trlgG= -0.292924 logG= -0.056877 TDE= -0.342116 logGD-logG0= -0.009804 tlogG= -0.045709 logG= -0.055513 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215179 ETOT(band)= -0.232333 trlgG= -0.289974 logG= -0.055513 TDE= -0.340942 logGD-logG0= -0.010410 tlogG= -0.048141 logG= -0.058551 logGD-logG0= -0.001682 tlogG= -0.007313 logG= -0.008996 Density= 0.035849 ETOT(band)= -0.038567 trlgG= -0.047905 logG= -0.008996 TDE= -0.056649 Density= 0.215098 ETOT(band)= -0.234077 trlgG= -0.294719 logG= -0.058551 TDE= -0.342609 logGD-logG0= -0.010258 tlogG= -0.048039 logG= -0.058298 Density= 0.215100 ETOT(band)= -0.233932 trlgG= -0.294303 logG= -0.058298 TDE= -0.342447 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010546 tlogG= -0.047592 logG= -0.058138 logGD-logG0= -0.009762 tlogG= -0.047210 logG= -0.056971 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010472 tlogG= -0.048005 logG= -0.058476 Density= 0.215918 ETOT(band)= -0.233645 trlgG= -0.294658 logG= -0.058476 TDE= -0.343029 Density= 0.213813 ETOT(band)= -0.233730 trlgG= -0.292584 logG= -0.056971 TDE= -0.341418 Density= 0.215723 ETOT(band)= -0.233527 trlgG= -0.294095 logG= -0.058138 TDE= -0.342708 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010002 tlogG= -0.048088 logG= -0.058090 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048075 logG= -0.058566 Density= 0.215134 ETOT(band)= -0.234069 trlgG= -0.294746 logG= -0.058566 TDE= -0.342639 logGD-logG0= -0.010347 tlogG= -0.047366 logG= -0.057713 logGD-logG0= -0.001615 tlogG= -0.007002 logG= -0.008617 Density= 0.036199 ETOT(band)= -0.038120 trlgG= -0.047246 logG= -0.008617 TDE= -0.056542 Density= 0.214294 ETOT(band)= -0.233913 trlgG= -0.293287 logG= -0.057713 TDE= -0.341617 Density= 0.214562 ETOT(band)= -0.234044 trlgG= -0.294121 logG= -0.058090 TDE= -0.342207 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010604 tlogG= -0.048206 logG= -0.058810 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215448 ETOT(band)= -0.234096 trlgG= -0.295185 logG= -0.058810 TDE= -0.342989 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010319 tlogG= -0.047846 logG= -0.058165 Density= 0.214686 ETOT(band)= -0.234015 trlgG= -0.294037 logG= -0.058165 TDE= -0.342109 logGD-logG0= -0.010117 tlogG= -0.046472 logG= -0.056589 logGD-logG0= -0.010119 tlogG= -0.047718 logG= -0.057837 Density= 0.213983 ETOT(band)= -0.234119 trlgG= -0.293809 logG= -0.057837 TDE= -0.341862 Density= 0.215243 ETOT(band)= -0.232896 trlgG= -0.291607 logG= -0.056589 TDE= -0.341531 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010514 tlogG= -0.047482 logG= -0.057996 logGD-logG0= -0.010526 tlogG= -0.047953 logG= -0.058479 Density= 0.215791 ETOT(band)= -0.233716 trlgG= -0.294659 logG= -0.058479 TDE= -0.342964 logGD-logG0= -0.010556 tlogG= -0.046939 logG= -0.057496 Density= 0.215455 ETOT(band)= -0.233289 trlgG= -0.293052 logG= -0.057496 TDE= -0.342174 Density= 0.215492 ETOT(band)= -0.233566 trlgG= -0.293853 logG= -0.057996 TDE= -0.342493 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009726 tlogG= -0.047283 logG= -0.057010 Density= 0.214508 ETOT(band)= -0.233481 trlgG= -0.292699 logG= -0.057010 TDE= -0.341839 logGD-logG0= -0.010029 tlogG= -0.047212 logG= -0.057241 Density= 0.215178 ETOT(band)= -0.233298 trlgG= -0.292624 logG= -0.057241 TDE= -0.341865 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.021021 logG= -0.025816 Density= 0.108717 ETOT(band)= -0.114272 trlgG= -0.141663 logG= -0.025816 TDE= -0.169645 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004876 tlogG= -0.021596 logG= -0.026472 Density= 0.108522 ETOT(band)= -0.114859 trlgG= -0.142819 logG= -0.026472 TDE= -0.170049 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005044 tlogG= -0.021847 logG= -0.026891 Density= 0.107802 ETOT(band)= -0.115511 trlgG= -0.143556 logG= -0.026891 TDE= -0.170011 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004984 tlogG= -0.021724 logG= -0.026708 Density= 0.107944 ETOT(band)= -0.115319 trlgG= -0.143247 logG= -0.026708 TDE= -0.169955 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001270 tlogG= -0.005947 logG= -0.007217 Density= 0.080841 ETOT(band)= -0.087632 trlgG= -0.110359 logG= -0.007217 TDE= -0.042861 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005863 logG= -0.007128 Density= 0.080658 ETOT(band)= -0.087596 trlgG= -0.110161 logG= -0.007128 TDE= -0.042807 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023988 logG= -0.029138 Density= 0.216408 ETOT(band)= -0.233198 trlgG= -0.294109 logG= -0.029138 TDE= -0.171547 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023793 logG= -0.028963 Density= 0.216298 ETOT(band)= -0.232999 trlgG= -0.293403 logG= -0.028963 TDE= -0.171406 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005382 tlogG= -0.023716 logG= -0.029097 Density= 0.215433 ETOT(band)= -0.233569 trlgG= -0.293842 logG= -0.029097 TDE= -0.171235 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.021333 logG= -0.026210 Density= 0.162662 ETOT(band)= -0.172959 trlgG= -0.215913 logG= -0.026210 TDE= -0.169861 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009908 tlogG= -0.044681 logG= -0.054589 Density= 0.324322 ETOT(band)= -0.346615 trlgG= -0.431942 logG= -0.054589 TDE= -0.340737 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009756 tlogG= -0.044683 logG= -0.054440 Density= 0.431659 ETOT(band)= -0.462000 trlgG= -0.574716 logG= -0.054440 TDE= -0.340374 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001250 tlogG= -0.005756 logG= -0.007006 logGD-logG0= -0.005176 tlogG= -0.023447 logG= -0.028623 Density= 0.080647 ETOT(band)= -0.087380 trlgG= -0.109606 logG= -0.007006 TDE= -0.042741 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.023910 logG= -0.028797 Density= 0.213823 ETOT(band)= -0.233959 trlgG= -0.292983 logG= -0.028797 TDE= -0.170771 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216219 ETOT(band)= -0.232618 trlgG= -0.292195 logG= -0.028623 TDE= -0.171167 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005627 logG= -0.006857 Density= 0.080847 ETOT(band)= -0.086952 trlgG= -0.108603 logG= -0.006857 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004751 tlogG= -0.023274 logG= -0.028025 Density= 0.213537 ETOT(band)= -0.233561 trlgG= -0.292201 logG= -0.028025 TDE= -0.170723 logGD-logG0= -0.005148 tlogG= -0.023000 logG= -0.028148 Density= 0.216247 ETOT(band)= -0.232044 trlgG= -0.290579 logG= -0.028148 TDE= -0.170880 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023866 logG= -0.028668 Density= 0.213610 ETOT(band)= -0.234096 trlgG= -0.293719 logG= -0.028668 TDE= -0.171027 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023222 logG= -0.028362 Density= 0.214898 ETOT(band)= -0.232909 trlgG= -0.291203 logG= -0.028362 TDE= -0.170597 logGD-logG0= -0.001268 tlogG= -0.005992 logG= -0.007260 Density= 0.081068 ETOT(band)= -0.087536 trlgG= -0.110413 logG= -0.007260 TDE= -0.042891 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001423 tlogG= -0.007974 logG= -0.009397 Density= 0.070882 ETOT(band)= -0.077930 trlgG= -0.097444 logG= -0.009397 TDE= -0.056955 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.022470 logG= -0.027557 Density= 0.216392 ETOT(band)= -0.231246 trlgG= -0.288594 logG= -0.027557 TDE= -0.170546 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004573 tlogG= -0.023917 logG= -0.028490 Density= 0.213321 ETOT(band)= -0.233808 trlgG= -0.292471 logG= -0.028490 TDE= -0.170762 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.024033 logG= -0.029226 Density= 0.215709 ETOT(band)= -0.233816 trlgG= -0.294813 logG= -0.029226 TDE= -0.171556 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001179 tlogG= -0.005179 logG= -0.006358 Density= 0.062550 ETOT(band)= -0.067530 trlgG= -0.084203 logG= -0.006358 TDE= -0.042354 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.022932 logG= -0.027871 Density= 0.214829 ETOT(band)= -0.232353 trlgG= -0.289673 logG= -0.027871 TDE= -0.170410 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023831 logG= -0.029057 Density= 0.215359 ETOT(band)= -0.233720 trlgG= -0.294157 logG= -0.029057 TDE= -0.171404 logGD-logG0= -0.004269 tlogG= -0.024158 logG= -0.028427 Density= 0.212218 ETOT(band)= -0.234314 trlgG= -0.293658 logG= -0.028427 TDE= -0.170956 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023512 logG= -0.028734 Density= 0.215242 ETOT(band)= -0.233284 trlgG= -0.292893 logG= -0.028734 TDE= -0.171147 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.024031 logG= -0.029188 Density= 0.216374 ETOT(band)= -0.233302 trlgG= -0.294341 logG= -0.029188 TDE= -0.171574 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.024035 logG= -0.028776 Density= 0.321613 ETOT(band)= -0.351037 trlgG= -0.441313 logG= -0.028776 TDE= -0.171204 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004459 tlogG= -0.023613 logG= -0.028072 Density= 0.212663 ETOT(band)= -0.233935 trlgG= -0.292712 logG= -0.028072 TDE= -0.170673 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004403 tlogG= -0.023767 logG= -0.028170 Density= 0.213129 ETOT(band)= -0.233530 trlgG= -0.291739 logG= -0.028170 TDE= -0.170758 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005044 tlogG= -0.023874 logG= -0.028919 Density= 0.215520 ETOT(band)= -0.233717 trlgG= -0.294261 logG= -0.028919 TDE= -0.171091 logGD-logG0= -0.004653 tlogG= -0.023397 logG= -0.028049 logGD-logG0= -0.004918 tlogG= -0.022321 logG= -0.027239 Density= 0.214296 ETOT(band)= -0.232391 trlgG= -0.289423 logG= -0.027239 TDE= -0.170146 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.024192 logG= -0.029204 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007127 logG= -0.008810 Density= 0.072237 ETOT(band)= -0.076467 trlgG= -0.094839 logG= -0.008810 TDE= -0.056616 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322482 ETOT(band)= -0.351155 trlgG= -0.441995 logG= -0.029204 TDE= -0.171210 logGD-logG0= -0.005046 tlogG= -0.023986 logG= -0.029033 Density= 0.214371 ETOT(band)= -0.234047 trlgG= -0.293894 logG= -0.029033 TDE= -0.171042 Density= 0.321684 ETOT(band)= -0.349987 trlgG= -0.438735 logG= -0.028049 TDE= -0.170879 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004547 tlogG= -0.023999 logG= -0.028546 Density= 0.212850 ETOT(band)= -0.234215 trlgG= -0.293462 logG= -0.028546 TDE= -0.170810 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010116 tlogG= -0.045689 logG= -0.055805 logGD-logG0= -0.005286 tlogG= -0.024153 logG= -0.029439 Density= 0.324080 ETOT(band)= -0.347885 trlgG= -0.434952 logG= -0.055805 TDE= -0.341415 Density= 0.215742 ETOT(band)= -0.233972 trlgG= -0.295228 logG= -0.029439 TDE= -0.171588 logGD-logG0= -0.005218 tlogG= -0.024114 logG= -0.029332 Density= 0.323099 ETOT(band)= -0.351130 trlgG= -0.442647 logG= -0.029332 TDE= -0.171402 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010343 tlogG= -0.047849 logG= -0.058192 Density= 0.324380 ETOT(band)= -0.349856 trlgG= -0.441008 logG= -0.058192 TDE= -0.342988 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009621 tlogG= -0.046664 logG= -0.056285 logGD-logG0= -0.010628 tlogG= -0.048102 logG= -0.058729 Density= 0.323284 ETOT(band)= -0.350923 trlgG= -0.442345 logG= -0.058729 TDE= -0.342979 logGD-logG0= -0.001563 tlogG= -0.007597 logG= -0.009160 Density= 0.071509 ETOT(band)= -0.077331 trlgG= -0.096149 logG= -0.009160 TDE= -0.056730 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322748 ETOT(band)= -0.348947 trlgG= -0.436381 logG= -0.056285 TDE= -0.341568 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023929 logG= -0.029263 Density= 0.215669 ETOT(band)= -0.233718 trlgG= -0.294541 logG= -0.029263 TDE= -0.171412 logGD-logG0= -0.004708 tlogG= -0.024036 logG= -0.028744 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.024186 logG= -0.029173 Density= 0.214154 ETOT(band)= -0.234037 trlgG= -0.294111 logG= -0.028744 TDE= -0.171209 Density= 0.214770 ETOT(band)= -0.234122 trlgG= -0.294512 logG= -0.029173 TDE= -0.171215 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.023274 logG= -0.028273 Density= 0.321750 ETOT(band)= -0.350495 trlgG= -0.439587 logG= -0.028273 TDE= -0.170833 logGD-logG0= -0.010389 tlogG= -0.047299 logG= -0.057687 Density= 0.324164 ETOT(band)= -0.349488 trlgG= -0.439659 logG= -0.057687 TDE= -0.342596 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004620 tlogG= -0.023400 logG= -0.028020 logGD-logG0= -0.005319 tlogG= -0.023989 logG= -0.029307 Density= 0.323695 ETOT(band)= -0.350598 trlgG= -0.442093 logG= -0.029307 TDE= -0.171460 logGD-logG0= -0.005049 tlogG= -0.021911 logG= -0.026960 Density= 0.216647 ETOT(band)= -0.230249 trlgG= -0.286479 logG= -0.026960 TDE= -0.170206 Density= 0.214217 ETOT(band)= -0.233323 trlgG= -0.292317 logG= -0.028020 TDE= -0.170887 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010385 tlogG= -0.046478 logG= -0.056863 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324031 ETOT(band)= -0.348830 trlgG= -0.437572 logG= -0.056863 TDE= -0.342039 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021383 logG= -0.026342 Density= 0.217038 ETOT(band)= -0.229142 trlgG= -0.284276 logG= -0.026342 TDE= -0.169874 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005405 tlogG= -0.023384 logG= -0.028789 Density= 0.215134 ETOT(band)= -0.233310 trlgG= -0.292700 logG= -0.028789 TDE= -0.170941 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009389 tlogG= -0.046767 logG= -0.056156 Density= 0.427965 ETOT(band)= -0.466028 trlgG= -0.581803 logG= -0.056156 TDE= -0.341176 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.022356 logG= -0.027121 logGD-logG0= -0.009577 tlogG= -0.047898 logG= -0.057475 Density= 0.215059 ETOT(band)= -0.231907 trlgG= -0.289074 logG= -0.027121 TDE= -0.170233 Density= 0.428104 ETOT(band)= -0.468057 trlgG= -0.587807 logG= -0.057475 TDE= -0.342223 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010081 tlogG= -0.048207 logG= -0.058288 Density= 0.429359 ETOT(band)= -0.468176 trlgG= -0.588584 logG= -0.058288 TDE= -0.342270 logGD-logG0= -0.001198 tlogG= -0.005315 logG= -0.006513 Density= 0.081564 ETOT(band)= -0.085674 trlgG= -0.106209 logG= -0.006513 TDE= -0.042456 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010694 tlogG= -0.047756 logG= -0.058449 Density= 0.431140 ETOT(band)= -0.467386 trlgG= -0.588678 logG= -0.058449 TDE= -0.342733 logGD-logG0= -0.010192 tlogG= -0.047726 logG= -0.057918 logGD-logG0= -0.008896 tlogG= -0.048150 logG= -0.057046 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425619 ETOT(band)= -0.468228 trlgG= -0.586410 logG= -0.057046 TDE= -0.341736 Density= 0.428356 ETOT(band)= -0.468042 trlgG= -0.587140 logG= -0.057918 TDE= -0.341864 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.021238 logG= -0.026156 Density= 0.216368 ETOT(band)= -0.230000 trlgG= -0.285530 logG= -0.026156 TDE= -0.169781 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009440 tlogG= -0.046666 logG= -0.056106 logGD-logG0= -0.010215 tlogG= -0.048281 logG= -0.058495 Density= 0.428167 ETOT(band)= -0.466752 trlgG= -0.584412 logG= -0.056106 TDE= -0.341593 Density= 0.430091 ETOT(band)= -0.468184 trlgG= -0.589353 logG= -0.058495 TDE= -0.342483 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010425 tlogG= -0.048130 logG= -0.058555 Density= 0.430197 ETOT(band)= -0.468015 trlgG= -0.589026 logG= -0.058555 TDE= -0.342609 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009869 tlogG= -0.046459 logG= -0.056328 logGD-logG0= -0.009589 tlogG= -0.047705 logG= -0.057294 Density= 0.426748 ETOT(band)= -0.468262 trlgG= -0.586932 logG= -0.057294 TDE= -0.341754 logGD-logG0= -0.010594 tlogG= -0.047789 logG= -0.058383 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009754 tlogG= -0.047912 logG= -0.057666 Density= 0.429196 ETOT(band)= -0.467839 trlgG= -0.587786 logG= -0.057666 TDE= -0.342211 Density= 0.429593 ETOT(band)= -0.465466 trlgG= -0.581487 logG= -0.056328 TDE= -0.341288 Density= 0.430801 ETOT(band)= -0.467441 trlgG= -0.588316 logG= -0.058383 TDE= -0.342626 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.048016 logG= -0.058265 Density= 0.429263 ETOT(band)= -0.468137 trlgG= -0.588227 logG= -0.058265 TDE= -0.342109 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.048081 logG= -0.058699 Density= 0.431379 ETOT(band)= -0.467670 trlgG= -0.589672 logG= -0.058699 TDE= -0.342997 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010254 tlogG= -0.046990 logG= -0.057243 Density= 0.429937 ETOT(band)= -0.466385 trlgG= -0.584186 logG= -0.057243 TDE= -0.341577 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009543 tlogG= -0.047824 logG= -0.057367 Density= 0.427249 ETOT(band)= -0.467814 trlgG= -0.585787 logG= -0.057367 TDE= -0.341456 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004805 tlogG= -0.022357 logG= -0.027162 Density= 0.322916 ETOT(band)= -0.347915 trlgG= -0.433992 logG= -0.027162 TDE= -0.170227 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010653 tlogG= -0.047327 logG= -0.057981 logGD-logG0= -0.001217 tlogG= -0.005476 logG= -0.006693 Density= 0.081208 ETOT(band)= -0.086340 trlgG= -0.107367 logG= -0.006693 TDE= -0.042567 logGD-logG0= -0.010178 tlogG= -0.047629 logG= -0.057807 Density= 0.430533 ETOT(band)= -0.467015 trlgG= -0.586843 logG= -0.057981 TDE= -0.342242 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430065 ETOT(band)= -0.467033 trlgG= -0.586117 logG= -0.057807 TDE= -0.342022 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009934 tlogG= -0.047618 logG= -0.057552 Density= 0.428672 ETOT(band)= -0.467387 trlgG= -0.586181 logG= -0.057552 TDE= -0.341909 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.022500 logG= -0.027388 Density= 0.215054 ETOT(band)= -0.231618 trlgG= -0.288030 logG= -0.027388 TDE= -0.170159 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001572 tlogG= -0.006885 logG= -0.008456 Density= 0.040850 ETOT(band)= -0.042667 trlgG= -0.052798 logG= -0.008456 TDE= -0.056456 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.757510983259 eV TrLogG= -407.268586657729 eV Ratio to renormalize= 0.999896305857 rho-rho_expected= 0.002281507734 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 70) Finished k-point number 142 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 51) Finished k-point number 104 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 61) Finished k-point number 124 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964581347448867 0.940265383053464 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002325 tlogG= -0.011890 logG= -0.014215 Density= 0.053586 ETOT(band)= -0.058381 trlgG= -0.073253 logG= -0.014215 TDE= -0.085555 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.024058 logG= -0.028601 Density= 0.106437 ETOT(band)= -0.117110 trlgG= -0.146771 logG= -0.028601 TDE= -0.170841 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023230 logG= -0.028328 Density= 0.108242 ETOT(band)= -0.116166 trlgG= -0.145846 logG= -0.028328 TDE= -0.171082 logGD-logG0= -0.004902 tlogG= -0.023905 logG= -0.028808 logGD-logG0= -0.005112 tlogG= -0.022888 logG= -0.028000 Density= 0.107665 ETOT(band)= -0.116258 trlgG= -0.145317 logG= -0.028000 TDE= -0.170595 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106806 ETOT(band)= -0.117072 trlgG= -0.146883 logG= -0.028808 TDE= -0.170928 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.024082 logG= -0.028962 Density= 0.107105 ETOT(band)= -0.117054 trlgG= -0.147139 logG= -0.028962 TDE= -0.171177 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.022865 logG= -0.027606 Density= 0.107347 ETOT(band)= -0.116197 trlgG= -0.145030 logG= -0.027606 TDE= -0.170545 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002464 tlogG= -0.010847 logG= -0.013311 Density= 0.054088 ETOT(band)= -0.057572 trlgG= -0.071532 logG= -0.013311 TDE= -0.084986 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012039 logG= -0.014641 Density= 0.053787 ETOT(band)= -0.058514 trlgG= -0.073673 logG= -0.014641 TDE= -0.085648 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011454 logG= -0.013787 Density= 0.053761 ETOT(band)= -0.058051 trlgG= -0.072489 logG= -0.013787 TDE= -0.085306 logGD-logG0= -0.001486 tlogG= -0.007815 logG= -0.009301 Density= 0.035509 ETOT(band)= -0.038910 trlgG= -0.048598 logG= -0.009301 TDE= -0.056869 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035330 ETOT(band)= -0.039061 trlgG= -0.048962 logG= -0.009452 TDE= -0.056993 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002420 tlogG= -0.012088 logG= -0.014509 Density= 0.053608 ETOT(band)= -0.058525 trlgG= -0.073615 logG= -0.014509 TDE= -0.085635 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.011991 logG= -0.014550 Density= 0.054162 ETOT(band)= -0.058278 trlgG= -0.073537 logG= -0.014550 TDE= -0.085789 logGD-logG0= -0.005147 tlogG= -0.023444 logG= -0.028591 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.116343 trlgG= -0.146265 logG= -0.028591 TDE= -0.171206 logGD-logG0= -0.002628 tlogG= -0.011995 logG= -0.014623 Density= 0.054007 ETOT(band)= -0.058398 trlgG= -0.073658 logG= -0.014623 TDE= -0.085760 logGD-logG0= -0.005152 tlogG= -0.023777 logG= -0.028929 Density= 0.108226 ETOT(band)= -0.116505 trlgG= -0.146800 logG= -0.028929 TDE= -0.171427 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.022471 logG= -0.027509 Density= 0.108252 ETOT(band)= -0.115700 trlgG= -0.144544 logG= -0.027509 TDE= -0.170603 logGD-logG0= -0.004319 tlogG= -0.024063 logG= -0.028382 Density= 0.106167 ETOT(band)= -0.117120 trlgG= -0.146761 logG= -0.028382 TDE= -0.170915 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023964 logG= -0.029103 logGD-logG0= -0.005280 tlogG= -0.024085 logG= -0.029364 Density= 0.107691 ETOT(band)= -0.117030 trlgG= -0.147492 logG= -0.029364 TDE= -0.171418 Density= 0.108277 ETOT(band)= -0.116580 trlgG= -0.147079 logG= -0.029103 TDE= -0.171557 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004346 tlogG= -0.023986 logG= -0.028332 Density= 0.106219 ETOT(band)= -0.117077 trlgG= -0.146648 logG= -0.028332 TDE= -0.170878 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022997 logG= -0.028102 logGD-logG0= -0.005322 tlogG= -0.024147 logG= -0.029469 Density= 0.108183 ETOT(band)= -0.116073 trlgG= -0.145491 logG= -0.028102 TDE= -0.170923 Density= 0.107859 ETOT(band)= -0.117026 trlgG= -0.147681 logG= -0.029469 TDE= -0.171587 logGD-logG0= -0.005289 tlogG= -0.024101 logG= -0.029390 Density= 0.107936 ETOT(band)= -0.116939 trlgG= -0.147556 logG= -0.029390 TDE= -0.171578 logGD-logG0= -0.004622 tlogG= -0.023217 logG= -0.027839 Density= 0.106787 ETOT(band)= -0.116579 trlgG= -0.145442 logG= -0.027839 TDE= -0.170447 logGD-logG0= -0.004955 tlogG= -0.022184 logG= -0.027139 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108407 ETOT(band)= -0.115395 trlgG= -0.143937 logG= -0.027139 TDE= -0.170443 logGD-logG0= -0.005129 tlogG= -0.023619 logG= -0.028748 logGD-logG0= -0.004998 tlogG= -0.023656 logG= -0.028653 Density= 0.107027 ETOT(band)= -0.116890 trlgG= -0.146270 logG= -0.028653 TDE= -0.170580 Density= 0.108252 ETOT(band)= -0.116390 trlgG= -0.146509 logG= -0.028748 TDE= -0.171330 logGD-logG0= -0.005287 tlogG= -0.023697 logG= -0.028983 logGD-logG0= -0.004994 tlogG= -0.024106 logG= -0.029099 Density= 0.107280 ETOT(band)= -0.116962 trlgG= -0.146821 logG= -0.028983 TDE= -0.170926 Density= 0.107428 ETOT(band)= -0.116994 trlgG= -0.147114 logG= -0.029099 TDE= -0.171175 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.022748 logG= -0.027781 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022421 logG= -0.027435 Density= 0.107685 ETOT(band)= -0.115925 trlgG= -0.144421 logG= -0.027435 TDE= -0.170274 logGD-logG0= -0.005126 tlogG= -0.023885 logG= -0.029011 Density= 0.108297 ETOT(band)= -0.115837 trlgG= -0.144980 logG= -0.027781 TDE= -0.170790 logGD-logG0= -0.004865 tlogG= -0.022863 logG= -0.027728 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107797 ETOT(band)= -0.116054 trlgG= -0.144906 logG= -0.027728 TDE= -0.170521 Density= 0.108297 ETOT(band)= -0.116516 trlgG= -0.146930 logG= -0.029011 TDE= -0.171510 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023681 logG= -0.028359 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106647 ETOT(band)= -0.116917 trlgG= -0.146355 logG= -0.028359 TDE= -0.170771 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.023701 logG= -0.028532 Density= 0.107427 ETOT(band)= -0.116683 trlgG= -0.146373 logG= -0.028532 TDE= -0.171001 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.023699 logG= -0.028407 logGD-logG0= -0.004709 tlogG= -0.023001 logG= -0.027710 Density= 0.107025 ETOT(band)= -0.116801 trlgG= -0.146462 logG= -0.028407 TDE= -0.171016 logGD-logG0= -0.005230 tlogG= -0.023980 logG= -0.029210 Density= 0.107493 ETOT(band)= -0.117015 trlgG= -0.147217 logG= -0.029210 TDE= -0.171200 Density= 0.106923 ETOT(band)= -0.116448 trlgG= -0.145180 logG= -0.027710 TDE= -0.170381 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023210 logG= -0.028512 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107732 ETOT(band)= -0.116507 trlgG= -0.146126 logG= -0.028512 TDE= -0.170925 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.010433 logG= -0.012837 Density= 0.054402 ETOT(band)= -0.057056 trlgG= -0.070687 logG= -0.012837 TDE= -0.084771 logGD-logG0= -0.005275 tlogG= -0.023884 logG= -0.029159 logGD-logG0= -0.009784 tlogG= -0.048270 logG= -0.058054 Density= 0.107964 ETOT(band)= -0.116765 trlgG= -0.147171 logG= -0.029159 TDE= -0.171438 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214499 ETOT(band)= -0.234068 trlgG= -0.294353 logG= -0.058054 TDE= -0.342445 logGD-logG0= -0.009473 tlogG= -0.045786 logG= -0.055260 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215118 ETOT(band)= -0.232229 trlgG= -0.289964 logG= -0.055260 TDE= -0.341155 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.023593 logG= -0.028906 Density= 0.107849 ETOT(band)= -0.116668 trlgG= -0.146756 logG= -0.028906 TDE= -0.171219 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009751 tlogG= -0.045616 logG= -0.055367 Density= 0.214465 ETOT(band)= -0.232577 trlgG= -0.290139 logG= -0.055367 TDE= -0.340899 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009106 tlogG= -0.047655 logG= -0.056761 Density= 0.213025 ETOT(band)= -0.233955 trlgG= -0.292845 logG= -0.056761 TDE= -0.341499 logGD-logG0= -0.005264 tlogG= -0.024072 logG= -0.029336 logGD-logG0= -0.005312 tlogG= -0.023916 logG= -0.029228 Density= 0.107800 ETOT(band)= -0.116896 trlgG= -0.147277 logG= -0.029228 TDE= -0.171394 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107995 ETOT(band)= -0.116871 trlgG= -0.147468 logG= -0.029336 TDE= -0.171573 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009423 tlogG= -0.047473 logG= -0.056896 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010506 tlogG= -0.047774 logG= -0.058280 Density= 0.214856 ETOT(band)= -0.233993 trlgG= -0.294187 logG= -0.058280 TDE= -0.342229 Density= 0.214409 ETOT(band)= -0.233492 trlgG= -0.292908 logG= -0.056896 TDE= -0.342112 logGD-logG0= -0.009535 tlogG= -0.047956 logG= -0.057491 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047180 logG= -0.056990 Density= 0.213877 ETOT(band)= -0.233703 trlgG= -0.292567 logG= -0.056990 TDE= -0.341414 logGD-logG0= -0.009929 tlogG= -0.047926 logG= -0.057855 Density= 0.213371 ETOT(band)= -0.234166 trlgG= -0.293489 logG= -0.057491 TDE= -0.341585 logGD-logG0= -0.009649 tlogG= -0.047185 logG= -0.056834 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214067 ETOT(band)= -0.234105 trlgG= -0.294040 logG= -0.057855 TDE= -0.342116 Density= 0.213866 ETOT(band)= -0.233659 trlgG= -0.292776 logG= -0.056834 TDE= -0.341773 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010462 tlogG= -0.048108 logG= -0.058570 Density= 0.215169 ETOT(band)= -0.234048 trlgG= -0.294699 logG= -0.058570 TDE= -0.342605 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.048007 logG= -0.058317 Density= 0.215171 ETOT(band)= -0.233903 trlgG= -0.294283 logG= -0.058317 TDE= -0.342444 logGD-logG0= -0.010543 tlogG= -0.048042 logG= -0.058585 Density= 0.215206 ETOT(band)= -0.234039 trlgG= -0.294726 logG= -0.058585 TDE= -0.342636 logGD-logG0= -0.010370 tlogG= -0.047814 logG= -0.058184 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 Density= 0.035861 ETOT(band)= -0.038563 trlgG= -0.047902 logG= -0.008999 TDE= -0.056649 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.047556 logG= -0.058157 logGD-logG0= -0.010053 tlogG= -0.048055 logG= -0.058109 Density= 0.214630 ETOT(band)= -0.234015 trlgG= -0.294103 logG= -0.058109 TDE= -0.342204 Density= 0.214755 ETOT(band)= -0.233987 trlgG= -0.294018 logG= -0.058184 TDE= -0.342105 Density= 0.215799 ETOT(band)= -0.233497 trlgG= -0.294073 logG= -0.058157 TDE= -0.342705 logGD-logG0= -0.010169 tlogG= -0.047686 logG= -0.057855 Density= 0.214048 ETOT(band)= -0.234091 trlgG= -0.293792 logG= -0.057855 TDE= -0.341859 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047336 logG= -0.057732 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 Density= 0.036212 ETOT(band)= -0.038115 trlgG= -0.047243 logG= -0.008621 TDE= -0.056541 Density= 0.214361 ETOT(band)= -0.233885 trlgG= -0.293269 logG= -0.057732 TDE= -0.341613 logGD-logG0= -0.010526 tlogG= -0.047969 logG= -0.058495 Density= 0.215995 ETOT(band)= -0.233614 trlgG= -0.294636 logG= -0.058495 TDE= -0.343026 logGD-logG0= -0.009857 tlogG= -0.045676 logG= -0.055533 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215250 ETOT(band)= -0.232305 trlgG= -0.289956 logG= -0.055533 TDE= -0.340939 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010565 tlogG= -0.047450 logG= -0.058015 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215566 ETOT(band)= -0.233537 trlgG= -0.293832 logG= -0.058015 TDE= -0.342490 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.046440 logG= -0.056609 Density= 0.215315 ETOT(band)= -0.232868 trlgG= -0.291589 logG= -0.056609 TDE= -0.341528 logGD-logG0= -0.010656 tlogG= -0.048174 logG= -0.058829 Density= 0.215521 ETOT(band)= -0.234066 trlgG= -0.295165 logG= -0.058829 TDE= -0.342986 logGD-logG0= -0.009778 tlogG= -0.047251 logG= -0.057029 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047918 logG= -0.058498 Density= 0.214576 ETOT(band)= -0.233454 trlgG= -0.292682 logG= -0.057029 TDE= -0.341836 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.023512 logG= -0.028246 Density= 0.215866 ETOT(band)= -0.233686 trlgG= -0.294638 logG= -0.058498 TDE= -0.342961 Density= 0.106823 ETOT(band)= -0.116770 trlgG= -0.145927 logG= -0.028246 TDE= -0.170543 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010081 tlogG= -0.047180 logG= -0.057260 logGD-logG0= -0.010608 tlogG= -0.046907 logG= -0.057515 Density= 0.215249 ETOT(band)= -0.233270 trlgG= -0.292605 logG= -0.057260 TDE= -0.341861 Density= 0.215528 ETOT(band)= -0.233260 trlgG= -0.293032 logG= -0.057515 TDE= -0.342171 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.021889 logG= -0.026879 Density= 0.108372 ETOT(band)= -0.115211 trlgG= -0.143488 logG= -0.026879 TDE= -0.170236 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004824 tlogG= -0.021003 logG= -0.025828 Density= 0.108758 ETOT(band)= -0.114258 trlgG= -0.141652 logG= -0.025828 TDE= -0.169644 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.021831 logG= -0.026901 Density= 0.107839 ETOT(band)= -0.115497 trlgG= -0.143546 logG= -0.026901 TDE= -0.170010 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005011 tlogG= -0.021708 logG= -0.026719 Density= 0.107982 ETOT(band)= -0.115305 trlgG= -0.143237 logG= -0.026719 TDE= -0.169953 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010018 tlogG= -0.043416 logG= -0.053433 Density= 0.216376 ETOT(band)= -0.230401 trlgG= -0.286453 logG= -0.053433 TDE= -0.340093 logGD-logG0= -0.001258 tlogG= -0.005751 logG= -0.007009 Density= 0.080673 ETOT(band)= -0.087370 trlgG= -0.109599 logG= -0.007009 TDE= -0.042741 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004905 tlogG= -0.021579 logG= -0.026483 Density= 0.108562 ETOT(band)= -0.114845 trlgG= -0.142809 logG= -0.026483 TDE= -0.170047 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004571 tlogG= -0.023984 logG= -0.028555 Density= 0.212908 ETOT(band)= -0.234190 trlgG= -0.293448 logG= -0.028555 TDE= -0.170808 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023849 logG= -0.028677 Density= 0.213672 ETOT(band)= -0.234070 trlgG= -0.293703 logG= -0.028677 TDE= -0.171025 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024020 logG= -0.028753 Density= 0.214218 ETOT(band)= -0.234010 trlgG= -0.294094 logG= -0.028753 TDE= -0.171207 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023207 logG= -0.028372 Density= 0.214968 ETOT(band)= -0.232881 trlgG= -0.291186 logG= -0.028372 TDE= -0.170595 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023429 logG= -0.028633 Density= 0.216296 ETOT(band)= -0.232589 trlgG= -0.292174 logG= -0.028633 TDE= -0.171166 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005472 logG= -0.006696 Density= 0.081237 ETOT(band)= -0.086330 trlgG= -0.107360 logG= -0.006696 TDE= -0.042567 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004792 tlogG= -0.022340 logG= -0.027131 Density= 0.215129 ETOT(band)= -0.231881 trlgG= -0.289057 logG= -0.027131 TDE= -0.170231 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 Density= 0.080868 ETOT(band)= -0.087621 trlgG= -0.110351 logG= -0.007219 TDE= -0.042860 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005623 logG= -0.006860 Density= 0.080875 ETOT(band)= -0.086942 trlgG= -0.108597 logG= -0.006860 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005987 logG= -0.007262 Density= 0.081097 ETOT(band)= -0.087524 trlgG= -0.110405 logG= -0.007262 TDE= -0.042890 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005859 logG= -0.007131 Density= 0.080685 ETOT(band)= -0.087585 trlgG= -0.110154 logG= -0.007131 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.024015 logG= -0.029235 Density= 0.215784 ETOT(band)= -0.233786 trlgG= -0.294792 logG= -0.029235 TDE= -0.171555 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009400 Density= 0.070900 ETOT(band)= -0.077922 trlgG= -0.097439 logG= -0.009400 TDE= -0.056954 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023813 logG= -0.029067 Density= 0.215432 ETOT(band)= -0.233691 trlgG= -0.294137 logG= -0.029067 TDE= -0.171402 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.024013 logG= -0.029198 Density= 0.216453 ETOT(band)= -0.233270 trlgG= -0.294317 logG= -0.029198 TDE= -0.171572 logGD-logG0= -0.004293 tlogG= -0.024143 logG= -0.028436 Density= 0.212271 ETOT(band)= -0.234291 trlgG= -0.293645 logG= -0.028436 TDE= -0.170954 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023496 logG= -0.028744 Density= 0.215313 ETOT(band)= -0.233256 trlgG= -0.292874 logG= -0.028744 TDE= -0.171145 logGD-logG0= -0.004767 tlogG= -0.024019 logG= -0.028786 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321712 ETOT(band)= -0.350996 trlgG= -0.441287 logG= -0.028786 TDE= -0.171202 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.024135 logG= -0.029449 Density= 0.215816 ETOT(band)= -0.233942 trlgG= -0.295207 logG= -0.029449 TDE= -0.171587 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023380 logG= -0.028059 Density= 0.321784 ETOT(band)= -0.349948 trlgG= -0.438711 logG= -0.028059 TDE= -0.170877 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.024175 logG= -0.029214 Density= 0.322588 ETOT(band)= -0.351111 trlgG= -0.441965 logG= -0.029214 TDE= -0.171208 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001581 tlogG= -0.006879 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042662 trlgG= -0.052794 logG= -0.008460 TDE= -0.056456 logGD-logG0= -0.005072 tlogG= -0.023970 logG= -0.029042 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214439 ETOT(band)= -0.234019 trlgG= -0.293876 logG= -0.029042 TDE= -0.171040 logGD-logG0= -0.004427 tlogG= -0.023751 logG= -0.028179 Density= 0.213188 ETOT(band)= -0.233505 trlgG= -0.291724 logG= -0.028179 TDE= -0.170756 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.045657 logG= -0.055826 logGD-logG0= -0.005070 tlogG= -0.023858 logG= -0.028928 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324192 ETOT(band)= -0.347843 trlgG= -0.434923 logG= -0.055826 TDE= -0.341412 Density= 0.215594 ETOT(band)= -0.233687 trlgG= -0.294241 logG= -0.028928 TDE= -0.171090 logGD-logG0= -0.010398 tlogG= -0.047814 logG= -0.058212 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324498 ETOT(band)= -0.349810 trlgG= -0.440974 logG= -0.058212 TDE= -0.342984 logGD-logG0= -0.004483 tlogG= -0.023598 logG= -0.028081 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001187 tlogG= -0.005175 logG= -0.006361 Density= 0.062569 ETOT(band)= -0.067523 trlgG= -0.084198 logG= -0.006361 TDE= -0.042354 logGD-logG0= -0.004911 tlogG= -0.023895 logG= -0.028806 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213887 ETOT(band)= -0.233931 trlgG= -0.292966 logG= -0.028806 TDE= -0.170770 Density= 0.212720 ETOT(band)= -0.233911 trlgG= -0.292698 logG= -0.028081 TDE= -0.170671 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010444 tlogG= -0.047263 logG= -0.057707 logGD-logG0= -0.005197 tlogG= -0.023776 logG= -0.028973 Density= 0.216376 ETOT(band)= -0.232968 trlgG= -0.293381 logG= -0.028973 TDE= -0.171404 Density= 0.324280 ETOT(band)= -0.349443 trlgG= -0.439626 logG= -0.057707 TDE= -0.342592 logGD-logG0= -0.005176 tlogG= -0.022982 logG= -0.028158 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216323 ETOT(band)= -0.232015 trlgG= -0.290560 logG= -0.028158 TDE= -0.170878 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022453 logG= -0.027568 logGD-logG0= -0.005177 tlogG= -0.023970 logG= -0.029148 Density= 0.216468 ETOT(band)= -0.231218 trlgG= -0.288575 logG= -0.027568 TDE= -0.170544 Density= 0.216487 ETOT(band)= -0.233167 trlgG= -0.294085 logG= -0.029148 TDE= -0.171545 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.024097 logG= -0.029341 Density= 0.323208 ETOT(band)= -0.351086 trlgG= -0.442617 logG= -0.029341 TDE= -0.171400 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005025 tlogG= -0.023258 logG= -0.028283 Density= 0.321851 ETOT(band)= -0.350454 trlgG= -0.439561 logG= -0.028283 TDE= -0.170832 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.023257 logG= -0.028034 Density= 0.213599 ETOT(band)= -0.233536 trlgG= -0.292186 logG= -0.028034 TDE= -0.170721 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005361 tlogG= -0.023912 logG= -0.029273 Density= 0.215744 ETOT(band)= -0.233688 trlgG= -0.294519 logG= -0.029273 TDE= -0.171410 logGD-logG0= -0.004963 tlogG= -0.022917 logG= -0.027881 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214898 ETOT(band)= -0.232326 trlgG= -0.289656 logG= -0.027881 TDE= -0.170409 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009674 tlogG= -0.046631 logG= -0.056305 Density= 0.322854 ETOT(band)= -0.348906 trlgG= -0.436354 logG= -0.056305 TDE= -0.341565 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023971 logG= -0.029317 logGD-logG0= -0.010441 tlogG= -0.046442 logG= -0.056884 Density= 0.324144 ETOT(band)= -0.348786 trlgG= -0.437542 logG= -0.056884 TDE= -0.342035 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323809 ETOT(band)= -0.350552 trlgG= -0.442060 logG= -0.029317 TDE= -0.171459 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.046737 logG= -0.056175 Density= 0.428095 ETOT(band)= -0.465975 trlgG= -0.581771 logG= -0.056175 TDE= -0.341173 logGD-logG0= -0.001571 tlogG= -0.007592 logG= -0.009163 Density= 0.071532 ETOT(band)= -0.077322 trlgG= -0.096143 logG= -0.009163 TDE= -0.056730 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008944 tlogG= -0.048119 logG= -0.057064 Density= 0.425733 ETOT(band)= -0.468179 trlgG= -0.586382 logG= -0.057064 TDE= -0.341732 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010133 tlogG= -0.048174 logG= -0.058307 logGD-logG0= -0.005409 tlogG= -0.023698 logG= -0.029107 Density= 0.215507 ETOT(band)= -0.233539 trlgG= -0.293821 logG= -0.029107 TDE= -0.171233 Density= 0.429497 ETOT(band)= -0.468119 trlgG= -0.588546 logG= -0.058307 TDE= -0.342267 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.048068 logG= -0.058748 Density= 0.323394 ETOT(band)= -0.350878 trlgG= -0.442314 logG= -0.058748 TDE= -0.342976 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009629 tlogG= -0.047865 logG= -0.057494 Density= 0.428233 ETOT(band)= -0.468003 trlgG= -0.587773 logG= -0.057494 TDE= -0.342220 logGD-logG0= -0.004647 tlogG= -0.023383 logG= -0.028030 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214282 ETOT(band)= -0.233297 trlgG= -0.292301 logG= -0.028030 TDE= -0.170885 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023368 logG= -0.028798 Density= 0.215206 ETOT(band)= -0.233281 trlgG= -0.292680 logG= -0.028798 TDE= -0.170939 logGD-logG0= -0.010266 tlogG= -0.048248 logG= -0.058514 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430233 ETOT(band)= -0.468126 trlgG= -0.589314 logG= -0.058514 TDE= -0.342480 logGD-logG0= -0.010242 tlogG= -0.047694 logG= -0.057936 Density= 0.428488 ETOT(band)= -0.467986 trlgG= -0.587104 logG= -0.057936 TDE= -0.341860 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010748 tlogG= -0.047720 logG= -0.058468 Density= 0.431289 ETOT(band)= -0.467325 trlgG= -0.588635 logG= -0.058468 TDE= -0.342729 logGD-logG0= -0.010301 tlogG= -0.047983 logG= -0.058284 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429400 ETOT(band)= -0.468080 trlgG= -0.588190 logG= -0.058284 TDE= -0.342105 logGD-logG0= -0.004906 tlogG= -0.021315 logG= -0.026221 Density= 0.162722 ETOT(band)= -0.172937 trlgG= -0.215897 logG= -0.026221 TDE= -0.169860 logGD-logG0= -0.010645 tlogG= -0.047756 logG= -0.058402 Density= 0.430947 ETOT(band)= -0.467381 trlgG= -0.588275 logG= -0.058402 TDE= -0.342622 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010477 tlogG= -0.048098 logG= -0.058574 Density= 0.430339 ETOT(band)= -0.467956 trlgG= -0.588987 logG= -0.058574 TDE= -0.342605 logGD-logG0= -0.009637 tlogG= -0.047675 logG= -0.057312 Density= 0.426869 ETOT(band)= -0.468210 trlgG= -0.586901 logG= -0.057312 TDE= -0.341750 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009806 tlogG= -0.047880 logG= -0.057685 Density= 0.429331 ETOT(band)= -0.467783 trlgG= -0.587750 logG= -0.057685 TDE= -0.342207 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009493 tlogG= -0.046633 logG= -0.056126 logGD-logG0= -0.009590 tlogG= -0.047794 logG= -0.057385 logGD-logG0= -0.005013 tlogG= -0.024170 logG= -0.029183 Density= 0.214840 ETOT(band)= -0.234093 trlgG= -0.294493 logG= -0.029183 TDE= -0.171213 Density= 0.428296 ETOT(band)= -0.466699 trlgG= -0.584380 logG= -0.056126 TDE= -0.341589 Density= 0.427375 ETOT(band)= -0.467762 trlgG= -0.585755 logG= -0.057385 TDE= -0.341452 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001205 tlogG= -0.005311 logG= -0.006515 Density= 0.081595 ETOT(band)= -0.085664 trlgG= -0.106202 logG= -0.006515 TDE= -0.042456 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009985 tlogG= -0.047585 logG= -0.057570 Density= 0.428805 ETOT(band)= -0.467332 trlgG= -0.586146 logG= -0.057570 TDE= -0.341905 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.048045 logG= -0.058718 Density= 0.431528 ETOT(band)= -0.467609 trlgG= -0.589629 logG= -0.058718 TDE= -0.342994 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010305 tlogG= -0.046957 logG= -0.057262 Density= 0.430078 ETOT(band)= -0.466328 trlgG= -0.584149 logG= -0.057262 TDE= -0.341573 logGD-logG0= -0.009922 tlogG= -0.046426 logG= -0.056348 logGD-logG0= -0.004832 tlogG= -0.022340 logG= -0.027172 Density= 0.323022 ETOT(band)= -0.347875 trlgG= -0.433965 logG= -0.027172 TDE= -0.170226 Density= 0.429731 ETOT(band)= -0.465411 trlgG= -0.581452 logG= -0.056348 TDE= -0.341285 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010230 tlogG= -0.047597 logG= -0.057826 Density= 0.430206 ETOT(band)= -0.466976 trlgG= -0.586079 logG= -0.057826 TDE= -0.342018 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010704 tlogG= -0.047295 logG= -0.058000 Density= 0.430678 ETOT(band)= -0.466956 trlgG= -0.586803 logG= -0.058000 TDE= -0.342238 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004597 tlogG= -0.023902 logG= -0.028499 Density= 0.213382 ETOT(band)= -0.233782 trlgG= -0.292456 logG= -0.028499 TDE= -0.170760 logGD-logG0= -0.009962 tlogG= -0.044649 logG= -0.054611 Density= 0.324435 ETOT(band)= -0.346574 trlgG= -0.431914 logG= -0.054611 TDE= -0.340734 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022485 logG= -0.027398 Density= 0.215125 ETOT(band)= -0.231591 trlgG= -0.288012 logG= -0.027398 TDE= -0.170157 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007121 logG= -0.008814 Density= 0.072263 ETOT(band)= -0.076458 trlgG= -0.094833 logG= -0.008814 TDE= -0.056616 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004944 tlogG= -0.022305 logG= -0.027249 Density= 0.214363 ETOT(band)= -0.232365 trlgG= -0.289406 logG= -0.027249 TDE= -0.170144 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004988 tlogG= -0.021365 logG= -0.026353 Density= 0.217119 ETOT(band)= -0.229114 trlgG= -0.284256 logG= -0.026353 TDE= -0.169873 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004947 tlogG= -0.021220 logG= -0.026167 Density= 0.216446 ETOT(band)= -0.229972 trlgG= -0.285510 logG= -0.026167 TDE= -0.169779 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009810 tlogG= -0.044651 logG= -0.054460 Density= 0.431808 ETOT(band)= -0.461945 trlgG= -0.574677 logG= -0.054460 TDE= -0.340370 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.021894 logG= -0.026970 Density= 0.216725 ETOT(band)= -0.230221 trlgG= -0.286459 logG= -0.026970 TDE= -0.170205 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.718500953684 eV TrLogG= -407.290959557602 eV Ratio to renormalize= 0.999570626175 rho-rho_expected= 0.009450281855 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964582158899353 0.940259753652959 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001486 tlogG= -0.007814 logG= -0.009300 Density= 0.035509 ETOT(band)= -0.038909 trlgG= -0.048597 logG= -0.009300 TDE= -0.056868 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004731 trlgG= -0.005851 logG= -0.001049 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002325 tlogG= -0.011889 logG= -0.014214 Density= 0.053585 ETOT(band)= -0.058379 trlgG= -0.073250 logG= -0.014214 TDE= -0.085553 logGD-logG0= -0.004622 tlogG= -0.023215 logG= -0.027838 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106786 ETOT(band)= -0.116575 trlgG= -0.145437 logG= -0.027838 TDE= -0.170442 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002420 tlogG= -0.012087 logG= -0.014508 Density= 0.053608 ETOT(band)= -0.058523 trlgG= -0.073613 logG= -0.014508 TDE= -0.085632 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012038 logG= -0.014641 Density= 0.053786 ETOT(band)= -0.058512 trlgG= -0.073670 logG= -0.014641 TDE= -0.085645 logGD-logG0= -0.004709 tlogG= -0.023000 logG= -0.027709 Density= 0.106922 ETOT(band)= -0.116444 trlgG= -0.145174 logG= -0.027709 TDE= -0.170376 logGD-logG0= -0.002333 tlogG= -0.011453 logG= -0.013786 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053761 ETOT(band)= -0.058049 trlgG= -0.072487 logG= -0.013786 TDE= -0.085304 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 Density= 0.035329 ETOT(band)= -0.039060 trlgG= -0.048960 logG= -0.009452 TDE= -0.056991 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.011990 logG= -0.014550 Density= 0.054161 ETOT(band)= -0.058276 trlgG= -0.073535 logG= -0.014550 TDE= -0.085786 logGD-logG0= -0.005148 tlogG= -0.023442 logG= -0.028590 Density= 0.108178 ETOT(band)= -0.116339 trlgG= -0.146259 logG= -0.028590 TDE= -0.171201 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023775 logG= -0.028928 logGD-logG0= -0.005280 tlogG= -0.024083 logG= -0.029363 logGD-logG0= -0.005014 tlogG= -0.022419 logG= -0.027433 Density= 0.107683 ETOT(band)= -0.115921 trlgG= -0.144415 logG= -0.027433 TDE= -0.170269 logGD-logG0= -0.004320 tlogG= -0.024061 logG= -0.028381 Density= 0.106166 ETOT(band)= -0.117116 trlgG= -0.146755 logG= -0.028381 TDE= -0.170911 Density= 0.108225 ETOT(band)= -0.116501 trlgG= -0.146795 logG= -0.028928 TDE= -0.171422 Density= 0.107690 ETOT(band)= -0.117026 trlgG= -0.147486 logG= -0.029363 TDE= -0.171413 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023962 logG= -0.029101 logGD-logG0= -0.005038 tlogG= -0.022469 logG= -0.027508 Density= 0.108275 ETOT(band)= -0.116576 trlgG= -0.147073 logG= -0.029101 TDE= -0.171552 Density= 0.108250 ETOT(band)= -0.115697 trlgG= -0.144538 logG= -0.027508 TDE= -0.170599 logGD-logG0= -0.004956 tlogG= -0.022182 logG= -0.027138 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.023984 logG= -0.028331 Density= 0.106218 ETOT(band)= -0.117073 trlgG= -0.146642 logG= -0.028331 TDE= -0.170873 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.022861 logG= -0.027727 Density= 0.108406 ETOT(band)= -0.115391 trlgG= -0.143931 logG= -0.027138 TDE= -0.170438 logGD-logG0= -0.002629 tlogG= -0.011993 logG= -0.014622 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.024056 logG= -0.028599 Density= 0.107796 ETOT(band)= -0.116051 trlgG= -0.144900 logG= -0.027727 TDE= -0.170516 logGD-logG0= -0.005106 tlogG= -0.022995 logG= -0.028101 Density= 0.054006 ETOT(band)= -0.058396 trlgG= -0.073655 logG= -0.014622 TDE= -0.085758 Density= 0.108182 ETOT(band)= -0.116069 trlgG= -0.145485 logG= -0.028101 TDE= -0.170919 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106436 ETOT(band)= -0.117106 trlgG= -0.146766 logG= -0.028599 TDE= -0.170836 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.024145 logG= -0.029467 logGD-logG0= -0.005313 tlogG= -0.023914 logG= -0.029227 Density= 0.107799 ETOT(band)= -0.116893 trlgG= -0.147271 logG= -0.029227 TDE= -0.171389 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107858 ETOT(band)= -0.117023 trlgG= -0.147676 logG= -0.029467 TDE= -0.171582 logGD-logG0= -0.005290 tlogG= -0.024098 logG= -0.029389 logGD-logG0= -0.005230 tlogG= -0.023978 logG= -0.029208 Density= 0.107491 ETOT(band)= -0.117011 trlgG= -0.147212 logG= -0.029208 TDE= -0.171195 logGD-logG0= -0.004998 tlogG= -0.023654 logG= -0.028652 Density= 0.107026 ETOT(band)= -0.116886 trlgG= -0.146265 logG= -0.028652 TDE= -0.170575 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107935 ETOT(band)= -0.116935 trlgG= -0.147551 logG= -0.029389 TDE= -0.171573 logGD-logG0= -0.005099 tlogG= -0.023228 logG= -0.028327 Density= 0.108241 ETOT(band)= -0.116163 trlgG= -0.145841 logG= -0.028327 TDE= -0.171078 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023695 logG= -0.028982 Density= 0.107279 ETOT(band)= -0.116958 trlgG= -0.146816 logG= -0.028982 TDE= -0.170921 logGD-logG0= -0.004994 tlogG= -0.024104 logG= -0.029098 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023883 logG= -0.029010 Density= 0.108296 ETOT(band)= -0.116512 trlgG= -0.146925 logG= -0.029010 TDE= -0.171505 logGD-logG0= -0.004679 tlogG= -0.023679 logG= -0.028358 Density= 0.106646 ETOT(band)= -0.116913 trlgG= -0.146350 logG= -0.028358 TDE= -0.170766 Density= 0.107426 ETOT(band)= -0.116990 trlgG= -0.147109 logG= -0.029098 TDE= -0.171170 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.023699 logG= -0.028530 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107426 ETOT(band)= -0.116680 trlgG= -0.146367 logG= -0.028530 TDE= -0.170996 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.022887 logG= -0.027999 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.022746 logG= -0.027780 Density= 0.108295 ETOT(band)= -0.115833 trlgG= -0.144975 logG= -0.027780 TDE= -0.170785 logGD-logG0= -0.004734 tlogG= -0.023510 logG= -0.028245 Density= 0.106822 ETOT(band)= -0.116767 trlgG= -0.145922 logG= -0.028245 TDE= -0.170538 Density= 0.107664 ETOT(band)= -0.116255 trlgG= -0.145311 logG= -0.027999 TDE= -0.170590 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023617 logG= -0.028746 Density= 0.108250 ETOT(band)= -0.116386 trlgG= -0.146504 logG= -0.028746 TDE= -0.171325 logGD-logG0= -0.004881 tlogG= -0.024080 logG= -0.028961 Density= 0.107104 ETOT(band)= -0.117051 trlgG= -0.147133 logG= -0.028961 TDE= -0.171173 logGD-logG0= -0.004709 tlogG= -0.023697 logG= -0.028406 Density= 0.107023 ETOT(band)= -0.116797 trlgG= -0.146456 logG= -0.028406 TDE= -0.171011 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023208 logG= -0.028511 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023882 logG= -0.029158 Density= 0.107731 ETOT(band)= -0.116503 trlgG= -0.146121 logG= -0.028511 TDE= -0.170920 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107963 ETOT(band)= -0.116761 trlgG= -0.147166 logG= -0.029158 TDE= -0.171433 logGD-logG0= -0.004902 tlogG= -0.023904 logG= -0.028807 logGD-logG0= -0.004742 tlogG= -0.022863 logG= -0.027605 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106805 ETOT(band)= -0.117068 trlgG= -0.146878 logG= -0.028807 TDE= -0.170923 logGD-logG0= -0.002404 tlogG= -0.010432 logG= -0.012836 Density= 0.054402 ETOT(band)= -0.057054 trlgG= -0.070684 logG= -0.012836 TDE= -0.084768 logGD-logG0= -0.009785 tlogG= -0.048266 logG= -0.058051 logGD-logG0= -0.005314 tlogG= -0.023591 logG= -0.028905 Density= 0.214496 ETOT(band)= -0.234061 trlgG= -0.294343 logG= -0.058051 TDE= -0.342435 Density= 0.107847 ETOT(band)= -0.116665 trlgG= -0.146750 logG= -0.028905 TDE= -0.171214 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107346 ETOT(band)= -0.116193 trlgG= -0.145025 logG= -0.027605 TDE= -0.170540 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009752 tlogG= -0.045612 logG= -0.055365 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214462 ETOT(band)= -0.232569 trlgG= -0.290128 logG= -0.055365 TDE= -0.340890 logGD-logG0= -0.009650 tlogG= -0.047181 logG= -0.056832 logGD-logG0= -0.009474 tlogG= -0.045783 logG= -0.055257 Density= 0.215116 ETOT(band)= -0.232222 trlgG= -0.289953 logG= -0.055257 TDE= -0.341146 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213864 ETOT(band)= -0.233652 trlgG= -0.292764 logG= -0.056832 TDE= -0.341763 logGD-logG0= -0.009106 tlogG= -0.047652 logG= -0.056759 Density= 0.213023 ETOT(band)= -0.233947 trlgG= -0.292834 logG= -0.056759 TDE= -0.341490 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.024070 logG= -0.029335 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107994 ETOT(band)= -0.116868 trlgG= -0.147462 logG= -0.029335 TDE= -0.171568 logGD-logG0= -0.009930 tlogG= -0.047923 logG= -0.057852 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214065 ETOT(band)= -0.234097 trlgG= -0.294029 logG= -0.057852 TDE= -0.342107 logGD-logG0= -0.009535 tlogG= -0.047953 logG= -0.057488 Density= 0.213369 ETOT(band)= -0.234158 trlgG= -0.293478 logG= -0.057488 TDE= -0.341575 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010507 tlogG= -0.047770 logG= -0.058277 logGD-logG0= -0.009424 tlogG= -0.047470 logG= -0.056894 Density= 0.214407 ETOT(band)= -0.233485 trlgG= -0.292897 logG= -0.056894 TDE= -0.342103 logGD-logG0= -0.009810 tlogG= -0.047177 logG= -0.056987 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213875 ETOT(band)= -0.233696 trlgG= -0.292556 logG= -0.056987 TDE= -0.341405 Density= 0.214853 ETOT(band)= -0.233986 trlgG= -0.294176 logG= -0.058277 TDE= -0.342219 logGD-logG0= -0.010310 tlogG= -0.048004 logG= -0.058314 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215169 ETOT(band)= -0.233896 trlgG= -0.294272 logG= -0.058314 TDE= -0.342434 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 logGD-logG0= -0.004905 tlogG= -0.021577 logG= -0.026482 Density= 0.108561 ETOT(band)= -0.114841 trlgG= -0.142803 logG= -0.026482 TDE= -0.170043 logGD-logG0= -0.010371 tlogG= -0.047810 logG= -0.058181 Density= 0.214752 ETOT(band)= -0.233979 trlgG= -0.294006 logG= -0.058181 TDE= -0.342096 logGD-logG0= -0.010054 tlogG= -0.048052 logG= -0.058106 Density= 0.214627 ETOT(band)= -0.234008 trlgG= -0.294092 logG= -0.058106 TDE= -0.342194 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.036212 ETOT(band)= -0.038114 trlgG= -0.047241 logG= -0.008621 TDE= -0.056540 logGD-logG0= -0.009858 tlogG= -0.045673 logG= -0.055531 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010543 tlogG= -0.048039 logG= -0.058582 Density= 0.215203 ETOT(band)= -0.234032 trlgG= -0.294715 logG= -0.058582 TDE= -0.342626 logGD-logG0= -0.010462 tlogG= -0.048105 logG= -0.058567 Density= 0.215248 ETOT(band)= -0.232298 trlgG= -0.289945 logG= -0.055531 TDE= -0.340929 Density= 0.215167 ETOT(band)= -0.234040 trlgG= -0.294688 logG= -0.058567 TDE= -0.342596 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 Density= 0.035860 ETOT(band)= -0.038562 trlgG= -0.047900 logG= -0.008999 TDE= -0.056647 logGD-logG0= -0.010602 tlogG= -0.047552 logG= -0.058154 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.047683 logG= -0.057852 Density= 0.215796 ETOT(band)= -0.233490 trlgG= -0.294062 logG= -0.058154 TDE= -0.342695 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214046 ETOT(band)= -0.234084 trlgG= -0.293781 logG= -0.057852 TDE= -0.341849 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010566 tlogG= -0.047447 logG= -0.058013 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215563 ETOT(band)= -0.233529 trlgG= -0.293821 logG= -0.058013 TDE= -0.342480 logGD-logG0= -0.010397 tlogG= -0.047333 logG= -0.057729 logGD-logG0= -0.010170 tlogG= -0.046436 logG= -0.056607 Density= 0.215312 ETOT(band)= -0.232861 trlgG= -0.291578 logG= -0.056607 TDE= -0.341518 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214359 ETOT(band)= -0.233878 trlgG= -0.293257 logG= -0.057729 TDE= -0.341604 logGD-logG0= -0.010656 tlogG= -0.048170 logG= -0.058827 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215519 ETOT(band)= -0.234059 trlgG= -0.295153 logG= -0.058827 TDE= -0.342976 logGD-logG0= -0.010528 tlogG= -0.047965 logG= -0.058493 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215992 ETOT(band)= -0.233607 trlgG= -0.294625 logG= -0.058493 TDE= -0.343016 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.047913 logG= -0.058496 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215863 ETOT(band)= -0.233679 trlgG= -0.294627 logG= -0.058496 TDE= -0.342951 logGD-logG0= -0.002464 tlogG= -0.010847 logG= -0.013311 Density= 0.054087 ETOT(band)= -0.057570 trlgG= -0.071529 logG= -0.013311 TDE= -0.084984 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009779 tlogG= -0.047247 logG= -0.057026 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214573 ETOT(band)= -0.233446 trlgG= -0.292671 logG= -0.057026 TDE= -0.341826 logGD-logG0= -0.010609 tlogG= -0.046904 logG= -0.057513 Density= 0.215526 ETOT(band)= -0.233252 trlgG= -0.293021 logG= -0.057513 TDE= -0.342161 logGD-logG0= -0.010082 tlogG= -0.047176 logG= -0.057258 Density= 0.215247 ETOT(band)= -0.233262 trlgG= -0.292594 logG= -0.057258 TDE= -0.341852 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.021829 logG= -0.026900 Density= 0.107838 ETOT(band)= -0.115493 trlgG= -0.143541 logG= -0.026900 TDE= -0.170005 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004991 tlogG= -0.021887 logG= -0.026878 Density= 0.108370 ETOT(band)= -0.115207 trlgG= -0.143482 logG= -0.026878 TDE= -0.170231 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010019 tlogG= -0.043412 logG= -0.053431 Density= 0.216374 ETOT(band)= -0.230394 trlgG= -0.286442 logG= -0.053431 TDE= -0.340084 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005012 tlogG= -0.021706 logG= -0.026718 Density= 0.107981 ETOT(band)= -0.115301 trlgG= -0.143232 logG= -0.026718 TDE= -0.169949 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004825 tlogG= -0.021002 logG= -0.025827 Density= 0.108757 ETOT(band)= -0.114254 trlgG= -0.141647 logG= -0.025827 TDE= -0.169639 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009400 Density= 0.070900 ETOT(band)= -0.077920 trlgG= -0.097435 logG= -0.009400 TDE= -0.056953 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005751 logG= -0.007009 Density= 0.080672 ETOT(band)= -0.087367 trlgG= -0.109595 logG= -0.007009 TDE= -0.042740 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004427 tlogG= -0.023750 logG= -0.028177 Density= 0.213187 ETOT(band)= -0.233498 trlgG= -0.291713 logG= -0.028177 TDE= -0.170752 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 Density= 0.080867 ETOT(band)= -0.087618 trlgG= -0.110347 logG= -0.007219 TDE= -0.042859 logGD-logG0= -0.001237 tlogG= -0.005622 logG= -0.006859 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080874 ETOT(band)= -0.086939 trlgG= -0.108593 logG= -0.006859 TDE= -0.042663 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005859 logG= -0.007131 Density= 0.080684 ETOT(band)= -0.087582 trlgG= -0.110150 logG= -0.007131 TDE= -0.042805 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005987 logG= -0.007262 Density= 0.081096 ETOT(band)= -0.087522 trlgG= -0.110401 logG= -0.007262 TDE= -0.042889 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.024013 logG= -0.029234 Density= 0.215781 ETOT(band)= -0.233779 trlgG= -0.294781 logG= -0.029234 TDE= -0.171550 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.022916 logG= -0.027879 Density= 0.214896 ETOT(band)= -0.232319 trlgG= -0.289645 logG= -0.027879 TDE= -0.170404 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024011 logG= -0.029196 Density= 0.216450 ETOT(band)= -0.233263 trlgG= -0.294307 logG= -0.029196 TDE= -0.171567 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.023811 logG= -0.029066 Density= 0.215429 ETOT(band)= -0.233683 trlgG= -0.294126 logG= -0.029066 TDE= -0.171397 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004293 tlogG= -0.024141 logG= -0.028435 Density= 0.212269 ETOT(band)= -0.234283 trlgG= -0.293634 logG= -0.028435 TDE= -0.170949 logGD-logG0= -0.005248 tlogG= -0.023495 logG= -0.028743 Density= 0.215311 ETOT(band)= -0.233248 trlgG= -0.292863 logG= -0.028743 TDE= -0.171140 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.024017 logG= -0.028784 Density= 0.321709 ETOT(band)= -0.350984 trlgG= -0.441270 logG= -0.028784 TDE= -0.171198 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.023968 logG= -0.029040 logGD-logG0= -0.005116 tlogG= -0.022451 logG= -0.027567 Density= 0.216466 ETOT(band)= -0.231211 trlgG= -0.288565 logG= -0.027567 TDE= -0.170540 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214436 ETOT(band)= -0.234012 trlgG= -0.293865 logG= -0.029040 TDE= -0.171035 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.047809 logG= -0.058209 logGD-logG0= -0.005314 tlogG= -0.024133 logG= -0.029447 Density= 0.324493 ETOT(band)= -0.349800 trlgG= -0.440958 logG= -0.058209 TDE= -0.342974 Density= 0.215814 ETOT(band)= -0.233935 trlgG= -0.295196 logG= -0.029447 TDE= -0.171582 logGD-logG0= -0.005205 tlogG= -0.023427 logG= -0.028631 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216293 ETOT(band)= -0.232582 trlgG= -0.292164 logG= -0.028631 TDE= -0.171161 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001582 tlogG= -0.006878 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042661 trlgG= -0.052792 logG= -0.008460 TDE= -0.056454 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004680 tlogG= -0.023379 logG= -0.028058 Density= 0.321780 ETOT(band)= -0.349937 trlgG= -0.438694 logG= -0.028058 TDE= -0.170873 logGD-logG0= -0.001187 tlogG= -0.005174 logG= -0.006361 Density= 0.062569 ETOT(band)= -0.067521 trlgG= -0.084195 logG= -0.006361 TDE= -0.042353 logGD-logG0= -0.010446 tlogG= -0.047259 logG= -0.057704 Density= 0.324276 ETOT(band)= -0.349432 trlgG= -0.439610 logG= -0.057704 TDE= -0.342583 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.023596 logG= -0.028080 Density= 0.212718 ETOT(band)= -0.233904 trlgG= -0.292687 logG= -0.028080 TDE= -0.170667 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.023983 logG= -0.028554 Density= 0.212906 ETOT(band)= -0.234183 trlgG= -0.293437 logG= -0.028554 TDE= -0.170804 logGD-logG0= -0.005013 tlogG= -0.024168 logG= -0.029181 logGD-logG0= -0.004911 tlogG= -0.023894 logG= -0.028804 Density= 0.213885 ETOT(band)= -0.233924 trlgG= -0.292955 logG= -0.028804 TDE= -0.170765 Density= 0.214837 ETOT(band)= -0.234086 trlgG= -0.294482 logG= -0.029181 TDE= -0.171209 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.048064 logG= -0.058746 logGD-logG0= -0.005177 tlogG= -0.022980 logG= -0.028157 Density= 0.323390 ETOT(band)= -0.350867 trlgG= -0.442298 logG= -0.058746 TDE= -0.342966 logGD-logG0= -0.004778 tlogG= -0.023255 logG= -0.028033 Density= 0.213597 ETOT(band)= -0.233528 trlgG= -0.292175 logG= -0.028033 TDE= -0.170717 Density= 0.216321 ETOT(band)= -0.232008 trlgG= -0.290549 logG= -0.028157 TDE= -0.170874 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.024096 logG= -0.029340 Density= 0.323204 ETOT(band)= -0.351075 trlgG= -0.442600 logG= -0.029340 TDE= -0.171395 logGD-logG0= -0.005039 tlogG= -0.024174 logG= -0.029213 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322584 ETOT(band)= -0.351100 trlgG= -0.441948 logG= -0.029213 TDE= -0.171204 logGD-logG0= -0.001205 tlogG= -0.005310 logG= -0.006515 Density= 0.081594 ETOT(band)= -0.085661 trlgG= -0.106198 logG= -0.006515 TDE= -0.042455 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004597 tlogG= -0.023900 logG= -0.028497 Density= 0.213380 ETOT(band)= -0.233774 trlgG= -0.292445 logG= -0.028497 TDE= -0.170756 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.023857 logG= -0.028927 logGD-logG0= -0.010170 tlogG= -0.045654 logG= -0.055824 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009675 tlogG= -0.046628 logG= -0.056303 Density= 0.322851 ETOT(band)= -0.348895 trlgG= -0.436338 logG= -0.056303 TDE= -0.341555 Density= 0.324189 ETOT(band)= -0.347832 trlgG= -0.434907 logG= -0.055824 TDE= -0.341402 Density= 0.215591 ETOT(band)= -0.233680 trlgG= -0.294230 logG= -0.028927 TDE= -0.171085 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023968 logG= -0.029146 Density= 0.216484 ETOT(band)= -0.233160 trlgG= -0.294075 logG= -0.029146 TDE= -0.171540 logGD-logG0= -0.004734 tlogG= -0.024018 logG= -0.028752 Density= 0.214216 ETOT(band)= -0.234002 trlgG= -0.294083 logG= -0.028752 TDE= -0.171202 logGD-logG0= -0.005362 tlogG= -0.023909 logG= -0.029271 Density= 0.215742 ETOT(band)= -0.233681 trlgG= -0.294508 logG= -0.029271 TDE= -0.171405 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023256 logG= -0.028282 Density= 0.321847 ETOT(band)= -0.350443 trlgG= -0.439544 logG= -0.028282 TDE= -0.170827 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010443 tlogG= -0.046438 logG= -0.056881 Density= 0.324140 ETOT(band)= -0.348775 trlgG= -0.437525 logG= -0.056881 TDE= -0.342026 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023206 logG= -0.028371 Density= 0.214966 ETOT(band)= -0.232873 trlgG= -0.291174 logG= -0.028371 TDE= -0.170590 logGD-logG0= -0.005410 tlogG= -0.023695 logG= -0.029105 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215504 ETOT(band)= -0.233532 trlgG= -0.293810 logG= -0.029105 TDE= -0.171228 logGD-logG0= -0.004945 tlogG= -0.022303 logG= -0.027248 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214361 ETOT(band)= -0.232357 trlgG= -0.289395 logG= -0.027248 TDE= -0.170139 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009438 tlogG= -0.046734 logG= -0.056172 Density= 0.428091 ETOT(band)= -0.465960 trlgG= -0.581749 logG= -0.056172 TDE= -0.341163 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023367 logG= -0.028797 logGD-logG0= -0.004647 tlogG= -0.023382 logG= -0.028029 logGD-logG0= -0.008945 tlogG= -0.048116 logG= -0.057061 Density= 0.214280 ETOT(band)= -0.233290 trlgG= -0.292290 logG= -0.028029 TDE= -0.170881 Density= 0.425730 ETOT(band)= -0.468163 trlgG= -0.586360 logG= -0.057061 TDE= -0.341723 logGD-logG0= -0.001571 tlogG= -0.007592 logG= -0.009163 Density= 0.071531 ETOT(band)= -0.077320 trlgG= -0.096140 logG= -0.009163 TDE= -0.056728 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215204 ETOT(band)= -0.233274 trlgG= -0.292669 logG= -0.028797 TDE= -0.170934 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009630 tlogG= -0.047861 logG= -0.057491 Density= 0.428229 ETOT(band)= -0.467988 trlgG= -0.587751 logG= -0.057491 TDE= -0.342210 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010134 tlogG= -0.048171 logG= -0.058304 Density= 0.429492 ETOT(band)= -0.468104 trlgG= -0.588523 logG= -0.058304 TDE= -0.342257 logGD-logG0= -0.009494 tlogG= -0.046629 logG= -0.056123 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428291 ETOT(band)= -0.466684 trlgG= -0.584358 logG= -0.056123 TDE= -0.341580 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010302 tlogG= -0.047979 logG= -0.058282 logGD-logG0= -0.010477 tlogG= -0.048094 logG= -0.058572 Density= 0.430334 ETOT(band)= -0.467942 trlgG= -0.588964 logG= -0.058572 TDE= -0.342595 logGD-logG0= -0.004906 tlogG= -0.021314 logG= -0.026220 Density= 0.162720 ETOT(band)= -0.172932 trlgG= -0.215889 logG= -0.026220 TDE= -0.169855 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429396 ETOT(band)= -0.468065 trlgG= -0.588167 logG= -0.058282 TDE= -0.342095 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023969 logG= -0.029316 logGD-logG0= -0.004914 tlogG= -0.022484 logG= -0.027397 Density= 0.215123 ETOT(band)= -0.231583 trlgG= -0.288001 logG= -0.027397 TDE= -0.170153 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323804 ETOT(band)= -0.350541 trlgG= -0.442043 logG= -0.029316 TDE= -0.171454 logGD-logG0= -0.009637 tlogG= -0.047673 logG= -0.057309 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426865 ETOT(band)= -0.468195 trlgG= -0.586879 logG= -0.057309 TDE= -0.341741 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010267 tlogG= -0.048245 logG= -0.058512 logGD-logG0= -0.010646 tlogG= -0.047753 logG= -0.058399 Density= 0.430942 ETOT(band)= -0.467367 trlgG= -0.588253 logG= -0.058399 TDE= -0.342612 logGD-logG0= -0.010750 tlogG= -0.047716 logG= -0.058466 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431283 ETOT(band)= -0.467311 trlgG= -0.588613 logG= -0.058466 TDE= -0.342719 Density= 0.430227 ETOT(band)= -0.468111 trlgG= -0.589292 logG= -0.058512 TDE= -0.342470 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.047691 logG= -0.057934 Density= 0.428484 ETOT(band)= -0.467971 trlgG= -0.587082 logG= -0.057934 TDE= -0.341851 logGD-logG0= -0.005198 tlogG= -0.023774 logG= -0.028972 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216373 ETOT(band)= -0.232961 trlgG= -0.293370 logG= -0.028972 TDE= -0.171399 logGD-logG0= -0.009806 tlogG= -0.047876 logG= -0.057683 Density= 0.429327 ETOT(band)= -0.467768 trlgG= -0.587729 logG= -0.057683 TDE= -0.342198 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047792 logG= -0.057382 Density= 0.427370 ETOT(band)= -0.467746 trlgG= -0.585733 logG= -0.057382 TDE= -0.341443 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.046423 logG= -0.056345 logGD-logG0= -0.010306 tlogG= -0.046954 logG= -0.057260 Density= 0.430073 ETOT(band)= -0.466313 trlgG= -0.584127 logG= -0.057260 TDE= -0.341564 Density= 0.429727 ETOT(band)= -0.465396 trlgG= -0.581431 logG= -0.056345 TDE= -0.341276 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010675 tlogG= -0.048041 logG= -0.058716 logGD-logG0= -0.004829 tlogG= -0.023847 logG= -0.028676 Density= 0.431523 ETOT(band)= -0.467595 trlgG= -0.589607 logG= -0.058716 TDE= -0.342984 Density= 0.213669 ETOT(band)= -0.234062 trlgG= -0.293692 logG= -0.028676 TDE= -0.171021 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009986 tlogG= -0.047581 logG= -0.057568 Density= 0.428800 ETOT(band)= -0.467317 trlgG= -0.586125 logG= -0.057568 TDE= -0.341896 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047593 logG= -0.057824 Density= 0.430201 ETOT(band)= -0.466961 trlgG= -0.586057 logG= -0.057824 TDE= -0.342009 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.021892 logG= -0.026969 Density= 0.216722 ETOT(band)= -0.230214 trlgG= -0.286449 logG= -0.026969 TDE= -0.170200 logGD-logG0= -0.010705 tlogG= -0.047292 logG= -0.057997 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430673 ETOT(band)= -0.466941 trlgG= -0.586781 logG= -0.057997 TDE= -0.342228 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.022339 logG= -0.027171 Density= 0.323019 ETOT(band)= -0.347864 trlgG= -0.433949 logG= -0.027171 TDE= -0.170221 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001224 tlogG= -0.005471 logG= -0.006695 Density= 0.081236 ETOT(band)= -0.086327 trlgG= -0.107356 logG= -0.006695 TDE= -0.042566 logGD-logG0= -0.009963 tlogG= -0.044645 logG= -0.054609 Density= 0.324431 ETOT(band)= -0.346563 trlgG= -0.431898 logG= -0.054609 TDE= -0.340725 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001693 tlogG= -0.007121 logG= -0.008813 Density= 0.072262 ETOT(band)= -0.076455 trlgG= -0.094829 logG= -0.008813 TDE= -0.056614 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004792 tlogG= -0.022338 logG= -0.027130 Density= 0.215127 ETOT(band)= -0.231873 trlgG= -0.289046 logG= -0.027130 TDE= -0.170226 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009811 tlogG= -0.044647 logG= -0.054458 Density= 0.431803 ETOT(band)= -0.461930 trlgG= -0.574656 logG= -0.054458 TDE= -0.340361 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004948 tlogG= -0.021218 logG= -0.026166 Density= 0.216444 ETOT(band)= -0.229965 trlgG= -0.285500 logG= -0.026166 TDE= -0.169775 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004989 tlogG= -0.021363 logG= -0.026352 Density= 0.217116 ETOT(band)= -0.229107 trlgG= -0.284246 logG= -0.026352 TDE= -0.169868 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.708207541025 eV TrLogG= -407.274034305392 eV Ratio to renormalize= 0.999581816045 rho-rho_expected= 0.009203895941 nargs= 1 argi=dmft2.def 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964606943868346 0.940293595720013 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 logGD-logG0= -0.002603 tlogG= -0.012039 logG= -0.014641 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053787 ETOT(band)= -0.058514 trlgG= -0.073673 logG= -0.014641 TDE= -0.085648 logGD-logG0= -0.002420 tlogG= -0.012088 logG= -0.014509 Density= 0.053608 ETOT(band)= -0.058525 trlgG= -0.073615 logG= -0.014509 TDE= -0.085635 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002325 tlogG= -0.011890 logG= -0.014215 Density= 0.053586 ETOT(band)= -0.058381 trlgG= -0.073253 logG= -0.014215 TDE= -0.085555 logGD-logG0= -0.002333 tlogG= -0.011454 logG= -0.013787 Density= 0.053761 ETOT(band)= -0.058051 trlgG= -0.072489 logG= -0.013787 TDE= -0.085306 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001486 tlogG= -0.007815 logG= -0.009301 Density= 0.035509 ETOT(band)= -0.038910 trlgG= -0.048598 logG= -0.009301 TDE= -0.056869 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 Density= 0.035329 ETOT(band)= -0.039061 trlgG= -0.048962 logG= -0.009452 TDE= -0.056993 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.023777 logG= -0.028929 logGD-logG0= -0.002560 tlogG= -0.011991 logG= -0.014550 Density= 0.108226 ETOT(band)= -0.116505 trlgG= -0.146800 logG= -0.028929 TDE= -0.171427 Density= 0.054162 ETOT(band)= -0.058278 trlgG= -0.073537 logG= -0.014550 TDE= -0.085789 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023964 logG= -0.029103 Density= 0.108277 ETOT(band)= -0.116580 trlgG= -0.147079 logG= -0.029103 TDE= -0.171557 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004319 tlogG= -0.024063 logG= -0.028382 logGD-logG0= -0.005105 tlogG= -0.022997 logG= -0.028102 logGD-logG0= -0.004543 tlogG= -0.024058 logG= -0.028601 Density= 0.106437 ETOT(band)= -0.117110 trlgG= -0.146771 logG= -0.028601 TDE= -0.170841 Density= 0.108183 ETOT(band)= -0.116073 trlgG= -0.145491 logG= -0.028102 TDE= -0.170923 Density= 0.106167 ETOT(band)= -0.117120 trlgG= -0.146761 logG= -0.028382 TDE= -0.170915 logGD-logG0= -0.004346 tlogG= -0.023986 logG= -0.028332 Density= 0.106219 ETOT(band)= -0.117077 trlgG= -0.146648 logG= -0.028332 TDE= -0.170878 logGD-logG0= -0.004955 tlogG= -0.022184 logG= -0.027139 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108407 ETOT(band)= -0.115395 trlgG= -0.143937 logG= -0.027139 TDE= -0.170443 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.022471 logG= -0.027509 logGD-logG0= -0.002628 tlogG= -0.011995 logG= -0.014623 Density= 0.054007 ETOT(band)= -0.058398 trlgG= -0.073658 logG= -0.014623 TDE= -0.085760 Density= 0.108252 ETOT(band)= -0.115700 trlgG= -0.144544 logG= -0.027509 TDE= -0.170603 logGD-logG0= -0.004994 tlogG= -0.024106 logG= -0.029100 Density= 0.107428 ETOT(band)= -0.116994 trlgG= -0.147114 logG= -0.029100 TDE= -0.171175 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004622 tlogG= -0.023217 logG= -0.027839 Density= 0.106787 ETOT(band)= -0.116579 trlgG= -0.145442 logG= -0.027839 TDE= -0.170447 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.023885 logG= -0.029011 logGD-logG0= -0.005147 tlogG= -0.023444 logG= -0.028591 Density= 0.108297 ETOT(band)= -0.116516 trlgG= -0.146930 logG= -0.029011 TDE= -0.171510 Density= 0.108179 ETOT(band)= -0.116343 trlgG= -0.146265 logG= -0.028591 TDE= -0.171206 logGD-logG0= -0.005312 tlogG= -0.023916 logG= -0.029228 logGD-logG0= -0.005098 tlogG= -0.023230 logG= -0.028328 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108242 ETOT(band)= -0.116166 trlgG= -0.145847 logG= -0.028328 TDE= -0.171082 logGD-logG0= -0.005280 tlogG= -0.024085 logG= -0.029364 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107800 ETOT(band)= -0.116896 trlgG= -0.147277 logG= -0.029228 TDE= -0.171393 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022421 logG= -0.027435 Density= 0.107685 ETOT(band)= -0.115925 trlgG= -0.144421 logG= -0.027435 TDE= -0.170274 Density= 0.107691 ETOT(band)= -0.117030 trlgG= -0.147492 logG= -0.029364 TDE= -0.171418 logGD-logG0= -0.005287 tlogG= -0.023697 logG= -0.028983 Density= 0.107280 ETOT(band)= -0.116962 trlgG= -0.146821 logG= -0.028983 TDE= -0.170926 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.024147 logG= -0.029469 logGD-logG0= -0.005230 tlogG= -0.023980 logG= -0.029210 logGD-logG0= -0.004709 tlogG= -0.023001 logG= -0.027710 Density= 0.106923 ETOT(band)= -0.116448 trlgG= -0.145180 logG= -0.027710 TDE= -0.170380 Density= 0.107859 ETOT(band)= -0.117026 trlgG= -0.147681 logG= -0.029469 TDE= -0.171587 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.023512 logG= -0.028246 Density= 0.106823 ETOT(band)= -0.116770 trlgG= -0.145927 logG= -0.028246 TDE= -0.170543 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023681 logG= -0.028359 Density= 0.107493 ETOT(band)= -0.117015 trlgG= -0.147217 logG= -0.029210 TDE= -0.171200 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106647 ETOT(band)= -0.116916 trlgG= -0.146355 logG= -0.028359 TDE= -0.170770 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.022863 logG= -0.027728 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.023701 logG= -0.028532 Density= 0.107427 ETOT(band)= -0.116683 trlgG= -0.146373 logG= -0.028532 TDE= -0.171001 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107797 ETOT(band)= -0.116054 trlgG= -0.144906 logG= -0.027728 TDE= -0.170521 logGD-logG0= -0.004998 tlogG= -0.023656 logG= -0.028653 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107027 ETOT(band)= -0.116889 trlgG= -0.146270 logG= -0.028653 TDE= -0.170580 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.023905 logG= -0.028808 Density= 0.106806 ETOT(band)= -0.117072 trlgG= -0.146883 logG= -0.028808 TDE= -0.170928 logGD-logG0= -0.005129 tlogG= -0.023619 logG= -0.028748 logGD-logG0= -0.004708 tlogG= -0.023699 logG= -0.028407 Density= 0.107025 ETOT(band)= -0.116801 trlgG= -0.146462 logG= -0.028407 TDE= -0.171016 Density= 0.108252 ETOT(band)= -0.116390 trlgG= -0.146509 logG= -0.028748 TDE= -0.171330 logGD-logG0= -0.005289 tlogG= -0.024101 logG= -0.029390 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.024072 logG= -0.029336 Density= 0.107936 ETOT(band)= -0.116939 trlgG= -0.147556 logG= -0.029390 TDE= -0.171578 Density= 0.107995 ETOT(band)= -0.116871 trlgG= -0.147468 logG= -0.029336 TDE= -0.171573 logGD-logG0= -0.004881 tlogG= -0.024082 logG= -0.028962 Density= 0.107105 ETOT(band)= -0.117054 trlgG= -0.147139 logG= -0.028962 TDE= -0.171177 logGD-logG0= -0.005275 tlogG= -0.023884 logG= -0.029159 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107964 ETOT(band)= -0.116765 trlgG= -0.147171 logG= -0.029159 TDE= -0.171438 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.022888 logG= -0.028000 Density= 0.107665 ETOT(band)= -0.116258 trlgG= -0.145317 logG= -0.028000 TDE= -0.170595 logGD-logG0= -0.005313 tlogG= -0.023593 logG= -0.028906 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107849 ETOT(band)= -0.116668 trlgG= -0.146756 logG= -0.028906 TDE= -0.171219 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.022748 logG= -0.027781 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108297 ETOT(band)= -0.115837 trlgG= -0.144980 logG= -0.027781 TDE= -0.170790 logGD-logG0= -0.005303 tlogG= -0.023210 logG= -0.028512 Density= 0.107732 ETOT(band)= -0.116507 trlgG= -0.146126 logG= -0.028512 TDE= -0.170925 logGD-logG0= -0.009106 tlogG= -0.047655 logG= -0.056761 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213025 ETOT(band)= -0.233955 trlgG= -0.292844 logG= -0.056761 TDE= -0.341498 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009751 tlogG= -0.045616 logG= -0.055367 logGD-logG0= -0.004741 tlogG= -0.022865 logG= -0.027606 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107347 ETOT(band)= -0.116197 trlgG= -0.145030 logG= -0.027606 TDE= -0.170545 logGD-logG0= -0.009473 tlogG= -0.045786 logG= -0.055260 Density= 0.214465 ETOT(band)= -0.232576 trlgG= -0.290139 logG= -0.055367 TDE= -0.340899 Density= 0.215118 ETOT(band)= -0.232229 trlgG= -0.289964 logG= -0.055260 TDE= -0.341155 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.048270 logG= -0.058054 Density= 0.214499 ETOT(band)= -0.234068 trlgG= -0.294353 logG= -0.058054 TDE= -0.342444 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009649 tlogG= -0.047185 logG= -0.056834 logGD-logG0= -0.009535 tlogG= -0.047956 logG= -0.057491 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213371 ETOT(band)= -0.234166 trlgG= -0.293489 logG= -0.057491 TDE= -0.341585 Density= 0.213866 ETOT(band)= -0.233659 trlgG= -0.292775 logG= -0.056834 TDE= -0.341773 logGD-logG0= -0.009810 tlogG= -0.047180 logG= -0.056990 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.048007 logG= -0.058317 logGD-logG0= -0.009929 tlogG= -0.047926 logG= -0.057855 Density= 0.214067 ETOT(band)= -0.234105 trlgG= -0.294040 logG= -0.057855 TDE= -0.342116 Density= 0.215171 ETOT(band)= -0.233903 trlgG= -0.294283 logG= -0.058317 TDE= -0.342443 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 Density= 0.036212 ETOT(band)= -0.038115 trlgG= -0.047243 logG= -0.008621 TDE= -0.056541 logGD-logG0= -0.009423 tlogG= -0.047473 logG= -0.056897 Density= 0.214409 ETOT(band)= -0.233492 trlgG= -0.292908 logG= -0.056897 TDE= -0.342112 Density= 0.213877 ETOT(band)= -0.233703 trlgG= -0.292567 logG= -0.056990 TDE= -0.341414 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 Density= 0.035861 ETOT(band)= -0.038563 trlgG= -0.047902 logG= -0.008999 TDE= -0.056649 logGD-logG0= -0.010506 tlogG= -0.047774 logG= -0.058280 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214856 ETOT(band)= -0.233993 trlgG= -0.294187 logG= -0.058280 TDE= -0.342229 logGD-logG0= -0.010370 tlogG= -0.047814 logG= -0.058184 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010462 tlogG= -0.048108 logG= -0.058570 Density= 0.215169 ETOT(band)= -0.234048 trlgG= -0.294699 logG= -0.058570 TDE= -0.342605 logGD-logG0= -0.010543 tlogG= -0.048043 logG= -0.058585 Density= 0.215206 ETOT(band)= -0.234039 trlgG= -0.294726 logG= -0.058585 TDE= -0.342636 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214754 ETOT(band)= -0.233986 trlgG= -0.294018 logG= -0.058184 TDE= -0.342105 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047336 logG= -0.057732 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214361 ETOT(band)= -0.233885 trlgG= -0.293269 logG= -0.057732 TDE= -0.341613 logGD-logG0= -0.009858 tlogG= -0.045676 logG= -0.055534 Density= 0.215250 ETOT(band)= -0.232305 trlgG= -0.289956 logG= -0.055534 TDE= -0.340939 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010601 tlogG= -0.047556 logG= -0.058157 logGD-logG0= -0.010053 tlogG= -0.048056 logG= -0.058109 Density= 0.215799 ETOT(band)= -0.233497 trlgG= -0.294073 logG= -0.058157 TDE= -0.342704 Density= 0.214630 ETOT(band)= -0.234015 trlgG= -0.294103 logG= -0.058109 TDE= -0.342204 logGD-logG0= -0.010170 tlogG= -0.046440 logG= -0.056609 Density= 0.215315 ETOT(band)= -0.232868 trlgG= -0.291589 logG= -0.056609 TDE= -0.341528 logGD-logG0= -0.010566 tlogG= -0.047450 logG= -0.058015 logGD-logG0= -0.010526 tlogG= -0.047969 logG= -0.058496 Density= 0.215995 ETOT(band)= -0.233614 trlgG= -0.294636 logG= -0.058496 TDE= -0.343025 Density= 0.215566 ETOT(band)= -0.233537 trlgG= -0.293832 logG= -0.058015 TDE= -0.342490 logGD-logG0= -0.010656 tlogG= -0.048174 logG= -0.058830 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215521 ETOT(band)= -0.234066 trlgG= -0.295165 logG= -0.058830 TDE= -0.342986 logGD-logG0= -0.010169 tlogG= -0.047687 logG= -0.057855 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214048 ETOT(band)= -0.234091 trlgG= -0.293792 logG= -0.057855 TDE= -0.341858 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009778 tlogG= -0.047251 logG= -0.057029 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214576 ETOT(band)= -0.233454 trlgG= -0.292682 logG= -0.057029 TDE= -0.341835 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047918 logG= -0.058498 logGD-logG0= -0.010608 tlogG= -0.046907 logG= -0.057515 Density= 0.215866 ETOT(band)= -0.233686 trlgG= -0.294638 logG= -0.058498 TDE= -0.342961 Density= 0.215528 ETOT(band)= -0.233260 trlgG= -0.293032 logG= -0.057515 TDE= -0.342171 logGD-logG0= -0.010081 tlogG= -0.047180 logG= -0.057260 Density= 0.215249 ETOT(band)= -0.233270 trlgG= -0.292605 logG= -0.057260 TDE= -0.341861 logGD-logG0= -0.002464 tlogG= -0.010847 logG= -0.013311 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054088 ETOT(band)= -0.057572 trlgG= -0.071532 logG= -0.013311 TDE= -0.084986 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004990 tlogG= -0.021889 logG= -0.026879 Density= 0.108372 ETOT(band)= -0.115211 trlgG= -0.143488 logG= -0.026879 TDE= -0.170236 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004905 tlogG= -0.021579 logG= -0.026483 Density= 0.108562 ETOT(band)= -0.114845 trlgG= -0.142809 logG= -0.026483 TDE= -0.170047 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004824 tlogG= -0.021004 logG= -0.025828 Density= 0.108758 ETOT(band)= -0.114258 trlgG= -0.141652 logG= -0.025828 TDE= -0.169643 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.021831 logG= -0.026901 Density= 0.107839 ETOT(band)= -0.115497 trlgG= -0.143546 logG= -0.026901 TDE= -0.170009 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010018 tlogG= -0.043416 logG= -0.053434 Density= 0.216376 ETOT(band)= -0.230401 trlgG= -0.286453 logG= -0.053434 TDE= -0.340093 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005011 tlogG= -0.021708 logG= -0.026719 Density= 0.107982 ETOT(band)= -0.115305 trlgG= -0.143237 logG= -0.026719 TDE= -0.169953 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002404 tlogG= -0.010433 logG= -0.012837 Density= 0.054402 ETOT(band)= -0.057056 trlgG= -0.070687 logG= -0.012837 TDE= -0.084771 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005623 logG= -0.006860 Density= 0.080875 ETOT(band)= -0.086942 trlgG= -0.108597 logG= -0.006860 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005751 logG= -0.007009 Density= 0.080673 ETOT(band)= -0.087370 trlgG= -0.109599 logG= -0.007009 TDE= -0.042741 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 Density= 0.080868 ETOT(band)= -0.087621 trlgG= -0.110351 logG= -0.007219 TDE= -0.042860 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005859 logG= -0.007131 Density= 0.080685 ETOT(band)= -0.087585 trlgG= -0.110154 logG= -0.007131 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023429 logG= -0.028633 Density= 0.216296 ETOT(band)= -0.232589 trlgG= -0.292174 logG= -0.028633 TDE= -0.171165 logGD-logG0= -0.005072 tlogG= -0.023970 logG= -0.029042 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214439 ETOT(band)= -0.234019 trlgG= -0.293876 logG= -0.029042 TDE= -0.171040 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023895 logG= -0.028806 Density= 0.213887 ETOT(band)= -0.233931 trlgG= -0.292966 logG= -0.028806 TDE= -0.170769 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.023984 logG= -0.028555 logGD-logG0= -0.001275 tlogG= -0.005987 logG= -0.007262 Density= 0.212907 ETOT(band)= -0.234190 trlgG= -0.293448 logG= -0.028555 TDE= -0.170808 Density= 0.081097 ETOT(band)= -0.087524 trlgG= -0.110405 logG= -0.007262 TDE= -0.042890 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023849 logG= -0.028677 Density= 0.213672 ETOT(band)= -0.234070 trlgG= -0.293703 logG= -0.028677 TDE= -0.171025 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022453 logG= -0.027568 Density= 0.216468 ETOT(band)= -0.231218 trlgG= -0.288575 logG= -0.027568 TDE= -0.170544 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.024015 logG= -0.029236 Density= 0.215784 ETOT(band)= -0.233786 trlgG= -0.294792 logG= -0.029236 TDE= -0.171554 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009400 Density= 0.070900 ETOT(band)= -0.077922 trlgG= -0.097439 logG= -0.009400 TDE= -0.056954 logGD-logG0= -0.005254 tlogG= -0.023813 logG= -0.029067 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215432 ETOT(band)= -0.233691 trlgG= -0.294137 logG= -0.029067 TDE= -0.171402 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.023257 logG= -0.028034 Density= 0.213599 ETOT(band)= -0.233536 trlgG= -0.292186 logG= -0.028034 TDE= -0.170721 logGD-logG0= -0.005165 tlogG= -0.023207 logG= -0.028372 Density= 0.214968 ETOT(band)= -0.232881 trlgG= -0.291186 logG= -0.028372 TDE= -0.170595 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024020 logG= -0.028754 Density= 0.214218 ETOT(band)= -0.234010 trlgG= -0.294094 logG= -0.028754 TDE= -0.171207 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.024013 logG= -0.029198 logGD-logG0= -0.004647 tlogG= -0.023384 logG= -0.028030 Density= 0.216453 ETOT(band)= -0.233270 trlgG= -0.294318 logG= -0.029198 TDE= -0.171572 Density= 0.214282 ETOT(band)= -0.233297 trlgG= -0.292301 logG= -0.028030 TDE= -0.170885 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.022982 logG= -0.028158 Density= 0.216323 ETOT(band)= -0.232015 trlgG= -0.290560 logG= -0.028158 TDE= -0.170878 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023368 logG= -0.028798 logGD-logG0= -0.005070 tlogG= -0.023858 logG= -0.028929 Density= 0.215206 ETOT(band)= -0.233281 trlgG= -0.292680 logG= -0.028798 TDE= -0.170939 Density= 0.215594 ETOT(band)= -0.233687 trlgG= -0.294241 logG= -0.028929 TDE= -0.171090 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.024019 logG= -0.028786 Density= 0.321712 ETOT(band)= -0.350995 trlgG= -0.441287 logG= -0.028786 TDE= -0.171202 logGD-logG0= -0.005248 tlogG= -0.023496 logG= -0.028744 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215313 ETOT(band)= -0.233255 trlgG= -0.292874 logG= -0.028744 TDE= -0.171145 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004293 tlogG= -0.024143 logG= -0.028436 Density= 0.212271 ETOT(band)= -0.234291 trlgG= -0.293645 logG= -0.028436 TDE= -0.170954 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010398 tlogG= -0.047814 logG= -0.058212 Density= 0.324497 ETOT(band)= -0.349810 trlgG= -0.440974 logG= -0.058212 TDE= -0.342984 logGD-logG0= -0.005178 tlogG= -0.023970 logG= -0.029148 logGD-logG0= -0.005039 tlogG= -0.024175 logG= -0.029214 Density= 0.216487 ETOT(band)= -0.233167 trlgG= -0.294085 logG= -0.029148 TDE= -0.171545 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322588 ETOT(band)= -0.351111 trlgG= -0.441965 logG= -0.029214 TDE= -0.171208 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.023598 logG= -0.028081 Density= 0.212720 ETOT(band)= -0.233911 trlgG= -0.292698 logG= -0.028081 TDE= -0.170671 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004427 tlogG= -0.023751 logG= -0.028179 Density= 0.213188 ETOT(band)= -0.233505 trlgG= -0.291724 logG= -0.028179 TDE= -0.170756 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023380 logG= -0.028059 Density= 0.321784 ETOT(band)= -0.349948 trlgG= -0.438711 logG= -0.028059 TDE= -0.170877 logGD-logG0= -0.005313 tlogG= -0.024136 logG= -0.029449 logGD-logG0= -0.005013 tlogG= -0.024170 logG= -0.029183 Density= 0.214839 ETOT(band)= -0.234093 trlgG= -0.294493 logG= -0.029183 TDE= -0.171213 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215816 ETOT(band)= -0.233942 trlgG= -0.295207 logG= -0.029449 TDE= -0.171587 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.048068 logG= -0.058749 Density= 0.323394 ETOT(band)= -0.350878 trlgG= -0.442314 logG= -0.058749 TDE= -0.342976 logGD-logG0= -0.004597 tlogG= -0.023902 logG= -0.028499 Density= 0.213382 ETOT(band)= -0.233782 trlgG= -0.292455 logG= -0.028499 TDE= -0.170760 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.024098 logG= -0.029341 Density= 0.323208 ETOT(band)= -0.351085 trlgG= -0.442617 logG= -0.029341 TDE= -0.171400 logGD-logG0= -0.001187 tlogG= -0.005175 logG= -0.006361 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062569 ETOT(band)= -0.067523 trlgG= -0.084198 logG= -0.006361 TDE= -0.042354 logGD-logG0= -0.005361 tlogG= -0.023912 logG= -0.029273 Density= 0.215744 ETOT(band)= -0.233688 trlgG= -0.294519 logG= -0.029273 TDE= -0.171410 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.046443 logG= -0.056884 logGD-logG0= -0.001581 tlogG= -0.006879 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042662 trlgG= -0.052794 logG= -0.008460 TDE= -0.056456 Density= 0.324144 ETOT(band)= -0.348786 trlgG= -0.437542 logG= -0.056884 TDE= -0.342035 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010444 tlogG= -0.047263 logG= -0.057707 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324279 ETOT(band)= -0.349443 trlgG= -0.439627 logG= -0.057707 TDE= -0.342592 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009674 tlogG= -0.046631 logG= -0.056305 Density= 0.322854 ETOT(band)= -0.348906 trlgG= -0.436354 logG= -0.056305 TDE= -0.341564 logGD-logG0= -0.010170 tlogG= -0.045657 logG= -0.055826 Density= 0.324192 ETOT(band)= -0.347843 trlgG= -0.434924 logG= -0.055826 TDE= -0.341411 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.022917 logG= -0.027881 Density= 0.214898 ETOT(band)= -0.232326 trlgG= -0.289656 logG= -0.027881 TDE= -0.170409 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023971 logG= -0.029317 Density= 0.323808 ETOT(band)= -0.350552 trlgG= -0.442060 logG= -0.029317 TDE= -0.171459 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023698 logG= -0.029107 Density= 0.215507 ETOT(band)= -0.233539 trlgG= -0.293821 logG= -0.029107 TDE= -0.171233 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023258 logG= -0.028283 Density= 0.321851 ETOT(band)= -0.350454 trlgG= -0.439561 logG= -0.028283 TDE= -0.170832 logGD-logG0= -0.001571 tlogG= -0.007592 logG= -0.009163 Density= 0.071532 ETOT(band)= -0.077322 trlgG= -0.096143 logG= -0.009163 TDE= -0.056730 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009629 tlogG= -0.047865 logG= -0.057494 Density= 0.428233 ETOT(band)= -0.468003 trlgG= -0.587773 logG= -0.057494 TDE= -0.342219 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008944 tlogG= -0.048120 logG= -0.057064 Density= 0.425733 ETOT(band)= -0.468179 trlgG= -0.586382 logG= -0.057064 TDE= -0.341732 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005472 logG= -0.006696 logGD-logG0= -0.009438 tlogG= -0.046737 logG= -0.056175 Density= 0.081237 ETOT(band)= -0.086330 trlgG= -0.107360 logG= -0.006696 TDE= -0.042567 Density= 0.428095 ETOT(band)= -0.465975 trlgG= -0.581771 logG= -0.056175 TDE= -0.341173 logGD-logG0= -0.010133 tlogG= -0.048175 logG= -0.058307 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010242 tlogG= -0.047694 logG= -0.057936 Density= 0.428488 ETOT(band)= -0.467986 trlgG= -0.587104 logG= -0.057936 TDE= -0.341860 logGD-logG0= -0.009493 tlogG= -0.046633 logG= -0.056126 Density= 0.429497 ETOT(band)= -0.468118 trlgG= -0.588546 logG= -0.058307 TDE= -0.342266 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428296 ETOT(band)= -0.466699 trlgG= -0.584379 logG= -0.056126 TDE= -0.341589 logGD-logG0= -0.010301 tlogG= -0.047983 logG= -0.058284 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429400 ETOT(band)= -0.468080 trlgG= -0.588189 logG= -0.058284 TDE= -0.342105 logGD-logG0= -0.004792 tlogG= -0.022340 logG= -0.027131 logGD-logG0= -0.010477 tlogG= -0.048098 logG= -0.058575 Density= 0.430339 ETOT(band)= -0.467956 trlgG= -0.588987 logG= -0.058575 TDE= -0.342605 Density= 0.215129 ETOT(band)= -0.231880 trlgG= -0.289057 logG= -0.027131 TDE= -0.170231 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010266 tlogG= -0.048248 logG= -0.058515 Density= 0.430232 ETOT(band)= -0.468125 trlgG= -0.589314 logG= -0.058515 TDE= -0.342479 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.021316 logG= -0.026221 Density= 0.162722 ETOT(band)= -0.172937 trlgG= -0.215897 logG= -0.026221 TDE= -0.169860 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005197 tlogG= -0.023776 logG= -0.028973 Density= 0.216376 ETOT(band)= -0.232968 trlgG= -0.293381 logG= -0.028973 TDE= -0.171404 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.047757 logG= -0.058402 logGD-logG0= -0.010749 tlogG= -0.047720 logG= -0.058468 Density= 0.430947 ETOT(band)= -0.467381 trlgG= -0.588275 logG= -0.058402 TDE= -0.342622 Density= 0.431289 ETOT(band)= -0.467325 trlgG= -0.588635 logG= -0.058468 TDE= -0.342729 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009637 tlogG= -0.047675 logG= -0.057312 Density= 0.426869 ETOT(band)= -0.468210 trlgG= -0.586901 logG= -0.057312 TDE= -0.341750 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009985 tlogG= -0.047585 logG= -0.057571 logGD-logG0= -0.010305 tlogG= -0.046957 logG= -0.057263 logGD-logG0= -0.009590 tlogG= -0.047794 logG= -0.057385 Density= 0.430078 ETOT(band)= -0.466328 trlgG= -0.584149 logG= -0.057263 TDE= -0.341573 logGD-logG0= -0.009922 tlogG= -0.046426 logG= -0.056348 Density= 0.429731 ETOT(band)= -0.465411 trlgG= -0.581452 logG= -0.056348 TDE= -0.341285 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428805 ETOT(band)= -0.467332 trlgG= -0.586146 logG= -0.057571 TDE= -0.341905 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009806 tlogG= -0.047880 logG= -0.057685 Density= 0.429331 ETOT(band)= -0.467783 trlgG= -0.587750 logG= -0.057685 TDE= -0.342207 Density= 0.427375 ETOT(band)= -0.467761 trlgG= -0.585755 logG= -0.057385 TDE= -0.341452 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.048045 logG= -0.058718 Density= 0.431528 ETOT(band)= -0.467609 trlgG= -0.589629 logG= -0.058718 TDE= -0.342994 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047597 logG= -0.057826 Density= 0.430206 ETOT(band)= -0.466976 trlgG= -0.586079 logG= -0.057826 TDE= -0.342018 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004832 tlogG= -0.022340 logG= -0.027172 Density= 0.323022 ETOT(band)= -0.347874 trlgG= -0.433965 logG= -0.027172 TDE= -0.170225 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010704 tlogG= -0.047295 logG= -0.058000 Density= 0.430678 ETOT(band)= -0.466956 trlgG= -0.586803 logG= -0.058000 TDE= -0.342238 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.044649 logG= -0.054611 Density= 0.324435 ETOT(band)= -0.346574 trlgG= -0.431914 logG= -0.054611 TDE= -0.340734 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004944 tlogG= -0.022305 logG= -0.027249 logGD-logG0= -0.001692 tlogG= -0.007121 logG= -0.008814 Density= 0.072263 ETOT(band)= -0.076458 trlgG= -0.094833 logG= -0.008814 TDE= -0.056616 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214363 ETOT(band)= -0.232365 trlgG= -0.289406 logG= -0.027249 TDE= -0.170144 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004913 tlogG= -0.022485 logG= -0.027399 Density= 0.215125 ETOT(band)= -0.231591 trlgG= -0.288012 logG= -0.027399 TDE= -0.170157 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.021894 logG= -0.026971 Density= 0.216724 ETOT(band)= -0.230221 trlgG= -0.286459 logG= -0.026971 TDE= -0.170204 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004988 tlogG= -0.021365 logG= -0.026353 Density= 0.217119 ETOT(band)= -0.229114 trlgG= -0.284256 logG= -0.026353 TDE= -0.169873 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009810 tlogG= -0.044651 logG= -0.054461 Density= 0.431807 ETOT(band)= -0.461945 trlgG= -0.574678 logG= -0.054461 TDE= -0.340370 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004947 tlogG= -0.021220 logG= -0.026167 Density= 0.216446 ETOT(band)= -0.229972 trlgG= -0.285510 logG= -0.026167 TDE= -0.169779 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001205 tlogG= -0.005311 logG= -0.006515 Density= 0.081595 ETOT(band)= -0.085663 trlgG= -0.106202 logG= -0.006515 TDE= -0.042456 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.718346771352 eV TrLogG= -407.290896343377 eV Ratio to renormalize= 0.999571024863 rho-rho_expected= 0.009441503187 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964576636886196 0.940263198363990 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002325 tlogG= -0.011890 logG= -0.014215 Density= 0.053586 ETOT(band)= -0.058381 trlgG= -0.073254 logG= -0.014215 TDE= -0.085556 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.024058 logG= -0.028601 Density= 0.106438 ETOT(band)= -0.117111 trlgG= -0.146772 logG= -0.028601 TDE= -0.170842 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023697 logG= -0.028983 Density= 0.107281 ETOT(band)= -0.116963 trlgG= -0.146822 logG= -0.028983 TDE= -0.170927 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.023906 logG= -0.028808 Density= 0.106806 ETOT(band)= -0.117073 trlgG= -0.146884 logG= -0.028808 TDE= -0.170929 logGD-logG0= -0.004708 tlogG= -0.023699 logG= -0.028407 logGD-logG0= -0.005112 tlogG= -0.022889 logG= -0.028000 Density= 0.107666 ETOT(band)= -0.116259 trlgG= -0.145318 logG= -0.028000 TDE= -0.170596 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107025 ETOT(band)= -0.116802 trlgG= -0.146463 logG= -0.028407 TDE= -0.171017 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.024082 logG= -0.028962 Density= 0.107105 ETOT(band)= -0.117055 trlgG= -0.147140 logG= -0.028962 TDE= -0.171178 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.022865 logG= -0.027606 Density= 0.107347 ETOT(band)= -0.116198 trlgG= -0.145031 logG= -0.027606 TDE= -0.170546 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002420 tlogG= -0.012088 logG= -0.014509 Density= 0.053608 ETOT(band)= -0.058525 trlgG= -0.073616 logG= -0.014509 TDE= -0.085635 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002602 tlogG= -0.012039 logG= -0.014641 Density= 0.053787 ETOT(band)= -0.058515 trlgG= -0.073673 logG= -0.014641 TDE= -0.085648 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011454 logG= -0.013787 Density= 0.053762 ETOT(band)= -0.058051 trlgG= -0.072490 logG= -0.013787 TDE= -0.085307 logGD-logG0= -0.005126 tlogG= -0.023885 logG= -0.029011 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001486 tlogG= -0.007815 logG= -0.009301 Density= 0.035509 ETOT(band)= -0.038911 trlgG= -0.048599 logG= -0.009301 TDE= -0.056870 Density= 0.108298 ETOT(band)= -0.116516 trlgG= -0.146931 logG= -0.029011 TDE= -0.171511 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023980 logG= -0.029210 Density= 0.107493 ETOT(band)= -0.117016 trlgG= -0.147218 logG= -0.029210 TDE= -0.171201 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 Density= 0.035330 ETOT(band)= -0.039062 trlgG= -0.048963 logG= -0.009452 TDE= -0.056993 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023884 logG= -0.029159 Density= 0.107965 ETOT(band)= -0.116766 trlgG= -0.147172 logG= -0.029159 TDE= -0.171439 logGD-logG0= -0.002559 tlogG= -0.011991 logG= -0.014550 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.023778 logG= -0.028929 Density= 0.054162 ETOT(band)= -0.058278 trlgG= -0.073538 logG= -0.014550 TDE= -0.085789 Density= 0.108226 ETOT(band)= -0.116505 trlgG= -0.146801 logG= -0.028929 TDE= -0.171428 logGD-logG0= -0.004319 tlogG= -0.024063 logG= -0.028382 logGD-logG0= -0.009106 tlogG= -0.047656 logG= -0.056761 logGD-logG0= -0.005312 tlogG= -0.023593 logG= -0.028906 Density= 0.107849 ETOT(band)= -0.116669 trlgG= -0.146757 logG= -0.028906 TDE= -0.171220 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213026 ETOT(band)= -0.233957 trlgG= -0.292847 logG= -0.056761 TDE= -0.341501 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002628 tlogG= -0.011995 logG= -0.014623 Density= 0.054007 ETOT(band)= -0.058398 trlgG= -0.073658 logG= -0.014623 TDE= -0.085761 Density= 0.106167 ETOT(band)= -0.117121 trlgG= -0.146762 logG= -0.028382 TDE= -0.170916 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022997 logG= -0.028102 Density= 0.108184 ETOT(band)= -0.116074 trlgG= -0.145491 logG= -0.028102 TDE= -0.170924 logGD-logG0= -0.005037 tlogG= -0.022472 logG= -0.027509 logGD-logG0= -0.004346 tlogG= -0.023986 logG= -0.028332 Density= 0.106219 ETOT(band)= -0.117078 trlgG= -0.146649 logG= -0.028332 TDE= -0.170879 logGD-logG0= -0.005147 tlogG= -0.023444 logG= -0.028591 Density= 0.108179 ETOT(band)= -0.116344 trlgG= -0.146266 logG= -0.028591 TDE= -0.171207 logGD-logG0= -0.005279 tlogG= -0.024085 logG= -0.029364 Density= 0.108252 ETOT(band)= -0.115701 trlgG= -0.144545 logG= -0.027509 TDE= -0.170604 Density= 0.107691 ETOT(band)= -0.117031 trlgG= -0.147492 logG= -0.029364 TDE= -0.171419 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.022863 logG= -0.027728 logGD-logG0= -0.004622 tlogG= -0.023217 logG= -0.027839 Density= 0.106787 ETOT(band)= -0.116580 trlgG= -0.145443 logG= -0.027839 TDE= -0.170448 logGD-logG0= -0.004955 tlogG= -0.022184 logG= -0.027139 Density= 0.107797 ETOT(band)= -0.116055 trlgG= -0.144907 logG= -0.027728 TDE= -0.170522 Density= 0.108408 ETOT(band)= -0.115395 trlgG= -0.143937 logG= -0.027139 TDE= -0.170444 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.024106 logG= -0.029099 Density= 0.107428 ETOT(band)= -0.116995 trlgG= -0.147115 logG= -0.029099 TDE= -0.171176 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023964 logG= -0.029103 Density= 0.108277 ETOT(band)= -0.116580 trlgG= -0.147079 logG= -0.029103 TDE= -0.171558 logGD-logG0= -0.004734 tlogG= -0.023512 logG= -0.028246 Density= 0.106823 ETOT(band)= -0.116771 trlgG= -0.145928 logG= -0.028246 TDE= -0.170544 logGD-logG0= -0.005312 tlogG= -0.023916 logG= -0.029228 logGD-logG0= -0.005098 tlogG= -0.023230 logG= -0.028328 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107800 ETOT(band)= -0.116897 trlgG= -0.147278 logG= -0.029228 TDE= -0.171395 Density= 0.108243 ETOT(band)= -0.116167 trlgG= -0.145847 logG= -0.028328 TDE= -0.171083 logGD-logG0= -0.004998 tlogG= -0.023656 logG= -0.028653 Density= 0.107028 ETOT(band)= -0.116890 trlgG= -0.146271 logG= -0.028653 TDE= -0.170581 logGD-logG0= -0.005013 tlogG= -0.022421 logG= -0.027435 logGD-logG0= -0.005033 tlogG= -0.022748 logG= -0.027781 Density= 0.107685 ETOT(band)= -0.115925 trlgG= -0.144422 logG= -0.027435 TDE= -0.170275 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.024147 logG= -0.029469 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107859 ETOT(band)= -0.117027 trlgG= -0.147682 logG= -0.029469 TDE= -0.171588 Density= 0.108297 ETOT(band)= -0.115838 trlgG= -0.144981 logG= -0.027781 TDE= -0.170791 logGD-logG0= -0.004830 tlogG= -0.023701 logG= -0.028532 Density= 0.107427 ETOT(band)= -0.116684 trlgG= -0.146374 logG= -0.028532 TDE= -0.171002 logGD-logG0= -0.004679 tlogG= -0.023681 logG= -0.028359 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.024101 logG= -0.029390 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107936 ETOT(band)= -0.116939 trlgG= -0.147557 logG= -0.029390 TDE= -0.171579 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106647 ETOT(band)= -0.116917 trlgG= -0.146356 logG= -0.028359 TDE= -0.170772 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023619 logG= -0.028748 Density= 0.108252 ETOT(band)= -0.116390 trlgG= -0.146510 logG= -0.028748 TDE= -0.171331 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023210 logG= -0.028512 Density= 0.107732 ETOT(band)= -0.116507 trlgG= -0.146127 logG= -0.028512 TDE= -0.170926 logGD-logG0= -0.005264 tlogG= -0.024072 logG= -0.029336 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107996 ETOT(band)= -0.116872 trlgG= -0.147468 logG= -0.029336 TDE= -0.171574 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.048270 logG= -0.058054 Density= 0.214499 ETOT(band)= -0.234070 trlgG= -0.294355 logG= -0.058054 TDE= -0.342447 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009473 tlogG= -0.045787 logG= -0.055260 Density= 0.215118 ETOT(band)= -0.232231 trlgG= -0.289965 logG= -0.055260 TDE= -0.341157 logGD-logG0= -0.009649 tlogG= -0.047185 logG= -0.056834 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.021889 logG= -0.026879 Density= 0.213866 ETOT(band)= -0.233661 trlgG= -0.292777 logG= -0.056834 TDE= -0.341775 Density= 0.108372 ETOT(band)= -0.115211 trlgG= -0.143488 logG= -0.026879 TDE= -0.170237 logGD-logG0= -0.009751 tlogG= -0.045616 logG= -0.055367 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214465 ETOT(band)= -0.232578 trlgG= -0.290140 logG= -0.055367 TDE= -0.340901 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009928 tlogG= -0.047927 logG= -0.057855 Density= 0.214068 ETOT(band)= -0.234106 trlgG= -0.294042 logG= -0.057855 TDE= -0.342118 logGD-logG0= -0.009423 tlogG= -0.047474 logG= -0.056896 logGD-logG0= -0.009535 tlogG= -0.047956 logG= -0.057491 Density= 0.214410 ETOT(band)= -0.233494 trlgG= -0.292910 logG= -0.056896 TDE= -0.342114 Density= 0.213372 ETOT(band)= -0.234167 trlgG= -0.293491 logG= -0.057491 TDE= -0.341587 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047180 logG= -0.056990 logGD-logG0= -0.010461 tlogG= -0.048109 logG= -0.058570 Density= 0.213878 ETOT(band)= -0.233705 trlgG= -0.292569 logG= -0.056990 TDE= -0.341416 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 Density= 0.035861 ETOT(band)= -0.038563 trlgG= -0.047902 logG= -0.008999 TDE= -0.056649 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215170 ETOT(band)= -0.234049 trlgG= -0.294701 logG= -0.058570 TDE= -0.342608 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010506 tlogG= -0.047774 logG= -0.058280 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214856 ETOT(band)= -0.233994 trlgG= -0.294189 logG= -0.058280 TDE= -0.342231 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 Density= 0.036212 ETOT(band)= -0.038116 trlgG= -0.047243 logG= -0.008621 TDE= -0.056542 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002403 tlogG= -0.010433 logG= -0.012837 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054402 ETOT(band)= -0.057056 trlgG= -0.070687 logG= -0.012837 TDE= -0.084771 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010309 tlogG= -0.048007 logG= -0.058317 logGD-logG0= -0.010542 tlogG= -0.048043 logG= -0.058585 Density= 0.215206 ETOT(band)= -0.234041 trlgG= -0.294728 logG= -0.058585 TDE= -0.342638 logGD-logG0= -0.010370 tlogG= -0.047814 logG= -0.058184 Density= 0.214755 ETOT(band)= -0.233988 trlgG= -0.294020 logG= -0.058184 TDE= -0.342108 logGD-logG0= -0.010053 tlogG= -0.048056 logG= -0.058109 Density= 0.214630 ETOT(band)= -0.234017 trlgG= -0.294105 logG= -0.058109 TDE= -0.342206 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215172 ETOT(band)= -0.233904 trlgG= -0.294285 logG= -0.058317 TDE= -0.342446 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047336 logG= -0.057732 Density= 0.214361 ETOT(band)= -0.233887 trlgG= -0.293270 logG= -0.057732 TDE= -0.341615 logGD-logG0= -0.010600 tlogG= -0.047557 logG= -0.058157 logGD-logG0= -0.009857 tlogG= -0.045676 logG= -0.055533 Density= 0.215250 ETOT(band)= -0.232307 trlgG= -0.289957 logG= -0.055533 TDE= -0.340941 logGD-logG0= -0.010168 tlogG= -0.047687 logG= -0.057855 Density= 0.214049 ETOT(band)= -0.234093 trlgG= -0.293794 logG= -0.057855 TDE= -0.341861 logGD-logG0= -0.010526 tlogG= -0.047969 logG= -0.058495 Density= 0.215800 ETOT(band)= -0.233498 trlgG= -0.294075 logG= -0.058157 TDE= -0.342707 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215995 ETOT(band)= -0.233615 trlgG= -0.294638 logG= -0.058495 TDE= -0.343028 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010655 tlogG= -0.048174 logG= -0.058829 Density= 0.215522 ETOT(band)= -0.234067 trlgG= -0.295166 logG= -0.058829 TDE= -0.342988 logGD-logG0= -0.010565 tlogG= -0.047450 logG= -0.058015 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215567 ETOT(band)= -0.233538 trlgG= -0.293834 logG= -0.058015 TDE= -0.342492 logGD-logG0= -0.010169 tlogG= -0.046440 logG= -0.056609 logGD-logG0= -0.002464 tlogG= -0.010847 logG= -0.013311 Density= 0.215316 ETOT(band)= -0.232870 trlgG= -0.291590 logG= -0.056609 TDE= -0.341530 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054088 ETOT(band)= -0.057572 trlgG= -0.071532 logG= -0.013311 TDE= -0.084986 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010580 tlogG= -0.047918 logG= -0.058498 Density= 0.215867 ETOT(band)= -0.233687 trlgG= -0.294639 logG= -0.058498 TDE= -0.342963 logGD-logG0= -0.010608 tlogG= -0.046907 logG= -0.057515 Density= 0.215529 ETOT(band)= -0.233261 trlgG= -0.293034 logG= -0.057515 TDE= -0.342173 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010080 tlogG= -0.047180 logG= -0.057260 logGD-logG0= -0.009778 tlogG= -0.047251 logG= -0.057029 Density= 0.214576 ETOT(band)= -0.233455 trlgG= -0.292684 logG= -0.057029 TDE= -0.341838 Density= 0.215250 ETOT(band)= -0.233271 trlgG= -0.292607 logG= -0.057260 TDE= -0.341863 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004824 tlogG= -0.021004 logG= -0.025828 Density= 0.108759 ETOT(band)= -0.114258 trlgG= -0.141653 logG= -0.025828 TDE= -0.169644 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004709 tlogG= -0.023001 logG= -0.027710 Density= 0.106923 ETOT(band)= -0.116449 trlgG= -0.145181 logG= -0.027710 TDE= -0.170382 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010017 tlogG= -0.043416 logG= -0.053433 Density= 0.216377 ETOT(band)= -0.230403 trlgG= -0.286454 logG= -0.053433 TDE= -0.340095 logGD-logG0= -0.004904 tlogG= -0.021579 logG= -0.026483 Density= 0.108562 ETOT(band)= -0.114846 trlgG= -0.142809 logG= -0.026483 TDE= -0.170048 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.021831 logG= -0.026901 Density= 0.107839 ETOT(band)= -0.115498 trlgG= -0.143547 logG= -0.026901 TDE= -0.170010 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005011 tlogG= -0.021708 logG= -0.026719 Density= 0.107982 ETOT(band)= -0.115306 trlgG= -0.143238 logG= -0.026719 TDE= -0.169954 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001257 tlogG= -0.005751 logG= -0.007009 Density= 0.080673 ETOT(band)= -0.087371 trlgG= -0.109600 logG= -0.007009 TDE= -0.042741 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.023970 logG= -0.029042 Density= 0.214439 ETOT(band)= -0.234021 trlgG= -0.293878 logG= -0.029042 TDE= -0.171041 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.023985 logG= -0.028555 Density= 0.212908 ETOT(band)= -0.234192 trlgG= -0.293450 logG= -0.028555 TDE= -0.170809 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023849 logG= -0.028677 Density= 0.213672 ETOT(band)= -0.234071 trlgG= -0.293705 logG= -0.028677 TDE= -0.171026 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023384 logG= -0.028030 Density= 0.214283 ETOT(band)= -0.233299 trlgG= -0.292303 logG= -0.028030 TDE= -0.170886 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023208 logG= -0.028372 Density= 0.214969 ETOT(band)= -0.232882 trlgG= -0.291187 logG= -0.028372 TDE= -0.170596 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024020 logG= -0.028753 Density= 0.214219 ETOT(band)= -0.234011 trlgG= -0.294096 logG= -0.028753 TDE= -0.171208 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004791 tlogG= -0.022340 logG= -0.027131 Density= 0.215130 ETOT(band)= -0.231882 trlgG= -0.289058 logG= -0.027131 TDE= -0.170232 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005859 logG= -0.007131 Density= 0.080685 ETOT(band)= -0.087586 trlgG= -0.110154 logG= -0.007131 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004293 tlogG= -0.024143 logG= -0.028436 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 Density= 0.080869 ETOT(band)= -0.087621 trlgG= -0.110351 logG= -0.007219 TDE= -0.042861 Density= 0.212272 ETOT(band)= -0.234293 trlgG= -0.293647 logG= -0.028436 TDE= -0.170955 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009400 Density= 0.070901 ETOT(band)= -0.077923 trlgG= -0.097440 logG= -0.009400 TDE= -0.056955 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001186 tlogG= -0.005175 logG= -0.006361 Density= 0.062569 ETOT(band)= -0.067523 trlgG= -0.084199 logG= -0.006361 TDE= -0.042354 logGD-logG0= -0.004597 tlogG= -0.023902 logG= -0.028499 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213382 ETOT(band)= -0.233783 trlgG= -0.292458 logG= -0.028499 TDE= -0.170761 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.023598 logG= -0.028081 Density= 0.212720 ETOT(band)= -0.233913 trlgG= -0.292700 logG= -0.028081 TDE= -0.170673 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.024170 logG= -0.029183 Density= 0.214840 ETOT(band)= -0.234094 trlgG= -0.294494 logG= -0.029183 TDE= -0.171214 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005623 logG= -0.006860 logGD-logG0= -0.001275 tlogG= -0.005987 logG= -0.007262 Density= 0.080875 ETOT(band)= -0.086942 trlgG= -0.108597 logG= -0.006860 TDE= -0.042665 logGD-logG0= -0.005361 tlogG= -0.023912 logG= -0.029273 Density= 0.215745 ETOT(band)= -0.233689 trlgG= -0.294521 logG= -0.029273 TDE= -0.171411 Density= 0.081098 ETOT(band)= -0.087525 trlgG= -0.110405 logG= -0.007262 TDE= -0.042891 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023970 logG= -0.029148 Density= 0.216488 ETOT(band)= -0.233168 trlgG= -0.294087 logG= -0.029148 TDE= -0.171546 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008944 tlogG= -0.048120 logG= -0.057064 Density= 0.425734 ETOT(band)= -0.468182 trlgG= -0.586386 logG= -0.057064 TDE= -0.341735 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023698 logG= -0.029107 Density= 0.215507 ETOT(band)= -0.233541 trlgG= -0.293822 logG= -0.029107 TDE= -0.171234 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004427 tlogG= -0.023752 logG= -0.028179 logGD-logG0= -0.005220 tlogG= -0.024015 logG= -0.029235 Density= 0.215785 ETOT(band)= -0.233787 trlgG= -0.294793 logG= -0.029235 TDE= -0.171556 Density= 0.213189 ETOT(band)= -0.233507 trlgG= -0.291726 logG= -0.028179 TDE= -0.170757 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023813 logG= -0.029067 Density= 0.215433 ETOT(band)= -0.233692 trlgG= -0.294139 logG= -0.029067 TDE= -0.171403 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001581 tlogG= -0.006879 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042662 trlgG= -0.052794 logG= -0.008460 TDE= -0.056456 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.022917 logG= -0.027881 Density= 0.214899 ETOT(band)= -0.232328 trlgG= -0.289657 logG= -0.027881 TDE= -0.170410 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.023496 logG= -0.028744 Density= 0.215314 ETOT(band)= -0.233257 trlgG= -0.292876 logG= -0.028744 TDE= -0.171146 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007592 logG= -0.009163 Density= 0.071532 ETOT(band)= -0.077323 trlgG= -0.096144 logG= -0.009163 TDE= -0.056730 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.024019 logG= -0.028786 Density= 0.321713 ETOT(band)= -0.350998 trlgG= -0.441290 logG= -0.028786 TDE= -0.171204 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023858 logG= -0.028928 Density= 0.215595 ETOT(band)= -0.233688 trlgG= -0.294242 logG= -0.028928 TDE= -0.171091 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009962 tlogG= -0.044649 logG= -0.054611 Density= 0.324436 ETOT(band)= -0.346576 trlgG= -0.431916 logG= -0.054611 TDE= -0.340736 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.024013 logG= -0.029198 Density= 0.216454 ETOT(band)= -0.233272 trlgG= -0.294319 logG= -0.029198 TDE= -0.171573 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.024175 logG= -0.029214 Density= 0.322589 ETOT(band)= -0.351113 trlgG= -0.441968 logG= -0.029214 TDE= -0.171210 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010397 tlogG= -0.047814 logG= -0.058211 Density= 0.324499 ETOT(band)= -0.349812 trlgG= -0.440976 logG= -0.058211 TDE= -0.342986 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.024136 logG= -0.029449 Density= 0.215817 ETOT(band)= -0.233943 trlgG= -0.295209 logG= -0.029449 TDE= -0.171588 logGD-logG0= -0.005197 tlogG= -0.023776 logG= -0.028973 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216377 ETOT(band)= -0.232970 trlgG= -0.293382 logG= -0.028973 TDE= -0.171405 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022453 logG= -0.027568 Density= 0.216469 ETOT(band)= -0.231219 trlgG= -0.288577 logG= -0.027568 TDE= -0.170545 logGD-logG0= -0.009437 tlogG= -0.046737 logG= -0.056175 logGD-logG0= -0.005204 tlogG= -0.023429 logG= -0.028633 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428096 ETOT(band)= -0.465978 trlgG= -0.581775 logG= -0.056175 TDE= -0.341175 Density= 0.216296 ETOT(band)= -0.232590 trlgG= -0.292176 logG= -0.028633 TDE= -0.171167 logGD-logG0= -0.005176 tlogG= -0.022982 logG= -0.028158 Density= 0.216324 ETOT(band)= -0.232017 trlgG= -0.290561 logG= -0.028158 TDE= -0.170879 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010680 tlogG= -0.048068 logG= -0.058748 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323395 ETOT(band)= -0.350880 trlgG= -0.442317 logG= -0.058748 TDE= -0.342978 logGD-logG0= -0.004911 tlogG= -0.023895 logG= -0.028806 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213888 ETOT(band)= -0.233933 trlgG= -0.292968 logG= -0.028806 TDE= -0.170771 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023380 logG= -0.028059 Density= 0.321785 ETOT(band)= -0.349950 trlgG= -0.438713 logG= -0.028059 TDE= -0.170878 logGD-logG0= -0.005244 tlogG= -0.024098 logG= -0.029341 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323210 ETOT(band)= -0.351088 trlgG= -0.442620 logG= -0.029341 TDE= -0.171401 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.045657 logG= -0.055826 logGD-logG0= -0.009674 tlogG= -0.046631 logG= -0.056305 Density= 0.324193 ETOT(band)= -0.347845 trlgG= -0.434926 logG= -0.055826 TDE= -0.341414 Density= 0.322855 ETOT(band)= -0.348908 trlgG= -0.436357 logG= -0.056305 TDE= -0.341567 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022485 logG= -0.027398 Density= 0.215126 ETOT(band)= -0.231592 trlgG= -0.288013 logG= -0.027398 TDE= -0.170158 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.046443 logG= -0.056884 logGD-logG0= -0.010443 tlogG= -0.047263 logG= -0.057707 Density= 0.324281 ETOT(band)= -0.349445 trlgG= -0.439629 logG= -0.057707 TDE= -0.342594 logGD-logG0= -0.004905 tlogG= -0.021316 logG= -0.026221 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324145 ETOT(band)= -0.348788 trlgG= -0.437544 logG= -0.056884 TDE= -0.342037 Density= 0.162723 ETOT(band)= -0.172938 trlgG= -0.215898 logG= -0.026221 TDE= -0.169861 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004777 tlogG= -0.023257 logG= -0.028034 Density= 0.213599 ETOT(band)= -0.233538 trlgG= -0.292188 logG= -0.028034 TDE= -0.170722 logGD-logG0= -0.009636 tlogG= -0.047676 logG= -0.057312 Density= 0.426871 ETOT(band)= -0.468214 trlgG= -0.586905 logG= -0.057312 TDE= -0.341752 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009590 tlogG= -0.047795 logG= -0.057385 Density= 0.427376 ETOT(band)= -0.467765 trlgG= -0.585759 logG= -0.057385 TDE= -0.341454 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005025 tlogG= -0.023258 logG= -0.028283 Density= 0.321852 ETOT(band)= -0.350456 trlgG= -0.439564 logG= -0.028283 TDE= -0.170833 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023971 logG= -0.029317 Density= 0.323810 ETOT(band)= -0.350554 trlgG= -0.442062 logG= -0.029317 TDE= -0.171460 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.046427 logG= -0.056348 Density= 0.429733 ETOT(band)= -0.465414 trlgG= -0.581456 logG= -0.056348 TDE= -0.341287 logGD-logG0= -0.001205 tlogG= -0.005311 logG= -0.006515 Density= 0.081595 ETOT(band)= -0.085664 trlgG= -0.106202 logG= -0.006515 TDE= -0.042456 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009629 tlogG= -0.047865 logG= -0.057494 Density= 0.428234 ETOT(band)= -0.468006 trlgG= -0.587777 logG= -0.057494 TDE= -0.342222 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023368 logG= -0.028798 Density= 0.215207 ETOT(band)= -0.233282 trlgG= -0.292682 logG= -0.028798 TDE= -0.170940 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010242 tlogG= -0.047694 logG= -0.057936 logGD-logG0= -0.010266 tlogG= -0.048248 logG= -0.058514 Density= 0.428490 ETOT(band)= -0.467989 trlgG= -0.587108 logG= -0.057936 TDE= -0.341863 logGD-logG0= -0.009492 tlogG= -0.046633 logG= -0.056126 Density= 0.428297 ETOT(band)= -0.466703 trlgG= -0.584383 logG= -0.056126 TDE= -0.341591 Density= 0.430234 ETOT(band)= -0.468128 trlgG= -0.589318 logG= -0.058514 TDE= -0.342482 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.047983 logG= -0.058284 Density= 0.429402 ETOT(band)= -0.468083 trlgG= -0.588193 logG= -0.058284 TDE= -0.342107 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010132 tlogG= -0.048175 logG= -0.058307 Density= 0.429499 ETOT(band)= -0.468121 trlgG= -0.588549 logG= -0.058307 TDE= -0.342269 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009805 tlogG= -0.047880 logG= -0.057685 Density= 0.429333 ETOT(band)= -0.467786 trlgG= -0.587754 logG= -0.057685 TDE= -0.342209 logGD-logG0= -0.010748 tlogG= -0.047720 logG= -0.058468 Density= 0.431290 ETOT(band)= -0.467328 trlgG= -0.588639 logG= -0.058468 TDE= -0.342731 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.048098 logG= -0.058574 logGD-logG0= -0.001692 tlogG= -0.007122 logG= -0.008814 Density= 0.072263 ETOT(band)= -0.076458 trlgG= -0.094833 logG= -0.008814 TDE= -0.056616 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430341 ETOT(band)= -0.467959 trlgG= -0.588990 logG= -0.058574 TDE= -0.342607 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.047757 logG= -0.058402 Density= 0.430949 ETOT(band)= -0.467384 trlgG= -0.588279 logG= -0.058402 TDE= -0.342624 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.021365 logG= -0.026353 logGD-logG0= -0.010305 tlogG= -0.046957 logG= -0.057262 Density= 0.217119 ETOT(band)= -0.229116 trlgG= -0.284257 logG= -0.026353 TDE= -0.169874 Density= 0.430079 ETOT(band)= -0.466331 trlgG= -0.584153 logG= -0.057262 TDE= -0.341576 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.048046 logG= -0.058718 Density= 0.431530 ETOT(band)= -0.467612 trlgG= -0.589632 logG= -0.058718 TDE= -0.342996 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009985 tlogG= -0.047585 logG= -0.057570 Density= 0.428806 ETOT(band)= -0.467335 trlgG= -0.586150 logG= -0.057570 TDE= -0.341907 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010229 tlogG= -0.047597 logG= -0.057826 Density= 0.430207 ETOT(band)= -0.466979 trlgG= -0.586082 logG= -0.057826 TDE= -0.342021 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010704 tlogG= -0.047296 logG= -0.058000 logGD-logG0= -0.004832 tlogG= -0.022340 logG= -0.027172 Density= 0.323023 ETOT(band)= -0.347877 trlgG= -0.433967 logG= -0.027172 TDE= -0.170227 Density= 0.430679 ETOT(band)= -0.466959 trlgG= -0.586806 logG= -0.058000 TDE= -0.342240 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005472 logG= -0.006696 Density= 0.081237 ETOT(band)= -0.086331 trlgG= -0.107360 logG= -0.006696 TDE= -0.042567 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009809 tlogG= -0.044651 logG= -0.054460 Density= 0.431809 ETOT(band)= -0.461948 trlgG= -0.574681 logG= -0.054460 TDE= -0.340372 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.021894 logG= -0.026970 Density= 0.216725 ETOT(band)= -0.230222 trlgG= -0.286461 logG= -0.026970 TDE= -0.170205 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004944 tlogG= -0.022305 logG= -0.027249 Density= 0.214364 ETOT(band)= -0.232366 trlgG= -0.289408 logG= -0.027249 TDE= -0.170145 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004947 tlogG= -0.021220 logG= -0.026167 Density= 0.216447 ETOT(band)= -0.229973 trlgG= -0.285512 logG= -0.026167 TDE= -0.169780 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.720496194190 eV TrLogG= -407.293834062285 eV Ratio to renormalize= 0.999567527375 rho-rho_expected= 0.009518514239 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964590538511484 0.940274345754809 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002325 tlogG= -0.011890 logG= -0.014215 Density= 0.053586 ETOT(band)= -0.058381 trlgG= -0.073253 logG= -0.014215 TDE= -0.085555 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.024058 logG= -0.028601 Density= 0.106437 ETOT(band)= -0.117110 trlgG= -0.146771 logG= -0.028601 TDE= -0.170841 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023697 logG= -0.028984 Density= 0.107280 ETOT(band)= -0.116962 trlgG= -0.146822 logG= -0.028984 TDE= -0.170926 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.023656 logG= -0.028654 logGD-logG0= -0.004679 tlogG= -0.023681 logG= -0.028360 Density= 0.106647 ETOT(band)= -0.116917 trlgG= -0.146356 logG= -0.028360 TDE= -0.170771 Density= 0.107027 ETOT(band)= -0.116890 trlgG= -0.146271 logG= -0.028654 TDE= -0.170580 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004903 tlogG= -0.023906 logG= -0.028808 Density= 0.106806 ETOT(band)= -0.117072 trlgG= -0.146883 logG= -0.028808 TDE= -0.170928 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.024082 logG= -0.028963 Density= 0.107105 ETOT(band)= -0.117054 trlgG= -0.147139 logG= -0.028963 TDE= -0.171177 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.022865 logG= -0.027606 Density= 0.107347 ETOT(band)= -0.116197 trlgG= -0.145030 logG= -0.027606 TDE= -0.170545 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 Density= 0.035330 ETOT(band)= -0.039061 trlgG= -0.048962 logG= -0.009452 TDE= -0.056993 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004319 tlogG= -0.024063 logG= -0.028382 Density= 0.106167 ETOT(band)= -0.117120 trlgG= -0.146761 logG= -0.028382 TDE= -0.170915 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004622 tlogG= -0.023217 logG= -0.027839 Density= 0.106787 ETOT(band)= -0.116579 trlgG= -0.145443 logG= -0.027839 TDE= -0.170447 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022421 logG= -0.027435 Density= 0.107684 ETOT(band)= -0.115925 trlgG= -0.144421 logG= -0.027435 TDE= -0.170274 logGD-logG0= -0.004709 tlogG= -0.023001 logG= -0.027711 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106923 ETOT(band)= -0.116448 trlgG= -0.145180 logG= -0.027711 TDE= -0.170381 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002420 tlogG= -0.012088 logG= -0.014509 Density= 0.053608 ETOT(band)= -0.058525 trlgG= -0.073615 logG= -0.014509 TDE= -0.085635 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011454 logG= -0.013787 Density= 0.053761 ETOT(band)= -0.058051 trlgG= -0.072489 logG= -0.013787 TDE= -0.085306 logGD-logG0= -0.001486 tlogG= -0.007815 logG= -0.009301 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035509 ETOT(band)= -0.038911 trlgG= -0.048598 logG= -0.009301 TDE= -0.056869 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012039 logG= -0.014641 Density= 0.053787 ETOT(band)= -0.058514 trlgG= -0.073673 logG= -0.014641 TDE= -0.085648 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 Density= 0.036212 ETOT(band)= -0.038115 trlgG= -0.047243 logG= -0.008621 TDE= -0.056541 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005139 tlogG= -0.023964 logG= -0.029103 Density= 0.108277 ETOT(band)= -0.116580 trlgG= -0.147079 logG= -0.029103 TDE= -0.171557 logGD-logG0= -0.005152 tlogG= -0.023778 logG= -0.028930 Density= 0.108226 ETOT(band)= -0.116505 trlgG= -0.146801 logG= -0.028930 TDE= -0.171427 logGD-logG0= -0.005038 tlogG= -0.022472 logG= -0.027509 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108252 ETOT(band)= -0.115700 trlgG= -0.144544 logG= -0.027509 TDE= -0.170603 logGD-logG0= -0.002628 tlogG= -0.011995 logG= -0.014623 logGD-logG0= -0.004347 tlogG= -0.023986 logG= -0.028333 Density= 0.106219 ETOT(band)= -0.117077 trlgG= -0.146648 logG= -0.028333 TDE= -0.170878 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054007 ETOT(band)= -0.058398 trlgG= -0.073658 logG= -0.014623 TDE= -0.085760 logGD-logG0= -0.002560 tlogG= -0.011991 logG= -0.014551 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054162 ETOT(band)= -0.058278 trlgG= -0.073537 logG= -0.014551 TDE= -0.085789 logGD-logG0= -0.005147 tlogG= -0.023444 logG= -0.028591 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022184 logG= -0.027139 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108407 ETOT(band)= -0.115395 trlgG= -0.143937 logG= -0.027139 TDE= -0.170443 Density= 0.108179 ETOT(band)= -0.116343 trlgG= -0.146265 logG= -0.028591 TDE= -0.171206 logGD-logG0= -0.005105 tlogG= -0.022997 logG= -0.028102 Density= 0.108183 ETOT(band)= -0.116073 trlgG= -0.145491 logG= -0.028102 TDE= -0.170923 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.024085 logG= -0.029364 Density= 0.107691 ETOT(band)= -0.117030 trlgG= -0.147492 logG= -0.029364 TDE= -0.171418 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.022863 logG= -0.027728 Density= 0.107797 ETOT(band)= -0.116054 trlgG= -0.144906 logG= -0.027728 TDE= -0.170521 logGD-logG0= -0.004994 tlogG= -0.024106 logG= -0.029100 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107428 ETOT(band)= -0.116994 trlgG= -0.147114 logG= -0.029100 TDE= -0.171175 logGD-logG0= -0.005129 tlogG= -0.023619 logG= -0.028748 logGD-logG0= -0.005230 tlogG= -0.023980 logG= -0.029210 Density= 0.107493 ETOT(band)= -0.117015 trlgG= -0.147218 logG= -0.029210 TDE= -0.171200 logGD-logG0= -0.005126 tlogG= -0.023885 logG= -0.029012 Density= 0.108297 ETOT(band)= -0.116516 trlgG= -0.146930 logG= -0.029012 TDE= -0.171510 logGD-logG0= -0.005322 tlogG= -0.024147 logG= -0.029469 Density= 0.108251 ETOT(band)= -0.116390 trlgG= -0.146510 logG= -0.028748 TDE= -0.171330 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004824 tlogG= -0.021004 logG= -0.025828 Density= 0.108758 ETOT(band)= -0.114258 trlgG= -0.141653 logG= -0.025828 TDE= -0.169644 logGD-logG0= -0.005098 tlogG= -0.023230 logG= -0.028328 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107859 ETOT(band)= -0.117026 trlgG= -0.147682 logG= -0.029469 TDE= -0.171587 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108242 ETOT(band)= -0.116167 trlgG= -0.145847 logG= -0.028328 TDE= -0.171082 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004831 tlogG= -0.023701 logG= -0.028532 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107427 ETOT(band)= -0.116684 trlgG= -0.146373 logG= -0.028532 TDE= -0.171001 logGD-logG0= -0.004734 tlogG= -0.023512 logG= -0.028246 Density= 0.106823 ETOT(band)= -0.116770 trlgG= -0.145927 logG= -0.028246 TDE= -0.170543 logGD-logG0= -0.005112 tlogG= -0.022889 logG= -0.028001 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023916 logG= -0.029228 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107665 ETOT(band)= -0.116258 trlgG= -0.145317 logG= -0.028001 TDE= -0.170595 logGD-logG0= -0.005289 tlogG= -0.024101 logG= -0.029390 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107800 ETOT(band)= -0.116897 trlgG= -0.147277 logG= -0.029228 TDE= -0.171394 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107936 ETOT(band)= -0.116939 trlgG= -0.147557 logG= -0.029390 TDE= -0.171578 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.023699 logG= -0.028408 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107024 ETOT(band)= -0.116801 trlgG= -0.146462 logG= -0.028408 TDE= -0.171016 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.022748 logG= -0.027781 Density= 0.108297 ETOT(band)= -0.115837 trlgG= -0.144980 logG= -0.027781 TDE= -0.170790 logGD-logG0= -0.002404 tlogG= -0.010433 logG= -0.012837 Density= 0.054402 ETOT(band)= -0.057056 trlgG= -0.070687 logG= -0.012837 TDE= -0.084771 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023210 logG= -0.028513 Density= 0.107732 ETOT(band)= -0.116507 trlgG= -0.146127 logG= -0.028513 TDE= -0.170925 logGD-logG0= -0.005275 tlogG= -0.023884 logG= -0.029159 Density= 0.107964 ETOT(band)= -0.116765 trlgG= -0.147171 logG= -0.029159 TDE= -0.171438 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.048270 logG= -0.058054 Density= 0.214499 ETOT(band)= -0.234069 trlgG= -0.294354 logG= -0.058054 TDE= -0.342445 logGD-logG0= -0.009106 tlogG= -0.047656 logG= -0.056762 logGD-logG0= -0.005313 tlogG= -0.023593 logG= -0.028906 Density= 0.213025 ETOT(band)= -0.233955 trlgG= -0.292845 logG= -0.056762 TDE= -0.341499 logGD-logG0= -0.005264 tlogG= -0.024072 logG= -0.029337 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107995 ETOT(band)= -0.116872 trlgG= -0.147468 logG= -0.029337 TDE= -0.171573 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107849 ETOT(band)= -0.116669 trlgG= -0.146756 logG= -0.028906 TDE= -0.171219 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009473 tlogG= -0.045787 logG= -0.055260 Density= 0.215118 ETOT(band)= -0.232230 trlgG= -0.289964 logG= -0.055260 TDE= -0.341155 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009423 tlogG= -0.047474 logG= -0.056897 Density= 0.214409 ETOT(band)= -0.233493 trlgG= -0.292909 logG= -0.056897 TDE= -0.342112 logGD-logG0= -0.009649 tlogG= -0.047185 logG= -0.056835 Density= 0.213866 ETOT(band)= -0.233660 trlgG= -0.292776 logG= -0.056835 TDE= -0.341773 logGD-logG0= -0.001258 tlogG= -0.005751 logG= -0.007009 logGD-logG0= -0.009810 tlogG= -0.047181 logG= -0.056991 Density= 0.080673 ETOT(band)= -0.087370 trlgG= -0.109599 logG= -0.007009 TDE= -0.042741 Density= 0.213877 ETOT(band)= -0.233703 trlgG= -0.292568 logG= -0.056991 TDE= -0.341414 logGD-logG0= -0.010506 tlogG= -0.047774 logG= -0.058280 Density= 0.214856 ETOT(band)= -0.233993 trlgG= -0.294188 logG= -0.058280 TDE= -0.342229 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009929 tlogG= -0.047927 logG= -0.057855 Density= 0.214067 ETOT(band)= -0.234105 trlgG= -0.294041 logG= -0.057855 TDE= -0.342116 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 Density= 0.035861 ETOT(band)= -0.038563 trlgG= -0.047902 logG= -0.008999 TDE= -0.056649 logGD-logG0= -0.009535 tlogG= -0.047956 logG= -0.057491 Density= 0.213371 ETOT(band)= -0.234166 trlgG= -0.293490 logG= -0.057491 TDE= -0.341585 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010462 tlogG= -0.048109 logG= -0.058571 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215169 ETOT(band)= -0.234048 trlgG= -0.294700 logG= -0.058571 TDE= -0.342606 logGD-logG0= -0.009858 tlogG= -0.045676 logG= -0.055534 Density= 0.215250 ETOT(band)= -0.232306 trlgG= -0.289956 logG= -0.055534 TDE= -0.340939 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.048008 logG= -0.058317 logGD-logG0= -0.010370 tlogG= -0.047814 logG= -0.058184 Density= 0.214754 ETOT(band)= -0.233987 trlgG= -0.294019 logG= -0.058184 TDE= -0.342105 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215171 ETOT(band)= -0.233903 trlgG= -0.294284 logG= -0.058317 TDE= -0.342444 logGD-logG0= -0.010543 tlogG= -0.048043 logG= -0.058586 Density= 0.215205 ETOT(band)= -0.234039 trlgG= -0.294727 logG= -0.058586 TDE= -0.342636 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.047687 logG= -0.057856 Density= 0.214048 ETOT(band)= -0.234092 trlgG= -0.293793 logG= -0.057856 TDE= -0.341859 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010053 tlogG= -0.048056 logG= -0.058109 Density= 0.214629 ETOT(band)= -0.234016 trlgG= -0.294104 logG= -0.058109 TDE= -0.342204 logGD-logG0= -0.010396 tlogG= -0.047336 logG= -0.057732 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010601 tlogG= -0.047557 logG= -0.058157 Density= 0.215799 ETOT(band)= -0.233497 trlgG= -0.294074 logG= -0.058157 TDE= -0.342705 Density= 0.214361 ETOT(band)= -0.233885 trlgG= -0.293269 logG= -0.057732 TDE= -0.341613 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002464 tlogG= -0.010848 logG= -0.013311 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054088 ETOT(band)= -0.057572 trlgG= -0.071532 logG= -0.013311 TDE= -0.084986 logGD-logG0= -0.010656 tlogG= -0.048174 logG= -0.058830 logGD-logG0= -0.010566 tlogG= -0.047450 logG= -0.058016 logGD-logG0= -0.010527 tlogG= -0.047970 logG= -0.058496 Density= 0.215521 ETOT(band)= -0.234066 trlgG= -0.295165 logG= -0.058830 TDE= -0.342986 Density= 0.215566 ETOT(band)= -0.233537 trlgG= -0.293833 logG= -0.058016 TDE= -0.342490 Density= 0.215994 ETOT(band)= -0.233614 trlgG= -0.294637 logG= -0.058496 TDE= -0.343026 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010170 tlogG= -0.046440 logG= -0.056610 Density= 0.215315 ETOT(band)= -0.232868 trlgG= -0.291589 logG= -0.056610 TDE= -0.341528 logGD-logG0= -0.009751 tlogG= -0.045617 logG= -0.055368 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214464 ETOT(band)= -0.232577 trlgG= -0.290139 logG= -0.055368 TDE= -0.340899 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047918 logG= -0.058499 Density= 0.215866 ETOT(band)= -0.233686 trlgG= -0.294639 logG= -0.058499 TDE= -0.342961 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009779 tlogG= -0.047251 logG= -0.057030 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214576 ETOT(band)= -0.233454 trlgG= -0.292683 logG= -0.057030 TDE= -0.341836 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010608 tlogG= -0.046908 logG= -0.057516 Density= 0.215528 ETOT(band)= -0.233260 trlgG= -0.293033 logG= -0.057516 TDE= -0.342171 logGD-logG0= -0.010081 tlogG= -0.047180 logG= -0.057261 Density= 0.215249 ETOT(band)= -0.233270 trlgG= -0.292606 logG= -0.057261 TDE= -0.341861 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.023970 logG= -0.029042 Density= 0.214439 ETOT(band)= -0.234019 trlgG= -0.293877 logG= -0.029042 TDE= -0.171040 logGD-logG0= -0.004571 tlogG= -0.023985 logG= -0.028556 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212907 ETOT(band)= -0.234190 trlgG= -0.293449 logG= -0.028556 TDE= -0.170808 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023895 logG= -0.028806 Density= 0.213887 ETOT(band)= -0.233932 trlgG= -0.292967 logG= -0.028806 TDE= -0.170769 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.023257 logG= -0.028035 Density= 0.213599 ETOT(band)= -0.233536 trlgG= -0.292187 logG= -0.028035 TDE= -0.170721 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023849 logG= -0.028678 Density= 0.213671 ETOT(band)= -0.234070 trlgG= -0.293704 logG= -0.028678 TDE= -0.171025 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.021889 logG= -0.026880 logGD-logG0= -0.004905 tlogG= -0.021579 logG= -0.026483 Density= 0.108562 ETOT(band)= -0.114845 trlgG= -0.142809 logG= -0.026483 TDE= -0.170047 Density= 0.108372 ETOT(band)= -0.115211 trlgG= -0.143488 logG= -0.026880 TDE= -0.170236 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.021831 logG= -0.026901 logGD-logG0= -0.004734 tlogG= -0.024020 logG= -0.028754 Density= 0.214218 ETOT(band)= -0.234010 trlgG= -0.294095 logG= -0.028754 TDE= -0.171207 Density= 0.107839 ETOT(band)= -0.115497 trlgG= -0.143547 logG= -0.026901 TDE= -0.170010 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005011 tlogG= -0.021708 logG= -0.026719 Density= 0.107982 ETOT(band)= -0.115305 trlgG= -0.143238 logG= -0.026719 TDE= -0.169954 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010018 tlogG= -0.043416 logG= -0.053434 Density= 0.216376 ETOT(band)= -0.230402 trlgG= -0.286454 logG= -0.053434 TDE= -0.340093 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004792 tlogG= -0.022340 logG= -0.027132 Density= 0.215129 ETOT(band)= -0.231881 trlgG= -0.289057 logG= -0.027132 TDE= -0.170231 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004293 tlogG= -0.024143 logG= -0.028436 Density= 0.212271 ETOT(band)= -0.234291 trlgG= -0.293646 logG= -0.028436 TDE= -0.170954 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004427 tlogG= -0.023752 logG= -0.028179 Density= 0.213188 ETOT(band)= -0.233505 trlgG= -0.291725 logG= -0.028179 TDE= -0.170756 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001187 tlogG= -0.005175 logG= -0.006361 Density= 0.062569 ETOT(band)= -0.067523 trlgG= -0.084198 logG= -0.006361 TDE= -0.042354 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004964 tlogG= -0.022917 logG= -0.027881 Density= 0.214898 ETOT(band)= -0.232326 trlgG= -0.289656 logG= -0.027881 TDE= -0.170409 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009400 Density= 0.070900 ETOT(band)= -0.077922 trlgG= -0.097439 logG= -0.009400 TDE= -0.056954 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005859 logG= -0.007131 Density= 0.080685 ETOT(band)= -0.087585 trlgG= -0.110154 logG= -0.007131 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004944 tlogG= -0.022305 logG= -0.027249 Density= 0.214363 ETOT(band)= -0.232365 trlgG= -0.289407 logG= -0.027249 TDE= -0.170144 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005623 logG= -0.006860 Density= 0.080874 ETOT(band)= -0.086942 trlgG= -0.108597 logG= -0.006860 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005943 logG= -0.007219 Density= 0.080868 ETOT(band)= -0.087621 trlgG= -0.110351 logG= -0.007219 TDE= -0.042860 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005987 logG= -0.007262 Density= 0.081097 ETOT(band)= -0.087524 trlgG= -0.110405 logG= -0.007262 TDE= -0.042890 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.024015 logG= -0.029236 Density= 0.215784 ETOT(band)= -0.233786 trlgG= -0.294792 logG= -0.029236 TDE= -0.171555 logGD-logG0= -0.004483 tlogG= -0.023598 logG= -0.028081 Density= 0.212720 ETOT(band)= -0.233911 trlgG= -0.292699 logG= -0.028081 TDE= -0.170671 logGD-logG0= -0.004597 tlogG= -0.023902 logG= -0.028499 Density= 0.213382 ETOT(band)= -0.233782 trlgG= -0.292456 logG= -0.028499 TDE= -0.170760 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001581 tlogG= -0.006879 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042662 trlgG= -0.052794 logG= -0.008460 TDE= -0.056456 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005313 tlogG= -0.024136 logG= -0.029449 Density= 0.215816 ETOT(band)= -0.233942 trlgG= -0.295208 logG= -0.029449 TDE= -0.171587 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007592 logG= -0.009163 Density= 0.071532 ETOT(band)= -0.077322 trlgG= -0.096143 logG= -0.009163 TDE= -0.056730 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023497 logG= -0.028744 logGD-logG0= -0.001692 tlogG= -0.007122 logG= -0.008814 Density= 0.072263 ETOT(band)= -0.076458 trlgG= -0.094833 logG= -0.008814 TDE= -0.056616 Density= 0.215313 ETOT(band)= -0.233256 trlgG= -0.292875 logG= -0.028744 TDE= -0.171145 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024013 logG= -0.029198 logGD-logG0= -0.005254 tlogG= -0.023813 logG= -0.029067 Density= 0.215432 ETOT(band)= -0.233691 trlgG= -0.294138 logG= -0.029067 TDE= -0.171402 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216453 ETOT(band)= -0.233271 trlgG= -0.294318 logG= -0.029198 TDE= -0.171572 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.024019 logG= -0.028786 logGD-logG0= -0.004988 tlogG= -0.021365 logG= -0.026353 Density= 0.217119 ETOT(band)= -0.229115 trlgG= -0.284257 logG= -0.026353 TDE= -0.169873 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.321712 ETOT(band)= -0.350996 trlgG= -0.441288 logG= -0.028786 TDE= -0.171202 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023859 logG= -0.028929 Density= 0.215594 ETOT(band)= -0.233687 trlgG= -0.294241 logG= -0.028929 TDE= -0.171090 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022454 logG= -0.027569 Density= 0.216468 ETOT(band)= -0.231218 trlgG= -0.288576 logG= -0.027569 TDE= -0.170544 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001205 tlogG= -0.005311 logG= -0.006516 Density= 0.081595 ETOT(band)= -0.085664 trlgG= -0.106202 logG= -0.006516 TDE= -0.042456 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.024170 logG= -0.029183 logGD-logG0= -0.005039 tlogG= -0.024176 logG= -0.029214 Density= 0.214839 ETOT(band)= -0.234093 trlgG= -0.294493 logG= -0.029183 TDE= -0.171213 Density= 0.322588 ETOT(band)= -0.351111 trlgG= -0.441966 logG= -0.029214 TDE= -0.171208 logGD-logG0= -0.010398 tlogG= -0.047814 logG= -0.058212 Density= 0.324497 ETOT(band)= -0.349811 trlgG= -0.440976 logG= -0.058212 TDE= -0.342984 logGD-logG0= -0.005178 tlogG= -0.023970 logG= -0.029148 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216487 ETOT(band)= -0.233167 trlgG= -0.294086 logG= -0.029148 TDE= -0.171545 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023381 logG= -0.028060 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321783 ETOT(band)= -0.349948 trlgG= -0.438712 logG= -0.028060 TDE= -0.170877 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023776 logG= -0.028973 Density= 0.216376 ETOT(band)= -0.232969 trlgG= -0.293382 logG= -0.028973 TDE= -0.171404 logGD-logG0= -0.005204 tlogG= -0.023429 logG= -0.028633 Density= 0.216295 ETOT(band)= -0.232589 trlgG= -0.292175 logG= -0.028633 TDE= -0.171166 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.045657 logG= -0.055827 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324192 ETOT(band)= -0.347843 trlgG= -0.434925 logG= -0.055827 TDE= -0.341412 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009674 tlogG= -0.046632 logG= -0.056306 Density= 0.322854 ETOT(band)= -0.348906 trlgG= -0.436356 logG= -0.056306 TDE= -0.341565 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.048068 logG= -0.058749 Density= 0.323394 ETOT(band)= -0.350879 trlgG= -0.442316 logG= -0.058749 TDE= -0.342976 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005361 tlogG= -0.023912 logG= -0.029273 Density= 0.215744 ETOT(band)= -0.233688 trlgG= -0.294520 logG= -0.029273 TDE= -0.171410 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.024098 logG= -0.029342 logGD-logG0= -0.005026 tlogG= -0.023258 logG= -0.028284 Density= 0.323208 ETOT(band)= -0.351086 trlgG= -0.442618 logG= -0.029342 TDE= -0.171400 Density= 0.321851 ETOT(band)= -0.350454 trlgG= -0.439562 logG= -0.028284 TDE= -0.170832 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.046443 logG= -0.056884 Density= 0.324144 ETOT(band)= -0.348787 trlgG= -0.437543 logG= -0.056884 TDE= -0.342035 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010444 tlogG= -0.047263 logG= -0.057708 Density= 0.324279 ETOT(band)= -0.349443 trlgG= -0.439628 logG= -0.057708 TDE= -0.342592 logGD-logG0= -0.004914 tlogG= -0.022485 logG= -0.027399 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215125 ETOT(band)= -0.231591 trlgG= -0.288012 logG= -0.027399 TDE= -0.170157 logGD-logG0= -0.008945 tlogG= -0.048120 logG= -0.057064 Density= 0.425733 ETOT(band)= -0.468179 trlgG= -0.586383 logG= -0.057064 TDE= -0.341732 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.022982 logG= -0.028158 Density= 0.216323 ETOT(band)= -0.232016 trlgG= -0.290561 logG= -0.028158 TDE= -0.170879 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023971 logG= -0.029317 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023698 logG= -0.029107 logGD-logG0= -0.005165 tlogG= -0.023208 logG= -0.028372 Density= 0.214968 ETOT(band)= -0.232881 trlgG= -0.291186 logG= -0.028372 TDE= -0.170595 Density= 0.323808 ETOT(band)= -0.350552 trlgG= -0.442061 logG= -0.029317 TDE= -0.171459 Density= 0.215506 ETOT(band)= -0.233540 trlgG= -0.293821 logG= -0.029107 TDE= -0.171233 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023384 logG= -0.028031 Density= 0.214282 ETOT(band)= -0.233297 trlgG= -0.292302 logG= -0.028031 TDE= -0.170885 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010133 tlogG= -0.048175 logG= -0.058308 logGD-logG0= -0.005430 tlogG= -0.023369 logG= -0.028799 Density= 0.429497 ETOT(band)= -0.468119 trlgG= -0.588547 logG= -0.058308 TDE= -0.342267 Density= 0.215206 ETOT(band)= -0.233281 trlgG= -0.292681 logG= -0.028799 TDE= -0.170939 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010242 tlogG= -0.047695 logG= -0.057937 logGD-logG0= -0.010301 tlogG= -0.047983 logG= -0.058285 Density= 0.429400 ETOT(band)= -0.468080 trlgG= -0.588191 logG= -0.058285 TDE= -0.342105 logGD-logG0= -0.009629 tlogG= -0.047865 logG= -0.057494 Density= 0.428488 ETOT(band)= -0.467987 trlgG= -0.587106 logG= -0.057937 TDE= -0.341860 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428233 ETOT(band)= -0.468003 trlgG= -0.587774 logG= -0.057494 TDE= -0.342220 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.047757 logG= -0.058403 logGD-logG0= -0.010749 tlogG= -0.047720 logG= -0.058469 Density= 0.430947 ETOT(band)= -0.467382 trlgG= -0.588277 logG= -0.058403 TDE= -0.342622 Density= 0.431288 ETOT(band)= -0.467326 trlgG= -0.588637 logG= -0.058469 TDE= -0.342729 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009493 tlogG= -0.046633 logG= -0.056126 Density= 0.428296 ETOT(band)= -0.466700 trlgG= -0.584381 logG= -0.056126 TDE= -0.341589 logGD-logG0= -0.004906 tlogG= -0.021316 logG= -0.026221 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162722 ETOT(band)= -0.172937 trlgG= -0.215898 logG= -0.026221 TDE= -0.169860 logGD-logG0= -0.010266 tlogG= -0.048249 logG= -0.058515 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430232 ETOT(band)= -0.468126 trlgG= -0.589316 logG= -0.058515 TDE= -0.342480 logGD-logG0= -0.010477 tlogG= -0.048098 logG= -0.058575 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430339 ETOT(band)= -0.467957 trlgG= -0.588988 logG= -0.058575 TDE= -0.342605 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047795 logG= -0.057385 Density= 0.427374 ETOT(band)= -0.467762 trlgG= -0.585756 logG= -0.057385 TDE= -0.341452 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.046427 logG= -0.056348 Density= 0.429731 ETOT(band)= -0.465412 trlgG= -0.581454 logG= -0.056348 TDE= -0.341285 logGD-logG0= -0.009806 tlogG= -0.047880 logG= -0.057686 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429331 ETOT(band)= -0.467783 trlgG= -0.587752 logG= -0.057686 TDE= -0.342207 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009637 tlogG= -0.047676 logG= -0.057312 Density= 0.426869 ETOT(band)= -0.468211 trlgG= -0.586903 logG= -0.057312 TDE= -0.341750 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.048046 logG= -0.058719 logGD-logG0= -0.009985 tlogG= -0.047586 logG= -0.057571 logGD-logG0= -0.010306 tlogG= -0.046958 logG= -0.057263 Density= 0.431528 ETOT(band)= -0.467610 trlgG= -0.589631 logG= -0.058719 TDE= -0.342994 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430077 ETOT(band)= -0.466329 trlgG= -0.584151 logG= -0.057263 TDE= -0.341574 Density= 0.428804 ETOT(band)= -0.467333 trlgG= -0.586148 logG= -0.057571 TDE= -0.341905 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047597 logG= -0.057827 Density= 0.430206 ETOT(band)= -0.466976 trlgG= -0.586081 logG= -0.057827 TDE= -0.342019 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010704 tlogG= -0.047296 logG= -0.058000 Density= 0.430678 ETOT(band)= -0.466957 trlgG= -0.586805 logG= -0.058000 TDE= -0.342238 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.046737 logG= -0.056175 Density= 0.428095 ETOT(band)= -0.465976 trlgG= -0.581772 logG= -0.056175 TDE= -0.341173 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005472 logG= -0.006696 Density= 0.081237 ETOT(band)= -0.086330 trlgG= -0.107360 logG= -0.006696 TDE= -0.042567 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004832 tlogG= -0.022341 logG= -0.027173 Density= 0.323022 ETOT(band)= -0.347875 trlgG= -0.433966 logG= -0.027173 TDE= -0.170226 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.021894 logG= -0.026971 Density= 0.216724 ETOT(band)= -0.230221 trlgG= -0.286460 logG= -0.026971 TDE= -0.170205 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009963 tlogG= -0.044649 logG= -0.054612 Density= 0.324435 ETOT(band)= -0.346574 trlgG= -0.431915 logG= -0.054612 TDE= -0.340734 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004947 tlogG= -0.021220 logG= -0.026167 Density= 0.216446 ETOT(band)= -0.229972 trlgG= -0.285511 logG= -0.026167 TDE= -0.169779 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009810 tlogG= -0.044651 logG= -0.054461 Density= 0.431807 ETOT(band)= -0.461945 trlgG= -0.574679 logG= -0.054461 TDE= -0.340370 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.718809405936 eV TrLogG= -407.291910335216 eV Ratio to renormalize= 0.999571333771 rho-rho_expected= 0.009434701370 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964603720141002 0.940288886937759 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011454 logG= -0.013787 Density= 0.053761 ETOT(band)= -0.058050 trlgG= -0.072489 logG= -0.013787 TDE= -0.085306 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.024058 logG= -0.028601 Density= 0.106437 ETOT(band)= -0.117109 trlgG= -0.146770 logG= -0.028601 TDE= -0.170840 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023681 logG= -0.028359 Density= 0.106647 ETOT(band)= -0.116916 trlgG= -0.146355 logG= -0.028359 TDE= -0.170770 logGD-logG0= -0.005112 tlogG= -0.022888 logG= -0.028000 logGD-logG0= -0.005033 tlogG= -0.022748 logG= -0.027781 Density= 0.108296 ETOT(band)= -0.115837 trlgG= -0.144980 logG= -0.027781 TDE= -0.170789 Density= 0.107665 ETOT(band)= -0.116258 trlgG= -0.145316 logG= -0.028000 TDE= -0.170594 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.023905 logG= -0.028808 Density= 0.106806 ETOT(band)= -0.117071 trlgG= -0.146883 logG= -0.028808 TDE= -0.170927 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023210 logG= -0.028512 Density= 0.107732 ETOT(band)= -0.116506 trlgG= -0.146126 logG= -0.028512 TDE= -0.170925 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002464 tlogG= -0.010847 logG= -0.013311 Density= 0.054088 ETOT(band)= -0.057572 trlgG= -0.071532 logG= -0.013311 TDE= -0.084986 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 Density= 0.035329 ETOT(band)= -0.039061 trlgG= -0.048962 logG= -0.009452 TDE= -0.056993 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001486 tlogG= -0.007815 logG= -0.009301 Density= 0.035509 ETOT(band)= -0.038910 trlgG= -0.048598 logG= -0.009301 TDE= -0.056869 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012039 logG= -0.014641 Density= 0.053787 ETOT(band)= -0.058514 trlgG= -0.073672 logG= -0.014641 TDE= -0.085648 logGD-logG0= -0.002420 tlogG= -0.012088 logG= -0.014509 Density= 0.053608 ETOT(band)= -0.058525 trlgG= -0.073615 logG= -0.014509 TDE= -0.085635 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004622 tlogG= -0.023217 logG= -0.027839 Density= 0.106787 ETOT(band)= -0.116578 trlgG= -0.145442 logG= -0.027839 TDE= -0.170446 logGD-logG0= -0.004709 tlogG= -0.023001 logG= -0.027710 Density= 0.106923 ETOT(band)= -0.116448 trlgG= -0.145179 logG= -0.027710 TDE= -0.170380 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.023512 logG= -0.028246 Density= 0.106823 ETOT(band)= -0.116770 trlgG= -0.145927 logG= -0.028246 TDE= -0.170542 logGD-logG0= -0.002325 tlogG= -0.011890 logG= -0.014215 Density= 0.053586 ETOT(band)= -0.058381 trlgG= -0.073253 logG= -0.014215 TDE= -0.085555 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022996 logG= -0.028102 Density= 0.108183 ETOT(band)= -0.116072 trlgG= -0.145490 logG= -0.028102 TDE= -0.170923 logGD-logG0= -0.002560 tlogG= -0.011991 logG= -0.014550 Density= 0.054162 ETOT(band)= -0.058278 trlgG= -0.073537 logG= -0.014550 TDE= -0.085788 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023444 logG= -0.028591 logGD-logG0= -0.005152 tlogG= -0.023777 logG= -0.028929 Density= 0.108226 ETOT(band)= -0.116504 trlgG= -0.146800 logG= -0.028929 TDE= -0.171426 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.116342 trlgG= -0.146264 logG= -0.028591 TDE= -0.171205 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023964 logG= -0.029103 Density= 0.108277 ETOT(band)= -0.116579 trlgG= -0.147078 logG= -0.029103 TDE= -0.171556 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.024084 logG= -0.029364 logGD-logG0= -0.004346 tlogG= -0.023986 logG= -0.028332 Density= 0.106219 ETOT(band)= -0.117076 trlgG= -0.146647 logG= -0.028332 TDE= -0.170877 Density= 0.107691 ETOT(band)= -0.117030 trlgG= -0.147491 logG= -0.029364 TDE= -0.171418 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022184 logG= -0.027139 logGD-logG0= -0.005038 tlogG= -0.022471 logG= -0.027509 Density= 0.108251 ETOT(band)= -0.115700 trlgG= -0.144543 logG= -0.027509 TDE= -0.170603 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108407 ETOT(band)= -0.115394 trlgG= -0.143936 logG= -0.027139 TDE= -0.170442 logGD-logG0= -0.004865 tlogG= -0.022863 logG= -0.027728 Density= 0.107797 ETOT(band)= -0.116054 trlgG= -0.144905 logG= -0.027728 TDE= -0.170521 logGD-logG0= -0.004319 tlogG= -0.024063 logG= -0.028382 Density= 0.106167 ETOT(band)= -0.117120 trlgG= -0.146760 logG= -0.028382 TDE= -0.170915 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023697 logG= -0.028983 logGD-logG0= -0.005126 tlogG= -0.023885 logG= -0.029011 Density= 0.108297 ETOT(band)= -0.116515 trlgG= -0.146930 logG= -0.029011 TDE= -0.171509 logGD-logG0= -0.004994 tlogG= -0.024106 logG= -0.029099 Density= 0.107427 ETOT(band)= -0.116994 trlgG= -0.147114 logG= -0.029099 TDE= -0.171175 Density= 0.107280 ETOT(band)= -0.116962 trlgG= -0.146821 logG= -0.028983 TDE= -0.170925 logGD-logG0= -0.005098 tlogG= -0.023230 logG= -0.028328 logGD-logG0= -0.004998 tlogG= -0.023656 logG= -0.028653 Density= 0.107027 ETOT(band)= -0.116889 trlgG= -0.146270 logG= -0.028653 TDE= -0.170579 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023916 logG= -0.029228 Density= 0.107800 ETOT(band)= -0.116896 trlgG= -0.147276 logG= -0.029228 TDE= -0.171393 Density= 0.108242 ETOT(band)= -0.116166 trlgG= -0.145846 logG= -0.028328 TDE= -0.171082 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002628 tlogG= -0.011994 logG= -0.014623 Density= 0.054007 ETOT(band)= -0.058398 trlgG= -0.073657 logG= -0.014623 TDE= -0.085760 logGD-logG0= -0.005322 tlogG= -0.024147 logG= -0.029469 logGD-logG0= -0.005014 tlogG= -0.022421 logG= -0.027435 Density= 0.107684 ETOT(band)= -0.115924 trlgG= -0.144420 logG= -0.027435 TDE= -0.170273 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023980 logG= -0.029210 Density= 0.107859 ETOT(band)= -0.117026 trlgG= -0.147681 logG= -0.029469 TDE= -0.171586 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.024100 logG= -0.029390 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107936 ETOT(band)= -0.116938 trlgG= -0.147556 logG= -0.029390 TDE= -0.171578 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023619 logG= -0.028748 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108251 ETOT(band)= -0.116389 trlgG= -0.146509 logG= -0.028748 TDE= -0.171329 Density= 0.107493 ETOT(band)= -0.117015 trlgG= -0.147217 logG= -0.029210 TDE= -0.171200 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.024082 logG= -0.028962 Density= 0.107105 ETOT(band)= -0.117054 trlgG= -0.147138 logG= -0.028962 TDE= -0.171177 logGD-logG0= -0.004708 tlogG= -0.023699 logG= -0.028407 Density= 0.107024 ETOT(band)= -0.116801 trlgG= -0.146461 logG= -0.028407 TDE= -0.171015 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023884 logG= -0.029159 logGD-logG0= -0.004741 tlogG= -0.022865 logG= -0.027606 Density= 0.107964 ETOT(band)= -0.116765 trlgG= -0.147171 logG= -0.029159 TDE= -0.171437 logGD-logG0= -0.005264 tlogG= -0.024072 logG= -0.029336 Density= 0.107347 ETOT(band)= -0.116197 trlgG= -0.145030 logG= -0.027606 TDE= -0.170544 Density= 0.107995 ETOT(band)= -0.116871 trlgG= -0.147467 logG= -0.029336 TDE= -0.171572 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.023701 logG= -0.028532 Density= 0.107427 ETOT(band)= -0.116683 trlgG= -0.146372 logG= -0.028532 TDE= -0.171001 logGD-logG0= -0.002404 tlogG= -0.010433 logG= -0.012837 Density= 0.054402 ETOT(band)= -0.057056 trlgG= -0.070686 logG= -0.012837 TDE= -0.084770 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.048270 logG= -0.058053 logGD-logG0= -0.009473 tlogG= -0.045786 logG= -0.055260 Density= 0.215117 ETOT(band)= -0.232229 trlgG= -0.289962 logG= -0.055260 TDE= -0.341154 Density= 0.214498 ETOT(band)= -0.234067 trlgG= -0.294352 logG= -0.058053 TDE= -0.342443 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009106 tlogG= -0.047655 logG= -0.056761 Density= 0.213025 ETOT(band)= -0.233954 trlgG= -0.292843 logG= -0.056761 TDE= -0.341497 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009929 tlogG= -0.047926 logG= -0.057855 Density= 0.214067 ETOT(band)= -0.234104 trlgG= -0.294039 logG= -0.057855 TDE= -0.342115 logGD-logG0= -0.009751 tlogG= -0.045616 logG= -0.055367 logGD-logG0= -0.009649 tlogG= -0.047185 logG= -0.056834 Density= 0.214464 ETOT(band)= -0.232576 trlgG= -0.290137 logG= -0.055367 TDE= -0.340898 Density= 0.213865 ETOT(band)= -0.233658 trlgG= -0.292774 logG= -0.056834 TDE= -0.341772 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047180 logG= -0.056990 Density= 0.213877 ETOT(band)= -0.233702 trlgG= -0.292566 logG= -0.056990 TDE= -0.341413 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010506 tlogG= -0.047773 logG= -0.058280 Density= 0.214855 ETOT(band)= -0.233992 trlgG= -0.294186 logG= -0.058280 TDE= -0.342228 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009535 tlogG= -0.047956 logG= -0.057491 Density= 0.213371 ETOT(band)= -0.234165 trlgG= -0.293488 logG= -0.057491 TDE= -0.341584 logGD-logG0= -0.009423 tlogG= -0.047473 logG= -0.056896 Density= 0.214409 ETOT(band)= -0.233492 trlgG= -0.292907 logG= -0.056896 TDE= -0.342111 logGD-logG0= -0.004905 tlogG= -0.021579 logG= -0.026483 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108562 ETOT(band)= -0.114845 trlgG= -0.142808 logG= -0.026483 TDE= -0.170047 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 logGD-logG0= -0.010310 tlogG= -0.048007 logG= -0.058317 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035861 ETOT(band)= -0.038563 trlgG= -0.047902 logG= -0.008999 TDE= -0.056649 logGD-logG0= -0.009858 tlogG= -0.045676 logG= -0.055533 Density= 0.215250 ETOT(band)= -0.232304 trlgG= -0.289955 logG= -0.055533 TDE= -0.340938 logGD-logG0= -0.004825 tlogG= -0.021003 logG= -0.025828 Density= 0.108758 ETOT(band)= -0.114257 trlgG= -0.141652 logG= -0.025828 TDE= -0.169643 logGD-logG0= -0.010462 tlogG= -0.048108 logG= -0.058570 Density= 0.215169 ETOT(band)= -0.234047 trlgG= -0.294698 logG= -0.058570 TDE= -0.342604 logGD-logG0= -0.010053 tlogG= -0.048055 logG= -0.058109 Density= 0.214629 ETOT(band)= -0.234015 trlgG= -0.294102 logG= -0.058109 TDE= -0.342203 Density= 0.215171 ETOT(band)= -0.233902 trlgG= -0.294282 logG= -0.058317 TDE= -0.342442 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010543 tlogG= -0.048042 logG= -0.058585 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215205 ETOT(band)= -0.234038 trlgG= -0.294725 logG= -0.058585 TDE= -0.342635 logGD-logG0= -0.010370 tlogG= -0.047813 logG= -0.058184 Density= 0.214754 ETOT(band)= -0.233986 trlgG= -0.294017 logG= -0.058184 TDE= -0.342104 logGD-logG0= -0.005313 tlogG= -0.023593 logG= -0.028906 logGD-logG0= -0.010601 tlogG= -0.047556 logG= -0.058157 Density= 0.107849 ETOT(band)= -0.116668 trlgG= -0.146755 logG= -0.028906 TDE= -0.171218 Density= 0.215798 ETOT(band)= -0.233496 trlgG= -0.294072 logG= -0.058157 TDE= -0.342703 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 Density= 0.036212 ETOT(band)= -0.038115 trlgG= -0.047243 logG= -0.008621 TDE= -0.056541 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.047686 logG= -0.057855 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214048 ETOT(band)= -0.234091 trlgG= -0.293791 logG= -0.057855 TDE= -0.341857 logGD-logG0= -0.010656 tlogG= -0.048173 logG= -0.058829 Density= 0.215521 ETOT(band)= -0.234065 trlgG= -0.295164 logG= -0.058829 TDE= -0.342985 logGD-logG0= -0.010527 tlogG= -0.047969 logG= -0.058495 logGD-logG0= -0.010396 tlogG= -0.047335 logG= -0.057732 Density= 0.214361 ETOT(band)= -0.233884 trlgG= -0.293267 logG= -0.057732 TDE= -0.341612 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215994 ETOT(band)= -0.233613 trlgG= -0.294635 logG= -0.058495 TDE= -0.343024 logGD-logG0= -0.010566 tlogG= -0.047450 logG= -0.058015 Density= 0.215566 ETOT(band)= -0.233536 trlgG= -0.293831 logG= -0.058015 TDE= -0.342489 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.046439 logG= -0.056609 logGD-logG0= -0.010581 tlogG= -0.047917 logG= -0.058498 Density= 0.215315 ETOT(band)= -0.232867 trlgG= -0.291588 logG= -0.056609 TDE= -0.341527 Density= 0.215866 ETOT(band)= -0.233685 trlgG= -0.294637 logG= -0.058498 TDE= -0.342960 logGD-logG0= -0.001237 tlogG= -0.005623 logG= -0.006860 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080874 ETOT(band)= -0.086941 trlgG= -0.108596 logG= -0.006860 TDE= -0.042664 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010608 tlogG= -0.046907 logG= -0.057515 Density= 0.215528 ETOT(band)= -0.233259 trlgG= -0.293031 logG= -0.057515 TDE= -0.342170 logGD-logG0= -0.009779 tlogG= -0.047250 logG= -0.057029 Density= 0.214575 ETOT(band)= -0.233453 trlgG= -0.292681 logG= -0.057029 TDE= -0.341834 logGD-logG0= -0.005070 tlogG= -0.021831 logG= -0.026901 Density= 0.107839 ETOT(band)= -0.115497 trlgG= -0.143546 logG= -0.026901 TDE= -0.170009 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010081 tlogG= -0.047179 logG= -0.057260 Density= 0.215249 ETOT(band)= -0.233269 trlgG= -0.292604 logG= -0.057260 TDE= -0.341860 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.021889 logG= -0.026879 Density= 0.108371 ETOT(band)= -0.115210 trlgG= -0.143487 logG= -0.026879 TDE= -0.170235 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005176 tlogG= -0.022982 logG= -0.028158 Density= 0.216323 ETOT(band)= -0.232014 trlgG= -0.290559 logG= -0.028158 TDE= -0.170878 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.023257 logG= -0.028034 Density= 0.213599 ETOT(band)= -0.233535 trlgG= -0.292185 logG= -0.028034 TDE= -0.170721 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023849 logG= -0.028677 Density= 0.213671 ETOT(band)= -0.234069 trlgG= -0.293702 logG= -0.028677 TDE= -0.171025 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023207 logG= -0.028372 Density= 0.214968 ETOT(band)= -0.232880 trlgG= -0.291184 logG= -0.028372 TDE= -0.170595 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.023984 logG= -0.028555 Density= 0.212907 ETOT(band)= -0.234189 trlgG= -0.293447 logG= -0.028555 TDE= -0.170808 logGD-logG0= -0.005430 tlogG= -0.023368 logG= -0.028798 Density= 0.215206 ETOT(band)= -0.233280 trlgG= -0.292679 logG= -0.028798 TDE= -0.170939 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010018 tlogG= -0.043416 logG= -0.053433 logGD-logG0= -0.005011 tlogG= -0.021707 logG= -0.026719 Density= 0.107982 ETOT(band)= -0.115305 trlgG= -0.143237 logG= -0.026719 TDE= -0.169953 Density= 0.216376 ETOT(band)= -0.230401 trlgG= -0.286452 logG= -0.053433 TDE= -0.340092 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001224 tlogG= -0.005472 logG= -0.006696 Density= 0.081237 ETOT(band)= -0.086330 trlgG= -0.107360 logG= -0.006696 TDE= -0.042567 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004427 tlogG= -0.023751 logG= -0.028179 logGD-logG0= -0.004597 tlogG= -0.023902 logG= -0.028499 Density= 0.213382 ETOT(band)= -0.233781 trlgG= -0.292454 logG= -0.028499 TDE= -0.170760 Density= 0.213188 ETOT(band)= -0.233504 trlgG= -0.291723 logG= -0.028179 TDE= -0.170756 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 Density= 0.080868 ETOT(band)= -0.087620 trlgG= -0.110351 logG= -0.007219 TDE= -0.042860 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009400 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070900 ETOT(band)= -0.077922 trlgG= -0.097439 logG= -0.009400 TDE= -0.056954 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005859 logG= -0.007131 Density= 0.080685 ETOT(band)= -0.087585 trlgG= -0.110153 logG= -0.007131 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001187 tlogG= -0.005175 logG= -0.006361 Density= 0.062569 ETOT(band)= -0.067523 trlgG= -0.084198 logG= -0.006361 TDE= -0.042354 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001258 tlogG= -0.005751 logG= -0.007009 Density= 0.080672 ETOT(band)= -0.087370 trlgG= -0.109599 logG= -0.007009 TDE= -0.042741 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004293 tlogG= -0.024143 logG= -0.028436 Density= 0.212271 ETOT(band)= -0.234290 trlgG= -0.293644 logG= -0.028436 TDE= -0.170953 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.023598 logG= -0.028081 logGD-logG0= -0.001581 tlogG= -0.006879 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042662 trlgG= -0.052794 logG= -0.008460 TDE= -0.056455 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212719 ETOT(band)= -0.233910 trlgG= -0.292697 logG= -0.028081 TDE= -0.170671 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005987 logG= -0.007262 Density= 0.081097 ETOT(band)= -0.087524 trlgG= -0.110404 logG= -0.007262 TDE= -0.042890 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.024097 logG= -0.029341 Density= 0.323208 ETOT(band)= -0.351084 trlgG= -0.442615 logG= -0.029341 TDE= -0.171399 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.022917 logG= -0.027881 Density= 0.214898 ETOT(band)= -0.232325 trlgG= -0.289654 logG= -0.027881 TDE= -0.170408 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023813 logG= -0.029067 Density= 0.215432 ETOT(band)= -0.233690 trlgG= -0.294136 logG= -0.029067 TDE= -0.171401 logGD-logG0= -0.004944 tlogG= -0.022305 logG= -0.027249 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214363 ETOT(band)= -0.232364 trlgG= -0.289405 logG= -0.027249 TDE= -0.170144 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001571 tlogG= -0.007592 logG= -0.009163 Density= 0.071531 ETOT(band)= -0.077322 trlgG= -0.096143 logG= -0.009163 TDE= -0.056729 logGD-logG0= -0.005185 tlogG= -0.024013 logG= -0.029198 logGD-logG0= -0.005221 tlogG= -0.024015 logG= -0.029235 Density= 0.215784 ETOT(band)= -0.233785 trlgG= -0.294791 logG= -0.029235 TDE= -0.171554 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216453 ETOT(band)= -0.233270 trlgG= -0.294317 logG= -0.029198 TDE= -0.171572 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023858 logG= -0.028928 logGD-logG0= -0.004913 tlogG= -0.022485 logG= -0.027398 Density= 0.215125 ETOT(band)= -0.231590 trlgG= -0.288011 logG= -0.027398 TDE= -0.170157 Density= 0.215593 ETOT(band)= -0.233686 trlgG= -0.294240 logG= -0.028928 TDE= -0.171089 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.024019 logG= -0.028786 Density= 0.321712 ETOT(band)= -0.350994 trlgG= -0.441285 logG= -0.028786 TDE= -0.171202 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023496 logG= -0.028744 Density= 0.215313 ETOT(band)= -0.233255 trlgG= -0.292873 logG= -0.028744 TDE= -0.171144 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.023970 logG= -0.029042 logGD-logG0= -0.005313 tlogG= -0.024135 logG= -0.029449 Density= 0.215816 ETOT(band)= -0.233941 trlgG= -0.295206 logG= -0.029449 TDE= -0.171586 logGD-logG0= -0.005115 tlogG= -0.022453 logG= -0.027568 Density= 0.216468 ETOT(band)= -0.231217 trlgG= -0.288574 logG= -0.027568 TDE= -0.170544 logGD-logG0= -0.010398 tlogG= -0.047813 logG= -0.058212 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023970 logG= -0.029148 Density= 0.324497 ETOT(band)= -0.349809 trlgG= -0.440973 logG= -0.058212 TDE= -0.342983 Density= 0.214438 ETOT(band)= -0.234018 trlgG= -0.293875 logG= -0.029042 TDE= -0.171040 logGD-logG0= -0.001205 tlogG= -0.005311 logG= -0.006515 Density= 0.081594 ETOT(band)= -0.085663 trlgG= -0.106201 logG= -0.006515 TDE= -0.042456 Density= 0.216486 ETOT(band)= -0.233166 trlgG= -0.294084 logG= -0.029148 TDE= -0.171545 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023429 logG= -0.028633 logGD-logG0= -0.004911 tlogG= -0.023895 logG= -0.028806 Density= 0.213887 ETOT(band)= -0.233930 trlgG= -0.292965 logG= -0.028806 TDE= -0.170769 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216295 ETOT(band)= -0.232588 trlgG= -0.292173 logG= -0.028633 TDE= -0.171165 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.024175 logG= -0.029214 Density= 0.322587 ETOT(band)= -0.351110 trlgG= -0.441964 logG= -0.029214 TDE= -0.171208 logGD-logG0= -0.010444 tlogG= -0.047263 logG= -0.057707 Density= 0.324279 ETOT(band)= -0.349441 trlgG= -0.439625 logG= -0.057707 TDE= -0.342591 logGD-logG0= -0.010681 tlogG= -0.048067 logG= -0.058748 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323393 ETOT(band)= -0.350877 trlgG= -0.442313 logG= -0.058748 TDE= -0.342975 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.024170 logG= -0.029183 logGD-logG0= -0.005361 tlogG= -0.023911 logG= -0.029273 Density= 0.215744 ETOT(band)= -0.233687 trlgG= -0.294518 logG= -0.029273 TDE= -0.171410 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010442 tlogG= -0.046442 logG= -0.056884 Density= 0.214839 ETOT(band)= -0.234092 trlgG= -0.294491 logG= -0.029183 TDE= -0.171213 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324143 ETOT(band)= -0.348785 trlgG= -0.437540 logG= -0.056884 TDE= -0.342034 logGD-logG0= -0.009674 tlogG= -0.046631 logG= -0.056305 Density= 0.322854 ETOT(band)= -0.348904 trlgG= -0.436353 logG= -0.056305 TDE= -0.341563 logGD-logG0= -0.004679 tlogG= -0.023380 logG= -0.028059 logGD-logG0= -0.010170 tlogG= -0.045657 logG= -0.055826 Density= 0.324192 ETOT(band)= -0.347842 trlgG= -0.434922 logG= -0.055826 TDE= -0.341410 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321783 ETOT(band)= -0.349947 trlgG= -0.438709 logG= -0.028059 TDE= -0.170877 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024019 logG= -0.028753 Density= 0.214218 ETOT(band)= -0.234009 trlgG= -0.294093 logG= -0.028753 TDE= -0.171207 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023258 logG= -0.028283 Density= 0.321850 ETOT(band)= -0.350452 trlgG= -0.439559 logG= -0.028283 TDE= -0.170831 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023776 logG= -0.028973 Density= 0.216376 ETOT(band)= -0.232968 trlgG= -0.293380 logG= -0.028973 TDE= -0.171404 logGD-logG0= -0.005077 tlogG= -0.021894 logG= -0.026970 Density= 0.216724 ETOT(band)= -0.230220 trlgG= -0.286458 logG= -0.026970 TDE= -0.170204 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005346 tlogG= -0.023971 logG= -0.029317 Density= 0.323808 ETOT(band)= -0.350551 trlgG= -0.442058 logG= -0.029317 TDE= -0.171458 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009629 tlogG= -0.047865 logG= -0.057494 Density= 0.428233 ETOT(band)= -0.468001 trlgG= -0.587771 logG= -0.057494 TDE= -0.342218 logGD-logG0= -0.004988 tlogG= -0.021365 logG= -0.026353 Density= 0.217118 ETOT(band)= -0.229113 trlgG= -0.284255 logG= -0.026353 TDE= -0.169872 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004647 tlogG= -0.023383 logG= -0.028030 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214282 ETOT(band)= -0.233296 trlgG= -0.292300 logG= -0.028030 TDE= -0.170885 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008944 tlogG= -0.048119 logG= -0.057064 Density= 0.425733 ETOT(band)= -0.468177 trlgG= -0.586380 logG= -0.057064 TDE= -0.341731 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010133 tlogG= -0.048174 logG= -0.058307 Density= 0.429497 ETOT(band)= -0.468117 trlgG= -0.588543 logG= -0.058307 TDE= -0.342265 logGD-logG0= -0.009438 tlogG= -0.046737 logG= -0.056174 Density= 0.428094 ETOT(band)= -0.465973 trlgG= -0.581769 logG= -0.056174 TDE= -0.341171 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007121 logG= -0.008814 Density= 0.072263 ETOT(band)= -0.076457 trlgG= -0.094832 logG= -0.008814 TDE= -0.056616 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004906 tlogG= -0.021315 logG= -0.026221 logGD-logG0= -0.010749 tlogG= -0.047720 logG= -0.058468 Density= 0.162722 ETOT(band)= -0.172937 trlgG= -0.215896 logG= -0.026221 TDE= -0.169859 logGD-logG0= -0.009493 tlogG= -0.046633 logG= -0.056126 Density= 0.428295 ETOT(band)= -0.466698 trlgG= -0.584377 logG= -0.056126 TDE= -0.341588 logGD-logG0= -0.009806 tlogG= -0.047879 logG= -0.057685 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010301 tlogG= -0.047983 logG= -0.058284 Density= 0.431288 ETOT(band)= -0.467324 trlgG= -0.588633 logG= -0.058468 TDE= -0.342728 Density= 0.429400 ETOT(band)= -0.468078 trlgG= -0.588187 logG= -0.058284 TDE= -0.342104 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429331 ETOT(band)= -0.467781 trlgG= -0.587748 logG= -0.057685 TDE= -0.342206 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010242 tlogG= -0.047694 logG= -0.057936 Density= 0.428488 ETOT(band)= -0.467984 trlgG= -0.587102 logG= -0.057936 TDE= -0.341859 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.047756 logG= -0.058402 logGD-logG0= -0.009590 tlogG= -0.047794 logG= -0.057385 Density= 0.427374 ETOT(band)= -0.467760 trlgG= -0.585753 logG= -0.057385 TDE= -0.341451 logGD-logG0= -0.010266 tlogG= -0.048248 logG= -0.058514 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430946 ETOT(band)= -0.467380 trlgG= -0.588273 logG= -0.058402 TDE= -0.342621 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430232 ETOT(band)= -0.468124 trlgG= -0.589312 logG= -0.058514 TDE= -0.342478 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010477 tlogG= -0.048098 logG= -0.058574 logGD-logG0= -0.009637 tlogG= -0.047675 logG= -0.057312 Density= 0.426869 ETOT(band)= -0.468208 trlgG= -0.586899 logG= -0.057312 TDE= -0.341749 Density= 0.430338 ETOT(band)= -0.467955 trlgG= -0.588985 logG= -0.058574 TDE= -0.342604 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.046426 logG= -0.056348 Density= 0.429731 ETOT(band)= -0.465409 trlgG= -0.581450 logG= -0.056348 TDE= -0.341284 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.048045 logG= -0.058718 Density= 0.431528 ETOT(band)= -0.467608 trlgG= -0.589627 logG= -0.058718 TDE= -0.342993 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010306 tlogG= -0.046957 logG= -0.057262 logGD-logG0= -0.009985 tlogG= -0.047585 logG= -0.057570 Density= 0.428804 ETOT(band)= -0.467331 trlgG= -0.586144 logG= -0.057570 TDE= -0.341904 logGD-logG0= -0.004832 tlogG= -0.022340 logG= -0.027172 Density= 0.430077 ETOT(band)= -0.466326 trlgG= -0.584147 logG= -0.057262 TDE= -0.341572 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323022 ETOT(band)= -0.347873 trlgG= -0.433963 logG= -0.027172 TDE= -0.170225 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010704 tlogG= -0.047295 logG= -0.058000 Density= 0.430677 ETOT(band)= -0.466954 trlgG= -0.586801 logG= -0.058000 TDE= -0.342237 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047597 logG= -0.057826 Density= 0.430205 ETOT(band)= -0.466974 trlgG= -0.586077 logG= -0.057826 TDE= -0.342017 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023697 logG= -0.029107 Density= 0.215506 ETOT(band)= -0.233539 trlgG= -0.293820 logG= -0.029107 TDE= -0.171232 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.044648 logG= -0.054611 Density= 0.324434 ETOT(band)= -0.346573 trlgG= -0.431912 logG= -0.054611 TDE= -0.340733 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.022340 logG= -0.027131 Density= 0.215129 ETOT(band)= -0.231880 trlgG= -0.289056 logG= -0.027131 TDE= -0.170230 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004947 tlogG= -0.021220 logG= -0.026167 Density= 0.216446 ETOT(band)= -0.229971 trlgG= -0.285509 logG= -0.026167 TDE= -0.169779 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009810 tlogG= -0.044651 logG= -0.054460 Density= 0.431807 ETOT(band)= -0.461943 trlgG= -0.574675 logG= -0.054460 TDE= -0.340369 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.717276251666 eV TrLogG= -407.289232367264 eV Ratio to renormalize= 0.999572241471 rho-rho_expected= 0.009414714864 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964584396670132 0.940261938086228 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011453 logG= -0.013787 Density= 0.053761 ETOT(band)= -0.058049 trlgG= -0.072487 logG= -0.013787 TDE= -0.085304 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002325 tlogG= -0.011889 logG= -0.014214 Density= 0.053585 ETOT(band)= -0.058379 trlgG= -0.073251 logG= -0.014214 TDE= -0.085553 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005851 logG= -0.001049 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.022182 logG= -0.027138 Density= 0.108406 ETOT(band)= -0.115391 trlgG= -0.143932 logG= -0.027138 TDE= -0.170439 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012038 logG= -0.014641 Density= 0.053786 ETOT(band)= -0.058512 trlgG= -0.073670 logG= -0.014641 TDE= -0.085645 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.024056 logG= -0.028600 Density= 0.106436 ETOT(band)= -0.117106 trlgG= -0.146766 logG= -0.028600 TDE= -0.170837 logGD-logG0= -0.004998 tlogG= -0.023654 logG= -0.028652 Density= 0.107026 ETOT(band)= -0.116886 trlgG= -0.146265 logG= -0.028652 TDE= -0.170575 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023695 logG= -0.028982 Density= 0.107279 ETOT(band)= -0.116958 trlgG= -0.146816 logG= -0.028982 TDE= -0.170921 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 logGD-logG0= -0.002420 tlogG= -0.012088 logG= -0.014508 Density= 0.035329 ETOT(band)= -0.039060 trlgG= -0.048961 logG= -0.009452 TDE= -0.056991 Density= 0.053608 ETOT(band)= -0.058523 trlgG= -0.073613 logG= -0.014508 TDE= -0.085633 logGD-logG0= -0.005112 tlogG= -0.022887 logG= -0.027999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107664 ETOT(band)= -0.116255 trlgG= -0.145312 logG= -0.027999 TDE= -0.170590 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023208 logG= -0.028511 Density= 0.107731 ETOT(band)= -0.116503 trlgG= -0.146121 logG= -0.028511 TDE= -0.170921 logGD-logG0= -0.002560 tlogG= -0.011990 logG= -0.014550 Density= 0.054161 ETOT(band)= -0.058276 trlgG= -0.073535 logG= -0.014550 TDE= -0.085787 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001486 tlogG= -0.007815 logG= -0.009300 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035509 ETOT(band)= -0.038909 trlgG= -0.048597 logG= -0.009300 TDE= -0.056868 logGD-logG0= -0.005038 tlogG= -0.022470 logG= -0.027508 logGD-logG0= -0.005148 tlogG= -0.023442 logG= -0.028590 Density= 0.108178 ETOT(band)= -0.116340 trlgG= -0.146260 logG= -0.028590 TDE= -0.171201 logGD-logG0= -0.005153 tlogG= -0.023776 logG= -0.028928 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108250 ETOT(band)= -0.115697 trlgG= -0.144539 logG= -0.027508 TDE= -0.170599 Density= 0.108225 ETOT(band)= -0.116502 trlgG= -0.146795 logG= -0.028928 TDE= -0.171422 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023962 logG= -0.029102 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.022995 logG= -0.028101 Density= 0.108275 ETOT(band)= -0.116577 trlgG= -0.147074 logG= -0.029102 TDE= -0.171552 Density= 0.108182 ETOT(band)= -0.116070 trlgG= -0.145486 logG= -0.028101 TDE= -0.170919 logGD-logG0= -0.005280 tlogG= -0.024083 logG= -0.029363 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107690 ETOT(band)= -0.117027 trlgG= -0.147486 logG= -0.029363 TDE= -0.171414 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.023984 logG= -0.028331 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106218 ETOT(band)= -0.117073 trlgG= -0.146642 logG= -0.028331 TDE= -0.170873 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004320 tlogG= -0.024061 logG= -0.028381 Density= 0.106166 ETOT(band)= -0.117117 trlgG= -0.146756 logG= -0.028381 TDE= -0.170911 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.024145 logG= -0.029467 Density= 0.107858 ETOT(band)= -0.117023 trlgG= -0.147676 logG= -0.029467 TDE= -0.171582 logGD-logG0= -0.002629 tlogG= -0.011994 logG= -0.014622 logGD-logG0= -0.004622 tlogG= -0.023216 logG= -0.027838 Density= 0.106786 ETOT(band)= -0.116575 trlgG= -0.145437 logG= -0.027838 TDE= -0.170442 Density= 0.054006 ETOT(band)= -0.058396 trlgG= -0.073655 logG= -0.014622 TDE= -0.085758 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.023914 logG= -0.029227 Density= 0.107799 ETOT(band)= -0.116893 trlgG= -0.147272 logG= -0.029227 TDE= -0.171389 logGD-logG0= -0.005290 tlogG= -0.024099 logG= -0.029389 logGD-logG0= -0.004831 tlogG= -0.023700 logG= -0.028531 Density= 0.107935 ETOT(band)= -0.116935 trlgG= -0.147551 logG= -0.029389 TDE= -0.171574 Density= 0.107426 ETOT(band)= -0.116680 trlgG= -0.146368 logG= -0.028531 TDE= -0.170997 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.022861 logG= -0.027727 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107796 ETOT(band)= -0.116051 trlgG= -0.144901 logG= -0.027727 TDE= -0.170517 logGD-logG0= -0.004902 tlogG= -0.023904 logG= -0.028807 logGD-logG0= -0.005099 tlogG= -0.023228 logG= -0.028327 logGD-logG0= -0.005129 tlogG= -0.023617 logG= -0.028747 logGD-logG0= -0.005230 tlogG= -0.023978 logG= -0.029209 Density= 0.107491 ETOT(band)= -0.117012 trlgG= -0.147212 logG= -0.029209 TDE= -0.171196 Density= 0.106805 ETOT(band)= -0.117068 trlgG= -0.146878 logG= -0.028807 TDE= -0.170924 logGD-logG0= -0.004710 tlogG= -0.023000 logG= -0.027709 Density= 0.106922 ETOT(band)= -0.116445 trlgG= -0.145175 logG= -0.027709 TDE= -0.170376 logGD-logG0= -0.005034 tlogG= -0.022746 logG= -0.027780 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023883 logG= -0.029010 Density= 0.108296 ETOT(band)= -0.116512 trlgG= -0.146925 logG= -0.029010 TDE= -0.171505 Density= 0.108241 ETOT(band)= -0.116163 trlgG= -0.145842 logG= -0.028327 TDE= -0.171078 Density= 0.108250 ETOT(band)= -0.116386 trlgG= -0.146504 logG= -0.028747 TDE= -0.171325 Density= 0.108295 ETOT(band)= -0.115834 trlgG= -0.144975 logG= -0.027780 TDE= -0.170785 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023679 logG= -0.028358 Density= 0.106646 ETOT(band)= -0.116913 trlgG= -0.146350 logG= -0.028358 TDE= -0.170766 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.023511 logG= -0.028245 Density= 0.106822 ETOT(band)= -0.116767 trlgG= -0.145922 logG= -0.028245 TDE= -0.170538 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022420 logG= -0.027434 Density= 0.107683 ETOT(band)= -0.115921 trlgG= -0.144416 logG= -0.027434 TDE= -0.170269 logGD-logG0= -0.004709 tlogG= -0.023698 logG= -0.028406 Density= 0.107023 ETOT(band)= -0.116797 trlgG= -0.146457 logG= -0.028406 TDE= -0.171011 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.024080 logG= -0.028961 Density= 0.107104 ETOT(band)= -0.117051 trlgG= -0.147134 logG= -0.028961 TDE= -0.171173 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023882 logG= -0.029158 Density= 0.107963 ETOT(band)= -0.116762 trlgG= -0.147166 logG= -0.029158 TDE= -0.171433 logGD-logG0= -0.004742 tlogG= -0.022863 logG= -0.027605 Density= 0.107346 ETOT(band)= -0.116193 trlgG= -0.145025 logG= -0.027605 TDE= -0.170540 logGD-logG0= -0.004994 tlogG= -0.024104 logG= -0.029098 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107426 ETOT(band)= -0.116991 trlgG= -0.147109 logG= -0.029098 TDE= -0.171171 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009474 tlogG= -0.045783 logG= -0.055257 Density= 0.215116 ETOT(band)= -0.232222 trlgG= -0.289954 logG= -0.055257 TDE= -0.341146 logGD-logG0= -0.005265 tlogG= -0.024070 logG= -0.029335 Density= 0.107994 ETOT(band)= -0.116868 trlgG= -0.147463 logG= -0.029335 TDE= -0.171568 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.023591 logG= -0.028905 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009785 tlogG= -0.048267 logG= -0.058051 Density= 0.107847 ETOT(band)= -0.116665 trlgG= -0.146751 logG= -0.028905 TDE= -0.171214 Density= 0.214496 ETOT(band)= -0.234061 trlgG= -0.294343 logG= -0.058051 TDE= -0.342436 logGD-logG0= -0.009650 tlogG= -0.047182 logG= -0.056832 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213864 ETOT(band)= -0.233652 trlgG= -0.292765 logG= -0.056832 TDE= -0.341764 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009106 tlogG= -0.047652 logG= -0.056759 Density= 0.213023 ETOT(band)= -0.233948 trlgG= -0.292834 logG= -0.056759 TDE= -0.341490 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009535 tlogG= -0.047953 logG= -0.057488 Density= 0.213369 ETOT(band)= -0.234158 trlgG= -0.293478 logG= -0.057488 TDE= -0.341576 logGD-logG0= -0.010507 tlogG= -0.047771 logG= -0.058277 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009930 tlogG= -0.047923 logG= -0.057852 Density= 0.214853 ETOT(band)= -0.233986 trlgG= -0.294177 logG= -0.058277 TDE= -0.342219 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009424 tlogG= -0.047470 logG= -0.056894 Density= 0.214407 ETOT(band)= -0.233485 trlgG= -0.292898 logG= -0.056894 TDE= -0.342103 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214065 ETOT(band)= -0.234098 trlgG= -0.294030 logG= -0.057852 TDE= -0.342107 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047178 logG= -0.056988 Density= 0.213875 ETOT(band)= -0.233696 trlgG= -0.292557 logG= -0.056988 TDE= -0.341405 logGD-logG0= -0.010462 tlogG= -0.048105 logG= -0.058568 logGD-logG0= -0.010543 tlogG= -0.048039 logG= -0.058583 Density= 0.215167 ETOT(band)= -0.234041 trlgG= -0.294689 logG= -0.058568 TDE= -0.342596 Density= 0.215203 ETOT(band)= -0.234032 trlgG= -0.294716 logG= -0.058583 TDE= -0.342626 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002464 tlogG= -0.010847 logG= -0.013311 Density= 0.054087 ETOT(band)= -0.057570 trlgG= -0.071529 logG= -0.013311 TDE= -0.084984 logGD-logG0= -0.010371 tlogG= -0.047810 logG= -0.058181 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010054 tlogG= -0.048052 logG= -0.058106 Density= 0.214627 ETOT(band)= -0.234008 trlgG= -0.294093 logG= -0.058106 TDE= -0.342195 Density= 0.214752 ETOT(band)= -0.233980 trlgG= -0.294007 logG= -0.058181 TDE= -0.342096 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.048004 logG= -0.058315 Density= 0.215169 ETOT(band)= -0.233896 trlgG= -0.294273 logG= -0.058315 TDE= -0.342434 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035860 ETOT(band)= -0.038562 trlgG= -0.047901 logG= -0.008999 TDE= -0.056647 logGD-logG0= -0.010602 tlogG= -0.047552 logG= -0.058154 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215796 ETOT(band)= -0.233490 trlgG= -0.294063 logG= -0.058154 TDE= -0.342695 logGD-logG0= -0.010397 tlogG= -0.047333 logG= -0.057730 logGD-logG0= -0.010169 tlogG= -0.047684 logG= -0.057853 logGD-logG0= -0.010528 tlogG= -0.047965 logG= -0.058493 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214046 ETOT(band)= -0.234084 trlgG= -0.293782 logG= -0.057853 TDE= -0.341850 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009858 tlogG= -0.045673 logG= -0.055531 Density= 0.214359 ETOT(band)= -0.233878 trlgG= -0.293258 logG= -0.057730 TDE= -0.341604 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 Density= 0.036212 ETOT(band)= -0.038114 trlgG= -0.047241 logG= -0.008621 TDE= -0.056540 Density= 0.215992 ETOT(band)= -0.233607 trlgG= -0.294626 logG= -0.058493 TDE= -0.343016 logGD-logG0= -0.002404 tlogG= -0.010432 logG= -0.012836 Density= 0.054402 ETOT(band)= -0.057054 trlgG= -0.070684 logG= -0.012836 TDE= -0.084769 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215248 ETOT(band)= -0.232298 trlgG= -0.289946 logG= -0.055531 TDE= -0.340930 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.048171 logG= -0.058827 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010170 tlogG= -0.046437 logG= -0.056607 logGD-logG0= -0.010566 tlogG= -0.047447 logG= -0.058013 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215519 ETOT(band)= -0.234059 trlgG= -0.295154 logG= -0.058827 TDE= -0.342977 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215564 ETOT(band)= -0.233530 trlgG= -0.293822 logG= -0.058013 TDE= -0.342481 Density= 0.215313 ETOT(band)= -0.232861 trlgG= -0.291578 logG= -0.056607 TDE= -0.341519 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009752 tlogG= -0.045613 logG= -0.055365 Density= 0.214463 ETOT(band)= -0.232570 trlgG= -0.290128 logG= -0.055365 TDE= -0.340890 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.047914 logG= -0.058496 Density= 0.215863 ETOT(band)= -0.233679 trlgG= -0.294628 logG= -0.058496 TDE= -0.342952 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010609 tlogG= -0.046904 logG= -0.057513 Density= 0.215526 ETOT(band)= -0.233253 trlgG= -0.293022 logG= -0.057513 TDE= -0.342162 logGD-logG0= -0.009779 tlogG= -0.047248 logG= -0.057027 Density= 0.214574 ETOT(band)= -0.233447 trlgG= -0.292672 logG= -0.057027 TDE= -0.341827 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010082 tlogG= -0.047177 logG= -0.057258 Density= 0.215247 ETOT(band)= -0.233263 trlgG= -0.292595 logG= -0.057258 TDE= -0.341852 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.021887 logG= -0.026878 Density= 0.108370 ETOT(band)= -0.115207 trlgG= -0.143483 logG= -0.026878 TDE= -0.170232 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004825 tlogG= -0.021002 logG= -0.025827 Density= 0.108757 ETOT(band)= -0.114254 trlgG= -0.141648 logG= -0.025827 TDE= -0.169639 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.021829 logG= -0.026900 Density= 0.107838 ETOT(band)= -0.115494 trlgG= -0.143541 logG= -0.026900 TDE= -0.170005 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005012 tlogG= -0.021706 logG= -0.026718 Density= 0.107981 ETOT(band)= -0.115302 trlgG= -0.143233 logG= -0.026718 TDE= -0.169949 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010019 tlogG= -0.043413 logG= -0.053431 Density= 0.216374 ETOT(band)= -0.230395 trlgG= -0.286443 logG= -0.053431 TDE= -0.340084 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004905 tlogG= -0.021577 logG= -0.026482 Density= 0.108561 ETOT(band)= -0.114842 trlgG= -0.142804 logG= -0.026482 TDE= -0.170043 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005622 logG= -0.006860 Density= 0.080874 ETOT(band)= -0.086939 trlgG= -0.108593 logG= -0.006860 TDE= -0.042663 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005751 logG= -0.007009 Density= 0.080672 ETOT(band)= -0.087367 trlgG= -0.109595 logG= -0.007009 TDE= -0.042740 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022452 logG= -0.027567 Density= 0.216466 ETOT(band)= -0.231211 trlgG= -0.288566 logG= -0.027567 TDE= -0.170540 logGD-logG0= -0.005073 tlogG= -0.023968 logG= -0.029041 Density= 0.214436 ETOT(band)= -0.234012 trlgG= -0.293866 logG= -0.029041 TDE= -0.171036 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080867 ETOT(band)= -0.087618 trlgG= -0.110347 logG= -0.007219 TDE= -0.042859 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023894 logG= -0.028805 Density= 0.213885 ETOT(band)= -0.233924 trlgG= -0.292956 logG= -0.028805 TDE= -0.170765 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.023983 logG= -0.028554 Density= 0.212906 ETOT(band)= -0.234183 trlgG= -0.293438 logG= -0.028554 TDE= -0.170804 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005859 logG= -0.007131 Density= 0.080684 ETOT(band)= -0.087583 trlgG= -0.110150 logG= -0.007131 TDE= -0.042805 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005987 logG= -0.007262 Density= 0.081096 ETOT(band)= -0.087522 trlgG= -0.110401 logG= -0.007262 TDE= -0.042889 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023206 logG= -0.028371 logGD-logG0= -0.005222 tlogG= -0.024013 logG= -0.029234 Density= 0.214966 ETOT(band)= -0.232874 trlgG= -0.291175 logG= -0.028371 TDE= -0.170591 Density= 0.215782 ETOT(band)= -0.233779 trlgG= -0.294781 logG= -0.029234 TDE= -0.171550 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024011 logG= -0.029197 Density= 0.216450 ETOT(band)= -0.233264 trlgG= -0.294308 logG= -0.029197 TDE= -0.171568 logGD-logG0= -0.005248 tlogG= -0.023495 logG= -0.028743 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215311 ETOT(band)= -0.233249 trlgG= -0.292864 logG= -0.028743 TDE= -0.171140 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023367 logG= -0.028797 Density= 0.215204 ETOT(band)= -0.233274 trlgG= -0.292670 logG= -0.028797 TDE= -0.170935 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.023811 logG= -0.029066 Density= 0.215430 ETOT(band)= -0.233684 trlgG= -0.294127 logG= -0.029066 TDE= -0.171397 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024134 logG= -0.029448 Density= 0.215814 ETOT(band)= -0.233935 trlgG= -0.295197 logG= -0.029448 TDE= -0.171582 logGD-logG0= -0.005071 tlogG= -0.023857 logG= -0.028927 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215591 ETOT(band)= -0.233680 trlgG= -0.294230 logG= -0.028927 TDE= -0.171085 logGD-logG0= -0.004767 tlogG= -0.024017 logG= -0.028784 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321709 ETOT(band)= -0.350985 trlgG= -0.441272 logG= -0.028784 TDE= -0.171198 logGD-logG0= -0.004293 tlogG= -0.024141 logG= -0.028435 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212270 ETOT(band)= -0.234283 trlgG= -0.293635 logG= -0.028435 TDE= -0.170950 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.023597 logG= -0.028080 logGD-logG0= -0.010400 tlogG= -0.047810 logG= -0.058209 Density= 0.212718 ETOT(band)= -0.233904 trlgG= -0.292688 logG= -0.028080 TDE= -0.170667 Density= 0.324493 ETOT(band)= -0.349800 trlgG= -0.440959 logG= -0.058209 TDE= -0.342975 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.048064 logG= -0.058746 logGD-logG0= -0.004427 tlogG= -0.023750 logG= -0.028177 logGD-logG0= -0.001187 tlogG= -0.005174 logG= -0.006361 Density= 0.062569 ETOT(band)= -0.067521 trlgG= -0.084195 logG= -0.006361 TDE= -0.042353 Density= 0.323390 ETOT(band)= -0.350868 trlgG= -0.442299 logG= -0.058746 TDE= -0.342967 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213187 ETOT(band)= -0.233498 trlgG= -0.291714 logG= -0.028177 TDE= -0.170752 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.024174 logG= -0.029213 logGD-logG0= -0.001582 tlogG= -0.006878 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042661 trlgG= -0.052792 logG= -0.008460 TDE= -0.056454 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322584 ETOT(band)= -0.351101 trlgG= -0.441950 logG= -0.029213 TDE= -0.171204 logGD-logG0= -0.010170 tlogG= -0.045654 logG= -0.055824 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023379 logG= -0.028058 Density= 0.324189 ETOT(band)= -0.347833 trlgG= -0.434909 logG= -0.055824 TDE= -0.341403 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010446 tlogG= -0.047259 logG= -0.057705 Density= 0.324276 ETOT(band)= -0.349433 trlgG= -0.439612 logG= -0.057705 TDE= -0.342583 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321780 ETOT(band)= -0.349937 trlgG= -0.438695 logG= -0.028058 TDE= -0.170873 logGD-logG0= -0.005244 tlogG= -0.024096 logG= -0.029340 logGD-logG0= -0.005013 tlogG= -0.024168 logG= -0.029181 logGD-logG0= -0.004597 tlogG= -0.023901 logG= -0.028498 Density= 0.213380 ETOT(band)= -0.233775 trlgG= -0.292445 logG= -0.028498 TDE= -0.170756 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214837 ETOT(band)= -0.234086 trlgG= -0.294482 logG= -0.029181 TDE= -0.171209 Density= 0.323204 ETOT(band)= -0.351075 trlgG= -0.442601 logG= -0.029340 TDE= -0.171395 logGD-logG0= -0.005205 tlogG= -0.023427 logG= -0.028632 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.022980 logG= -0.028157 Density= 0.216321 ETOT(band)= -0.232009 trlgG= -0.290550 logG= -0.028157 TDE= -0.170874 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023968 logG= -0.029147 logGD-logG0= -0.004829 tlogG= -0.023847 logG= -0.028676 Density= 0.213670 ETOT(band)= -0.234062 trlgG= -0.293693 logG= -0.028676 TDE= -0.171021 Density= 0.216293 ETOT(band)= -0.232582 trlgG= -0.292165 logG= -0.028632 TDE= -0.171161 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216484 ETOT(band)= -0.233160 trlgG= -0.294075 logG= -0.029147 TDE= -0.171541 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.023255 logG= -0.028033 Density= 0.213597 ETOT(band)= -0.233529 trlgG= -0.292175 logG= -0.028033 TDE= -0.170717 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024018 logG= -0.028752 logGD-logG0= -0.005198 tlogG= -0.023774 logG= -0.028972 Density= 0.214216 ETOT(band)= -0.234003 trlgG= -0.294084 logG= -0.028752 TDE= -0.171203 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023910 logG= -0.029272 Density= 0.216374 ETOT(band)= -0.232962 trlgG= -0.293371 logG= -0.028972 TDE= -0.171400 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010443 tlogG= -0.046439 logG= -0.056882 Density= 0.215742 ETOT(band)= -0.233681 trlgG= -0.294509 logG= -0.029272 TDE= -0.171406 Density= 0.324140 ETOT(band)= -0.348776 trlgG= -0.437527 logG= -0.056882 TDE= -0.342026 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023382 logG= -0.028029 Density= 0.214280 ETOT(band)= -0.233290 trlgG= -0.292291 logG= -0.028029 TDE= -0.170881 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009675 tlogG= -0.046628 logG= -0.056303 Density= 0.322851 ETOT(band)= -0.348895 trlgG= -0.436340 logG= -0.056303 TDE= -0.341556 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023969 logG= -0.029316 Density= 0.323805 ETOT(band)= -0.350542 trlgG= -0.442045 logG= -0.029316 TDE= -0.171454 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023256 logG= -0.028282 Density= 0.321847 ETOT(band)= -0.350443 trlgG= -0.439546 logG= -0.028282 TDE= -0.170827 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.022916 logG= -0.027880 Density= 0.214896 ETOT(band)= -0.232319 trlgG= -0.289645 logG= -0.027880 TDE= -0.170404 logGD-logG0= -0.005410 tlogG= -0.023696 logG= -0.029105 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215504 ETOT(band)= -0.233533 trlgG= -0.293810 logG= -0.029105 TDE= -0.171228 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007592 logG= -0.009163 Density= 0.071531 ETOT(band)= -0.077320 trlgG= -0.096140 logG= -0.009163 TDE= -0.056728 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010134 tlogG= -0.048171 logG= -0.058305 Density= 0.429492 ETOT(band)= -0.468105 trlgG= -0.588525 logG= -0.058305 TDE= -0.342258 logGD-logG0= -0.008945 tlogG= -0.048117 logG= -0.057061 Density= 0.425730 ETOT(band)= -0.468164 trlgG= -0.586361 logG= -0.057061 TDE= -0.341724 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009630 tlogG= -0.047862 logG= -0.057492 Density= 0.428229 ETOT(band)= -0.467989 trlgG= -0.587753 logG= -0.057492 TDE= -0.342211 logGD-logG0= -0.010267 tlogG= -0.048245 logG= -0.058512 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430228 ETOT(band)= -0.468112 trlgG= -0.589293 logG= -0.058512 TDE= -0.342470 logGD-logG0= -0.001224 tlogG= -0.005471 logG= -0.006695 Density= 0.081236 ETOT(band)= -0.086328 trlgG= -0.107356 logG= -0.006695 TDE= -0.042566 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009494 tlogG= -0.046630 logG= -0.056123 Density= 0.428292 ETOT(band)= -0.466685 trlgG= -0.584359 logG= -0.056123 TDE= -0.341580 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.047691 logG= -0.057934 Density= 0.428484 ETOT(band)= -0.467972 trlgG= -0.587084 logG= -0.057934 TDE= -0.341851 logGD-logG0= -0.010302 tlogG= -0.047980 logG= -0.058282 Density= 0.429396 ETOT(band)= -0.468066 trlgG= -0.588169 logG= -0.058282 TDE= -0.342096 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.021314 logG= -0.026220 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162720 ETOT(band)= -0.172932 trlgG= -0.215890 logG= -0.026220 TDE= -0.169855 logGD-logG0= -0.009637 tlogG= -0.047673 logG= -0.057310 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010750 tlogG= -0.047716 logG= -0.058466 Density= 0.431284 ETOT(band)= -0.467312 trlgG= -0.588615 logG= -0.058466 TDE= -0.342720 Density= 0.426865 ETOT(band)= -0.468196 trlgG= -0.586880 logG= -0.057310 TDE= -0.341741 logGD-logG0= -0.009807 tlogG= -0.047876 logG= -0.057683 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009400 Density= 0.429327 ETOT(band)= -0.467769 trlgG= -0.587730 logG= -0.057683 TDE= -0.342198 Density= 0.070900 ETOT(band)= -0.077920 trlgG= -0.097436 logG= -0.009400 TDE= -0.056953 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010646 tlogG= -0.047754 logG= -0.058400 Density= 0.430942 ETOT(band)= -0.467368 trlgG= -0.588255 logG= -0.058400 TDE= -0.342613 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010477 tlogG= -0.048095 logG= -0.058572 Density= 0.430334 ETOT(band)= -0.467942 trlgG= -0.588966 logG= -0.058572 TDE= -0.342596 logGD-logG0= -0.009591 tlogG= -0.047792 logG= -0.057382 Density= 0.427371 ETOT(band)= -0.467747 trlgG= -0.585734 logG= -0.057382 TDE= -0.341443 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.022338 logG= -0.027130 logGD-logG0= -0.010675 tlogG= -0.048041 logG= -0.058716 Density= 0.215127 ETOT(band)= -0.231874 trlgG= -0.289047 logG= -0.027130 TDE= -0.170227 Density= 0.431523 ETOT(band)= -0.467596 trlgG= -0.589609 logG= -0.058716 TDE= -0.342985 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010306 tlogG= -0.046954 logG= -0.057260 Density= 0.430073 ETOT(band)= -0.466314 trlgG= -0.584129 logG= -0.057260 TDE= -0.341564 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009986 tlogG= -0.047582 logG= -0.057568 Density= 0.428800 ETOT(band)= -0.467318 trlgG= -0.586126 logG= -0.057568 TDE= -0.341896 logGD-logG0= -0.009923 tlogG= -0.046423 logG= -0.056346 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429727 ETOT(band)= -0.465397 trlgG= -0.581432 logG= -0.056346 TDE= -0.341276 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.047292 logG= -0.057997 Density= 0.430673 ETOT(band)= -0.466942 trlgG= -0.586782 logG= -0.057997 TDE= -0.342229 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.022339 logG= -0.027171 Density= 0.323019 ETOT(band)= -0.347864 trlgG= -0.433950 logG= -0.027171 TDE= -0.170221 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010230 tlogG= -0.047594 logG= -0.057824 Density= 0.430201 ETOT(band)= -0.466962 trlgG= -0.586058 logG= -0.057824 TDE= -0.342009 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.046734 logG= -0.056172 Density= 0.428091 ETOT(band)= -0.465961 trlgG= -0.581750 logG= -0.056172 TDE= -0.341164 logGD-logG0= -0.001205 tlogG= -0.005310 logG= -0.006515 Density= 0.081594 ETOT(band)= -0.085661 trlgG= -0.106198 logG= -0.006515 TDE= -0.042455 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.044646 logG= -0.054609 Density= 0.324432 ETOT(band)= -0.346564 trlgG= -0.431899 logG= -0.054609 TDE= -0.340725 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004945 tlogG= -0.022303 logG= -0.027248 Density= 0.214361 ETOT(band)= -0.232358 trlgG= -0.289396 logG= -0.027248 TDE= -0.170140 logGD-logG0= -0.001693 tlogG= -0.007121 logG= -0.008813 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072262 ETOT(band)= -0.076455 trlgG= -0.094829 logG= -0.008813 TDE= -0.056614 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004914 tlogG= -0.022484 logG= -0.027397 Density= 0.215123 ETOT(band)= -0.231584 trlgG= -0.288002 logG= -0.027397 TDE= -0.170153 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021363 logG= -0.026352 Density= 0.217116 ETOT(band)= -0.229108 trlgG= -0.284247 logG= -0.026352 TDE= -0.169868 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004948 tlogG= -0.021218 logG= -0.026166 Density= 0.216444 ETOT(band)= -0.229965 trlgG= -0.285500 logG= -0.026166 TDE= -0.169775 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009811 tlogG= -0.044648 logG= -0.054458 Density= 0.431803 ETOT(band)= -0.461931 trlgG= -0.574658 logG= -0.054458 TDE= -0.340361 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.021892 logG= -0.026969 Density= 0.216722 ETOT(band)= -0.230214 trlgG= -0.286450 logG= -0.026969 TDE= -0.170200 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.708858193860 eV TrLogG= -407.275235839339 eV Ratio to renormalize= 0.999581485395 rho-rho_expected= 0.009211176325 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964557057436511 0.940226407898020 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004347 tlogG= -0.023983 logG= -0.028330 Density= 0.106217 ETOT(band)= -0.117070 trlgG= -0.146638 logG= -0.028330 TDE= -0.170870 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004623 tlogG= -0.023214 logG= -0.027837 Density= 0.106785 ETOT(band)= -0.116572 trlgG= -0.145433 logG= -0.027837 TDE= -0.170439 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.023509 logG= -0.028244 Density= 0.106821 ETOT(band)= -0.116764 trlgG= -0.145918 logG= -0.028244 TDE= -0.170535 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004710 tlogG= -0.022998 logG= -0.027708 Density= 0.106921 ETOT(band)= -0.116442 trlgG= -0.145171 logG= -0.027708 TDE= -0.170372 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.010432 logG= -0.012836 Density= 0.054401 ETOT(band)= -0.057053 trlgG= -0.070682 logG= -0.012836 TDE= -0.084767 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001625 tlogG= -0.006995 logG= -0.008620 Density= 0.036212 ETOT(band)= -0.038113 trlgG= -0.047240 logG= -0.008620 TDE= -0.056539 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004826 tlogG= -0.021000 logG= -0.025826 Density= 0.108756 ETOT(band)= -0.114252 trlgG= -0.141644 logG= -0.025826 TDE= -0.169636 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005071 tlogG= -0.021828 logG= -0.026899 Density= 0.107837 ETOT(band)= -0.115491 trlgG= -0.143537 logG= -0.026899 TDE= -0.170001 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004731 trlgG= -0.005851 logG= -0.001049 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011888 logG= -0.014214 Density= 0.053585 ETOT(band)= -0.058378 trlgG= -0.073249 logG= -0.014214 TDE= -0.085551 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012037 logG= -0.014640 Density= 0.053786 ETOT(band)= -0.058511 trlgG= -0.073668 logG= -0.014640 TDE= -0.085644 logGD-logG0= -0.002421 tlogG= -0.012087 logG= -0.014507 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053607 ETOT(band)= -0.058522 trlgG= -0.073611 logG= -0.014507 TDE= -0.085631 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001404 tlogG= -0.008047 logG= -0.009451 logGD-logG0= -0.001486 tlogG= -0.007814 logG= -0.009300 Density= 0.035509 ETOT(band)= -0.038908 trlgG= -0.048595 logG= -0.009300 TDE= -0.056867 Density= 0.035329 ETOT(band)= -0.039059 trlgG= -0.048959 logG= -0.009451 TDE= -0.056990 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011453 logG= -0.013786 Density= 0.053760 ETOT(band)= -0.058048 trlgG= -0.072485 logG= -0.013786 TDE= -0.085302 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.011989 logG= -0.014549 Density= 0.054160 ETOT(band)= -0.058275 trlgG= -0.073533 logG= -0.014549 TDE= -0.085785 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023774 logG= -0.028927 Density= 0.108224 ETOT(band)= -0.116499 trlgG= -0.146791 logG= -0.028927 TDE= -0.171419 logGD-logG0= -0.004320 tlogG= -0.024060 logG= -0.028380 Density= 0.106165 ETOT(band)= -0.117114 trlgG= -0.146751 logG= -0.028380 TDE= -0.170907 logGD-logG0= -0.005107 tlogG= -0.022993 logG= -0.028100 Density= 0.108181 ETOT(band)= -0.116067 trlgG= -0.145482 logG= -0.028100 TDE= -0.170915 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023441 logG= -0.028589 Density= 0.108177 ETOT(band)= -0.116337 trlgG= -0.146256 logG= -0.028589 TDE= -0.171198 logGD-logG0= -0.002629 tlogG= -0.011993 logG= -0.014622 Density= 0.054006 ETOT(band)= -0.058395 trlgG= -0.073653 logG= -0.014622 TDE= -0.085756 logGD-logG0= -0.004831 tlogG= -0.023698 logG= -0.028530 Density= 0.107425 ETOT(band)= -0.116677 trlgG= -0.146363 logG= -0.028530 TDE= -0.170993 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.022181 logG= -0.027137 Density= 0.108405 ETOT(band)= -0.115389 trlgG= -0.143928 logG= -0.027137 TDE= -0.170435 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023960 logG= -0.029101 Density= 0.108274 ETOT(band)= -0.116574 trlgG= -0.147070 logG= -0.029101 TDE= -0.171549 logGD-logG0= -0.005280 tlogG= -0.024082 logG= -0.029362 Density= 0.107689 ETOT(band)= -0.117024 trlgG= -0.147482 logG= -0.029362 TDE= -0.171410 logGD-logG0= -0.005039 tlogG= -0.022468 logG= -0.027507 logGD-logG0= -0.004995 tlogG= -0.024103 logG= -0.029097 Density= 0.108250 ETOT(band)= -0.115694 trlgG= -0.144535 logG= -0.027507 TDE= -0.170595 Density= 0.107426 ETOT(band)= -0.116988 trlgG= -0.147105 logG= -0.029097 TDE= -0.171167 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.022860 logG= -0.027726 Density= 0.107795 ETOT(band)= -0.116048 trlgG= -0.144897 logG= -0.027726 TDE= -0.170513 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.024097 logG= -0.029388 Density= 0.107934 ETOT(band)= -0.116933 trlgG= -0.147547 logG= -0.029388 TDE= -0.171570 logGD-logG0= -0.005130 tlogG= -0.023616 logG= -0.028746 logGD-logG0= -0.005323 tlogG= -0.024143 logG= -0.029466 Density= 0.108249 ETOT(band)= -0.116384 trlgG= -0.146500 logG= -0.028746 TDE= -0.171322 logGD-logG0= -0.005313 tlogG= -0.023913 logG= -0.029226 Density= 0.107857 ETOT(band)= -0.117020 trlgG= -0.147672 logG= -0.029466 TDE= -0.171578 logGD-logG0= -0.005099 tlogG= -0.023226 logG= -0.028326 Density= 0.108240 ETOT(band)= -0.116160 trlgG= -0.145837 logG= -0.028326 TDE= -0.171074 Density= 0.107798 ETOT(band)= -0.116890 trlgG= -0.147267 logG= -0.029226 TDE= -0.171385 logGD-logG0= -0.004998 tlogG= -0.023653 logG= -0.028651 Density= 0.107026 ETOT(band)= -0.116883 trlgG= -0.146261 logG= -0.028651 TDE= -0.170571 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022418 logG= -0.027433 Density= 0.107683 ETOT(band)= -0.115918 trlgG= -0.144411 logG= -0.027433 TDE= -0.170266 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.023977 logG= -0.029208 logGD-logG0= -0.005287 tlogG= -0.023694 logG= -0.028981 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107278 ETOT(band)= -0.116956 trlgG= -0.146812 logG= -0.028981 TDE= -0.170917 Density= 0.107491 ETOT(band)= -0.117009 trlgG= -0.147208 logG= -0.029208 TDE= -0.171192 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.023903 logG= -0.028806 Density= 0.106804 ETOT(band)= -0.117065 trlgG= -0.146874 logG= -0.028806 TDE= -0.170920 logGD-logG0= -0.005034 tlogG= -0.022745 logG= -0.027779 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004709 tlogG= -0.023696 logG= -0.028405 Density= 0.108294 ETOT(band)= -0.115831 trlgG= -0.144971 logG= -0.027779 TDE= -0.170782 logGD-logG0= -0.004543 tlogG= -0.024055 logG= -0.028598 Density= 0.106436 ETOT(band)= -0.117103 trlgG= -0.146762 logG= -0.028598 TDE= -0.170833 Density= 0.107023 ETOT(band)= -0.116795 trlgG= -0.146453 logG= -0.028405 TDE= -0.171008 logGD-logG0= -0.004881 tlogG= -0.024079 logG= -0.028960 Density= 0.107103 ETOT(band)= -0.117048 trlgG= -0.147129 logG= -0.028960 TDE= -0.171169 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023882 logG= -0.029009 logGD-logG0= -0.004679 tlogG= -0.023678 logG= -0.028357 Density= 0.106645 ETOT(band)= -0.116910 trlgG= -0.146346 logG= -0.028357 TDE= -0.170762 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108295 ETOT(band)= -0.116510 trlgG= -0.146921 logG= -0.029009 TDE= -0.171502 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.022886 logG= -0.027998 Density= 0.107663 ETOT(band)= -0.116252 trlgG= -0.145307 logG= -0.027998 TDE= -0.170587 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023207 logG= -0.028510 Density= 0.107730 ETOT(band)= -0.116500 trlgG= -0.146117 logG= -0.028510 TDE= -0.170917 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023880 logG= -0.029157 Density= 0.107962 ETOT(band)= -0.116759 trlgG= -0.147162 logG= -0.029157 TDE= -0.171430 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.022862 logG= -0.027604 Density= 0.107345 ETOT(band)= -0.116191 trlgG= -0.145021 logG= -0.027604 TDE= -0.170537 logGD-logG0= -0.009475 tlogG= -0.045780 logG= -0.055255 logGD-logG0= -0.009785 tlogG= -0.048264 logG= -0.058049 Density= 0.215114 ETOT(band)= -0.232217 trlgG= -0.289945 logG= -0.055255 TDE= -0.341139 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214495 ETOT(band)= -0.234056 trlgG= -0.294335 logG= -0.058049 TDE= -0.342429 logGD-logG0= -0.005314 tlogG= -0.023590 logG= -0.028904 logGD-logG0= -0.005266 tlogG= -0.024068 logG= -0.029334 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107993 ETOT(band)= -0.116865 trlgG= -0.147458 logG= -0.029334 TDE= -0.171565 logGD-logG0= -0.009107 tlogG= -0.047650 logG= -0.056757 Density= 0.107846 ETOT(band)= -0.116662 trlgG= -0.146746 logG= -0.028904 TDE= -0.171211 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213022 ETOT(band)= -0.233942 trlgG= -0.292826 logG= -0.056757 TDE= -0.341483 logGD-logG0= -0.009930 tlogG= -0.047920 logG= -0.057850 Density= 0.214063 ETOT(band)= -0.234092 trlgG= -0.294021 logG= -0.057850 TDE= -0.342100 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009425 tlogG= -0.047467 logG= -0.056892 logGD-logG0= -0.009651 tlogG= -0.047179 logG= -0.056830 Density= 0.213862 ETOT(band)= -0.233646 trlgG= -0.292757 logG= -0.056830 TDE= -0.341757 logGD-logG0= -0.009753 tlogG= -0.045610 logG= -0.055363 logGD-logG0= -0.010507 tlogG= -0.047768 logG= -0.058275 Density= 0.214851 ETOT(band)= -0.233980 trlgG= -0.294168 logG= -0.058275 TDE= -0.342212 Density= 0.214461 ETOT(band)= -0.232564 trlgG= -0.290120 logG= -0.055363 TDE= -0.340883 Density= 0.214405 ETOT(band)= -0.233480 trlgG= -0.292889 logG= -0.056892 TDE= -0.342096 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009535 tlogG= -0.047951 logG= -0.057486 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213368 ETOT(band)= -0.234153 trlgG= -0.293470 logG= -0.057486 TDE= -0.341568 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010463 tlogG= -0.048103 logG= -0.058566 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010311 tlogG= -0.048001 logG= -0.058312 Density= 0.215165 ETOT(band)= -0.234035 trlgG= -0.294680 logG= -0.058566 TDE= -0.342589 Density= 0.215167 ETOT(band)= -0.233891 trlgG= -0.294264 logG= -0.058312 TDE= -0.342427 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.048037 logG= -0.058581 Density= 0.215201 ETOT(band)= -0.234027 trlgG= -0.294707 logG= -0.058581 TDE= -0.342619 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008998 Density= 0.035860 ETOT(band)= -0.038561 trlgG= -0.047899 logG= -0.008998 TDE= -0.056646 logGD-logG0= -0.010055 tlogG= -0.048050 logG= -0.058104 Density= 0.214625 ETOT(band)= -0.234003 trlgG= -0.294085 logG= -0.058104 TDE= -0.342188 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010371 tlogG= -0.047808 logG= -0.058179 logGD-logG0= -0.010170 tlogG= -0.047681 logG= -0.057851 Density= 0.214044 ETOT(band)= -0.234079 trlgG= -0.293773 logG= -0.057851 TDE= -0.341842 logGD-logG0= -0.009859 tlogG= -0.045670 logG= -0.055529 Density= 0.215246 ETOT(band)= -0.232293 trlgG= -0.289938 logG= -0.055529 TDE= -0.340923 Density= 0.214750 ETOT(band)= -0.233974 trlgG= -0.293999 logG= -0.058179 TDE= -0.342089 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010529 tlogG= -0.047962 logG= -0.058491 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215990 ETOT(band)= -0.233602 trlgG= -0.294617 logG= -0.058491 TDE= -0.343009 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010397 tlogG= -0.047331 logG= -0.057727 Density= 0.214357 ETOT(band)= -0.233873 trlgG= -0.293250 logG= -0.057727 TDE= -0.341597 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010603 tlogG= -0.047549 logG= -0.058152 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215794 ETOT(band)= -0.233485 trlgG= -0.294055 logG= -0.058152 TDE= -0.342688 logGD-logG0= -0.010657 tlogG= -0.048168 logG= -0.058825 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215517 ETOT(band)= -0.234054 trlgG= -0.295146 logG= -0.058825 TDE= -0.342969 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010171 tlogG= -0.046434 logG= -0.056605 Density= 0.215311 ETOT(band)= -0.232856 trlgG= -0.291570 logG= -0.056605 TDE= -0.341511 logGD-logG0= -0.002464 tlogG= -0.010846 logG= -0.013310 logGD-logG0= -0.010567 tlogG= -0.047444 logG= -0.058011 logGD-logG0= -0.010584 tlogG= -0.047910 logG= -0.058494 Density= 0.054087 ETOT(band)= -0.057569 trlgG= -0.071527 logG= -0.013310 TDE= -0.084982 Density= 0.215562 ETOT(band)= -0.233524 trlgG= -0.293814 logG= -0.058011 TDE= -0.342473 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215861 ETOT(band)= -0.233674 trlgG= -0.294619 logG= -0.058494 TDE= -0.342944 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047175 logG= -0.056986 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009780 tlogG= -0.047245 logG= -0.057025 Density= 0.214572 ETOT(band)= -0.233441 trlgG= -0.292663 logG= -0.057025 TDE= -0.341820 Density= 0.213874 ETOT(band)= -0.233690 trlgG= -0.292548 logG= -0.056986 TDE= -0.341398 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010082 tlogG= -0.047174 logG= -0.057256 Density= 0.215245 ETOT(band)= -0.233257 trlgG= -0.292587 logG= -0.057256 TDE= -0.341845 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010609 tlogG= -0.046902 logG= -0.057511 Density= 0.215524 ETOT(band)= -0.233247 trlgG= -0.293013 logG= -0.057511 TDE= -0.342154 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.021575 logG= -0.026481 Density= 0.108560 ETOT(band)= -0.114839 trlgG= -0.142800 logG= -0.026481 TDE= -0.170039 logGD-logG0= -0.004991 tlogG= -0.021886 logG= -0.026877 Density= 0.108369 ETOT(band)= -0.115205 trlgG= -0.143479 logG= -0.026877 TDE= -0.170228 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005012 tlogG= -0.021705 logG= -0.026717 Density= 0.107980 ETOT(band)= -0.115299 trlgG= -0.143228 logG= -0.026717 TDE= -0.169945 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010019 tlogG= -0.043410 logG= -0.053429 Density= 0.216372 ETOT(band)= -0.230389 trlgG= -0.286435 logG= -0.053429 TDE= -0.340077 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004428 tlogG= -0.023749 logG= -0.028176 Density= 0.213185 ETOT(band)= -0.233492 trlgG= -0.291706 logG= -0.028176 TDE= -0.170748 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.023595 logG= -0.028079 Density= 0.212716 ETOT(band)= -0.233898 trlgG= -0.292679 logG= -0.028079 TDE= -0.170664 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004597 tlogG= -0.023899 logG= -0.028497 Density= 0.213378 ETOT(band)= -0.233769 trlgG= -0.292437 logG= -0.028497 TDE= -0.170752 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001205 tlogG= -0.005310 logG= -0.006515 Density= 0.081593 ETOT(band)= -0.085659 trlgG= -0.106195 logG= -0.006515 TDE= -0.042454 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001693 tlogG= -0.007120 logG= -0.008813 Density= 0.072262 ETOT(band)= -0.076453 trlgG= -0.094827 logG= -0.008813 TDE= -0.056613 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004914 tlogG= -0.022482 logG= -0.027396 Density= 0.215121 ETOT(band)= -0.231578 trlgG= -0.287993 logG= -0.027396 TDE= -0.170149 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021362 logG= -0.026351 Density= 0.217114 ETOT(band)= -0.229102 trlgG= -0.284238 logG= -0.026351 TDE= -0.169865 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004945 tlogG= -0.022302 logG= -0.027247 Density= 0.214360 ETOT(band)= -0.232352 trlgG= -0.289388 logG= -0.027247 TDE= -0.170136 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001258 tlogG= -0.005750 logG= -0.007008 Density= 0.080671 ETOT(band)= -0.087365 trlgG= -0.109592 logG= -0.007008 TDE= -0.042739 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005622 logG= -0.006859 Density= 0.080873 ETOT(band)= -0.086937 trlgG= -0.108590 logG= -0.006859 TDE= -0.042663 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005858 logG= -0.007131 Density= 0.080683 ETOT(band)= -0.087580 trlgG= -0.110147 logG= -0.007131 TDE= -0.042804 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 Density= 0.080867 ETOT(band)= -0.087616 trlgG= -0.110344 logG= -0.007219 TDE= -0.042858 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005986 logG= -0.007262 Density= 0.081096 ETOT(band)= -0.087520 trlgG= -0.110398 logG= -0.007262 TDE= -0.042888 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023893 logG= -0.028804 Density= 0.213883 ETOT(band)= -0.233918 trlgG= -0.292947 logG= -0.028804 TDE= -0.170761 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022450 logG= -0.027566 Density= 0.216464 ETOT(band)= -0.231206 trlgG= -0.288557 logG= -0.027566 TDE= -0.170536 logGD-logG0= -0.004735 tlogG= -0.024016 logG= -0.028751 Density= 0.214214 ETOT(band)= -0.233997 trlgG= -0.294075 logG= -0.028751 TDE= -0.171199 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.024011 logG= -0.029233 Density= 0.215780 ETOT(band)= -0.233774 trlgG= -0.294773 logG= -0.029233 TDE= -0.171546 logGD-logG0= -0.005256 tlogG= -0.023809 logG= -0.029065 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215428 ETOT(band)= -0.233678 trlgG= -0.294119 logG= -0.029065 TDE= -0.171394 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.007968 logG= -0.009399 Density= 0.070899 ETOT(band)= -0.077918 trlgG= -0.097433 logG= -0.009399 TDE= -0.056952 logGD-logG0= -0.005248 tlogG= -0.023494 logG= -0.028742 logGD-logG0= -0.004648 tlogG= -0.023380 logG= -0.028028 Density= 0.215309 ETOT(band)= -0.233243 trlgG= -0.292856 logG= -0.028742 TDE= -0.171137 logGD-logG0= -0.005073 tlogG= -0.023967 logG= -0.029040 Density= 0.214435 ETOT(band)= -0.234006 trlgG= -0.293857 logG= -0.029040 TDE= -0.171032 logGD-logG0= -0.005205 tlogG= -0.023425 logG= -0.028631 Density= 0.216291 ETOT(band)= -0.232577 trlgG= -0.292156 logG= -0.028631 TDE= -0.171157 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.023254 logG= -0.028032 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214279 ETOT(band)= -0.233284 trlgG= -0.292282 logG= -0.028028 TDE= -0.170877 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213595 ETOT(band)= -0.233523 trlgG= -0.292167 logG= -0.028032 TDE= -0.170713 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004829 tlogG= -0.023846 logG= -0.028675 Density= 0.213668 ETOT(band)= -0.234057 trlgG= -0.293684 logG= -0.028675 TDE= -0.171017 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.022978 logG= -0.028156 Density= 0.216319 ETOT(band)= -0.232003 trlgG= -0.290541 logG= -0.028156 TDE= -0.170870 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023366 logG= -0.028796 Density= 0.215202 ETOT(band)= -0.233268 trlgG= -0.292661 logG= -0.028796 TDE= -0.170931 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004293 tlogG= -0.024140 logG= -0.028434 Density= 0.212268 ETOT(band)= -0.234277 trlgG= -0.293626 logG= -0.028434 TDE= -0.170946 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.023982 logG= -0.028553 logGD-logG0= -0.005165 tlogG= -0.023205 logG= -0.028370 Density= 0.212904 ETOT(band)= -0.234177 trlgG= -0.293430 logG= -0.028553 TDE= -0.170801 logGD-logG0= -0.005071 tlogG= -0.023855 logG= -0.028926 logGD-logG0= -0.004768 tlogG= -0.024016 logG= -0.028783 Density= 0.215589 ETOT(band)= -0.233675 trlgG= -0.294222 logG= -0.028926 TDE= -0.171081 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321706 ETOT(band)= -0.350977 trlgG= -0.441259 logG= -0.028783 TDE= -0.171194 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214964 ETOT(band)= -0.232868 trlgG= -0.291167 logG= -0.028370 TDE= -0.170587 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.024010 logG= -0.029196 Density= 0.216448 ETOT(band)= -0.233258 trlgG= -0.294299 logG= -0.029196 TDE= -0.171564 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023377 logG= -0.028057 Density= 0.321778 ETOT(band)= -0.349929 trlgG= -0.438683 logG= -0.028057 TDE= -0.170869 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010401 tlogG= -0.047807 logG= -0.058207 logGD-logG0= -0.005315 tlogG= -0.024132 logG= -0.029447 Density= 0.324490 ETOT(band)= -0.349792 trlgG= -0.440947 logG= -0.058207 TDE= -0.342968 Density= 0.215812 ETOT(band)= -0.233930 trlgG= -0.295188 logG= -0.029447 TDE= -0.171578 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001582 tlogG= -0.006878 logG= -0.008460 logGD-logG0= -0.001187 tlogG= -0.005174 logG= -0.006361 Density= 0.040865 ETOT(band)= -0.042660 trlgG= -0.052790 logG= -0.008460 TDE= -0.056453 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.062568 ETOT(band)= -0.067519 trlgG= -0.084193 logG= -0.006361 TDE= -0.042352 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005039 tlogG= -0.024172 logG= -0.029212 logGD-logG0= -0.005199 tlogG= -0.023772 logG= -0.028971 Density= 0.216371 ETOT(band)= -0.232956 trlgG= -0.293363 logG= -0.028971 TDE= -0.171396 Density= 0.322581 ETOT(band)= -0.351092 trlgG= -0.441937 logG= -0.029212 TDE= -0.171200 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.024167 logG= -0.029180 Density= 0.214835 ETOT(band)= -0.234080 trlgG= -0.294474 logG= -0.029180 TDE= -0.171205 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.048061 logG= -0.058744 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323387 ETOT(band)= -0.350860 trlgG= -0.442286 logG= -0.058744 TDE= -0.342959 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.024095 logG= -0.029339 logGD-logG0= -0.010444 tlogG= -0.046436 logG= -0.056880 Density= 0.323201 ETOT(band)= -0.351067 trlgG= -0.442589 logG= -0.029339 TDE= -0.171392 Density= 0.324137 ETOT(band)= -0.348768 trlgG= -0.437514 logG= -0.056880 TDE= -0.342019 logGD-logG0= -0.010447 tlogG= -0.047256 logG= -0.057703 Density= 0.324273 ETOT(band)= -0.349424 trlgG= -0.439599 logG= -0.057703 TDE= -0.342576 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010171 tlogG= -0.045651 logG= -0.055822 logGD-logG0= -0.009676 tlogG= -0.046625 logG= -0.056301 Density= 0.324186 ETOT(band)= -0.347824 trlgG= -0.434896 logG= -0.055822 TDE= -0.341395 Density= 0.322848 ETOT(band)= -0.348887 trlgG= -0.436327 logG= -0.056301 TDE= -0.341549 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023967 logG= -0.029315 Density= 0.323802 ETOT(band)= -0.350534 trlgG= -0.442032 logG= -0.029315 TDE= -0.171450 logGD-logG0= -0.005363 tlogG= -0.023908 logG= -0.029271 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215740 ETOT(band)= -0.233676 trlgG= -0.294500 logG= -0.029271 TDE= -0.171402 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023255 logG= -0.028281 Density= 0.321845 ETOT(band)= -0.350435 trlgG= -0.439533 logG= -0.028281 TDE= -0.170824 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.022915 logG= -0.027879 logGD-logG0= -0.001224 tlogG= -0.005471 logG= -0.006695 Density= 0.081235 ETOT(band)= -0.086325 trlgG= -0.107353 logG= -0.006695 TDE= -0.042565 logGD-logG0= -0.005179 tlogG= -0.023967 logG= -0.029146 Density= 0.214894 ETOT(band)= -0.232314 trlgG= -0.289637 logG= -0.027879 TDE= -0.170401 Density= 0.216482 ETOT(band)= -0.233155 trlgG= -0.294067 logG= -0.029146 TDE= -0.171537 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009631 tlogG= -0.047859 logG= -0.057489 Density= 0.428225 ETOT(band)= -0.467977 trlgG= -0.587736 logG= -0.057489 TDE= -0.342203 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008945 tlogG= -0.048114 logG= -0.057059 logGD-logG0= -0.005410 tlogG= -0.023694 logG= -0.029104 Density= 0.215502 ETOT(band)= -0.233527 trlgG= -0.293802 logG= -0.029104 TDE= -0.171224 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425727 ETOT(band)= -0.468152 trlgG= -0.586345 logG= -0.057059 TDE= -0.341717 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007591 logG= -0.009162 Density= 0.071530 ETOT(band)= -0.077318 trlgG= -0.096137 logG= -0.009162 TDE= -0.056727 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010134 tlogG= -0.048169 logG= -0.058303 Density= 0.429489 ETOT(band)= -0.468093 trlgG= -0.588508 logG= -0.058303 TDE= -0.342251 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.046732 logG= -0.056170 Density= 0.428088 ETOT(band)= -0.465950 trlgG= -0.581733 logG= -0.056170 TDE= -0.341157 logGD-logG0= -0.010243 tlogG= -0.047688 logG= -0.057932 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428480 ETOT(band)= -0.467961 trlgG= -0.587067 logG= -0.057932 TDE= -0.341844 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010268 tlogG= -0.048242 logG= -0.058510 logGD-logG0= -0.004907 tlogG= -0.021312 logG= -0.026219 Density= 0.162719 ETOT(band)= -0.172928 trlgG= -0.215884 logG= -0.026219 TDE= -0.169852 Density= 0.430224 ETOT(band)= -0.468101 trlgG= -0.589276 logG= -0.058510 TDE= -0.342463 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010478 tlogG= -0.048092 logG= -0.058570 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430330 ETOT(band)= -0.467931 trlgG= -0.588949 logG= -0.058570 TDE= -0.342588 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010303 tlogG= -0.047977 logG= -0.058280 Density= 0.429392 ETOT(band)= -0.468055 trlgG= -0.588151 logG= -0.058280 TDE= -0.342088 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009494 tlogG= -0.046627 logG= -0.056121 Density= 0.428288 ETOT(band)= -0.466674 trlgG= -0.584342 logG= -0.056121 TDE= -0.341573 logGD-logG0= -0.004792 tlogG= -0.022337 logG= -0.027129 Density= 0.215125 ETOT(band)= -0.231868 trlgG= -0.289038 logG= -0.027129 TDE= -0.170223 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009637 tlogG= -0.047671 logG= -0.057307 Density= 0.426862 ETOT(band)= -0.468184 trlgG= -0.586863 logG= -0.057307 TDE= -0.341734 logGD-logG0= -0.009807 tlogG= -0.047874 logG= -0.057681 Density= 0.429323 ETOT(band)= -0.467757 trlgG= -0.587714 logG= -0.057681 TDE= -0.342191 logGD-logG0= -0.010751 tlogG= -0.047713 logG= -0.058464 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431280 ETOT(band)= -0.467301 trlgG= -0.588598 logG= -0.058464 TDE= -0.342712 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010647 tlogG= -0.047751 logG= -0.058398 Density= 0.430938 ETOT(band)= -0.467357 trlgG= -0.588238 logG= -0.058398 TDE= -0.342605 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009923 tlogG= -0.046420 logG= -0.056343 Density= 0.429724 ETOT(band)= -0.465386 trlgG= -0.581416 logG= -0.056343 TDE= -0.341269 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009987 tlogG= -0.047579 logG= -0.057566 logGD-logG0= -0.010676 tlogG= -0.048038 logG= -0.058714 Density= 0.431519 ETOT(band)= -0.467585 trlgG= -0.589592 logG= -0.058714 TDE= -0.342977 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428797 ETOT(band)= -0.467307 trlgG= -0.586109 logG= -0.057566 TDE= -0.341889 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010307 tlogG= -0.046951 logG= -0.057258 Density= 0.430070 ETOT(band)= -0.466303 trlgG= -0.584111 logG= -0.057258 TDE= -0.341557 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010231 tlogG= -0.047591 logG= -0.057822 Density= 0.430197 ETOT(band)= -0.466951 trlgG= -0.586041 logG= -0.057822 TDE= -0.342002 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.022337 logG= -0.027170 Density= 0.323017 ETOT(band)= -0.347856 trlgG= -0.433938 logG= -0.027170 TDE= -0.170218 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010706 tlogG= -0.047290 logG= -0.057995 Density= 0.430669 ETOT(band)= -0.466931 trlgG= -0.586765 logG= -0.057995 TDE= -0.342221 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047790 logG= -0.057380 Density= 0.427367 ETOT(band)= -0.467736 trlgG= -0.585717 logG= -0.057380 TDE= -0.341436 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.044643 logG= -0.054607 Density= 0.324429 ETOT(band)= -0.346556 trlgG= -0.431887 logG= -0.054607 TDE= -0.340718 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.021890 logG= -0.026968 Density= 0.216720 ETOT(band)= -0.230209 trlgG= -0.286441 logG= -0.026968 TDE= -0.170197 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004948 tlogG= -0.021217 logG= -0.026165 Density= 0.216442 ETOT(band)= -0.229960 trlgG= -0.285492 logG= -0.026165 TDE= -0.169771 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009811 tlogG= -0.044645 logG= -0.054456 Density= 0.431800 ETOT(band)= -0.461920 trlgG= -0.574641 logG= -0.054456 TDE= -0.340354 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.701036115449 eV TrLogG= -407.262256464197 eV Ratio to renormalize= 0.999589849589 rho-rho_expected= 0.009027011470 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964585119689624 0.940261563032865 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011453 logG= -0.013786 Density= 0.053761 ETOT(band)= -0.058048 trlgG= -0.072486 logG= -0.013786 TDE= -0.085303 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002325 tlogG= -0.011889 logG= -0.014214 Density= 0.053585 ETOT(band)= -0.058379 trlgG= -0.073250 logG= -0.014214 TDE= -0.085552 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.024056 logG= -0.028599 Density= 0.106436 ETOT(band)= -0.117105 trlgG= -0.146764 logG= -0.028599 TDE= -0.170835 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023227 logG= -0.028326 Density= 0.108241 ETOT(band)= -0.116162 trlgG= -0.145840 logG= -0.028326 TDE= -0.171076 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023679 logG= -0.028358 Density= 0.106646 ETOT(band)= -0.116912 trlgG= -0.146348 logG= -0.028358 TDE= -0.170765 logGD-logG0= -0.004881 tlogG= -0.024079 logG= -0.028961 Density= 0.107103 ETOT(band)= -0.117050 trlgG= -0.147132 logG= -0.028961 TDE= -0.171171 logGD-logG0= -0.004709 tlogG= -0.023697 logG= -0.028406 Density= 0.107023 ETOT(band)= -0.116796 trlgG= -0.146455 logG= -0.028406 TDE= -0.171010 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002464 tlogG= -0.010846 logG= -0.013311 Density= 0.054087 ETOT(band)= -0.057570 trlgG= -0.071529 logG= -0.013311 TDE= -0.084983 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001486 tlogG= -0.007814 logG= -0.009300 Density= 0.035509 ETOT(band)= -0.038909 trlgG= -0.048596 logG= -0.009300 TDE= -0.056868 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004347 tlogG= -0.023984 logG= -0.028330 Density= 0.106218 ETOT(band)= -0.117072 trlgG= -0.146641 logG= -0.028330 TDE= -0.170872 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022419 logG= -0.027433 logGD-logG0= -0.004622 tlogG= -0.023215 logG= -0.027837 Density= 0.106786 ETOT(band)= -0.116574 trlgG= -0.145436 logG= -0.027837 TDE= -0.170441 Density= 0.107683 ETOT(band)= -0.115920 trlgG= -0.144414 logG= -0.027433 TDE= -0.170268 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004731 trlgG= -0.005851 logG= -0.001049 TDE= -0.007051 logGD-logG0= -0.001625 tlogG= -0.006996 logG= -0.008621 Density= 0.036212 ETOT(band)= -0.038114 trlgG= -0.047241 logG= -0.008621 TDE= -0.056539 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001404 tlogG= -0.008048 logG= -0.009452 Density= 0.035329 ETOT(band)= -0.039060 trlgG= -0.048960 logG= -0.009452 TDE= -0.056991 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002603 tlogG= -0.012038 logG= -0.014640 Density= 0.053786 ETOT(band)= -0.058512 trlgG= -0.073669 logG= -0.014640 TDE= -0.085645 logGD-logG0= -0.004320 tlogG= -0.024061 logG= -0.028380 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106166 ETOT(band)= -0.117116 trlgG= -0.146754 logG= -0.028380 TDE= -0.170910 logGD-logG0= -0.004905 tlogG= -0.021576 logG= -0.026482 Density= 0.108560 ETOT(band)= -0.114841 trlgG= -0.142802 logG= -0.026482 TDE= -0.170042 logGD-logG0= -0.002420 tlogG= -0.012087 logG= -0.014508 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.053608 ETOT(band)= -0.058523 trlgG= -0.073612 logG= -0.014508 TDE= -0.085632 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004710 tlogG= -0.022999 logG= -0.027709 Density= 0.106922 ETOT(band)= -0.116444 trlgG= -0.145173 logG= -0.027709 TDE= -0.170375 logGD-logG0= -0.002560 tlogG= -0.011990 logG= -0.014550 Density= 0.054161 ETOT(band)= -0.058276 trlgG= -0.073534 logG= -0.014550 TDE= -0.085786 logGD-logG0= -0.004734 tlogG= -0.023510 logG= -0.028244 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106822 ETOT(band)= -0.116766 trlgG= -0.145920 logG= -0.028244 TDE= -0.170537 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023775 logG= -0.028928 Density= 0.108224 ETOT(band)= -0.116501 trlgG= -0.146794 logG= -0.028928 TDE= -0.171421 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.021829 logG= -0.026900 logGD-logG0= -0.005106 tlogG= -0.022994 logG= -0.028100 Density= 0.107838 ETOT(band)= -0.115492 trlgG= -0.143540 logG= -0.026900 TDE= -0.170004 Density= 0.108182 ETOT(band)= -0.116068 trlgG= -0.145484 logG= -0.028100 TDE= -0.170918 logGD-logG0= -0.002629 tlogG= -0.011993 logG= -0.014622 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054006 ETOT(band)= -0.058396 trlgG= -0.073654 logG= -0.014622 TDE= -0.085757 logGD-logG0= -0.004956 tlogG= -0.022182 logG= -0.027138 logGD-logG0= -0.005280 tlogG= -0.024082 logG= -0.029362 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107689 ETOT(band)= -0.117025 trlgG= -0.147485 logG= -0.029362 TDE= -0.171412 Density= 0.108406 ETOT(band)= -0.115390 trlgG= -0.143930 logG= -0.027138 TDE= -0.170437 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023442 logG= -0.028590 logGD-logG0= -0.005140 tlogG= -0.023961 logG= -0.029101 Density= 0.108177 ETOT(band)= -0.116339 trlgG= -0.146258 logG= -0.028590 TDE= -0.171200 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108275 ETOT(band)= -0.116575 trlgG= -0.147072 logG= -0.029101 TDE= -0.171551 logGD-logG0= -0.005290 tlogG= -0.024098 logG= -0.029388 Density= 0.107934 ETOT(band)= -0.116934 trlgG= -0.147549 logG= -0.029388 TDE= -0.171572 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.024103 logG= -0.029098 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107426 ETOT(band)= -0.116989 trlgG= -0.147107 logG= -0.029098 TDE= -0.171169 logGD-logG0= -0.005038 tlogG= -0.022469 logG= -0.027507 logGD-logG0= -0.005313 tlogG= -0.023914 logG= -0.029226 logGD-logG0= -0.005012 tlogG= -0.021705 logG= -0.026717 Density= 0.107981 ETOT(band)= -0.115300 trlgG= -0.143231 logG= -0.026717 TDE= -0.169948 Density= 0.108250 ETOT(band)= -0.115696 trlgG= -0.144537 logG= -0.027507 TDE= -0.170598 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107798 ETOT(band)= -0.116892 trlgG= -0.147270 logG= -0.029226 TDE= -0.171388 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023617 logG= -0.028746 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023883 logG= -0.029010 Density= 0.108296 ETOT(band)= -0.116511 trlgG= -0.146923 logG= -0.029010 TDE= -0.171504 Density= 0.108250 ETOT(band)= -0.116385 trlgG= -0.146503 logG= -0.028746 TDE= -0.171324 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.023654 logG= -0.028652 logGD-logG0= -0.005287 tlogG= -0.023695 logG= -0.028982 Density= 0.107279 ETOT(band)= -0.116957 trlgG= -0.146814 logG= -0.028982 TDE= -0.170920 Density= 0.107026 ETOT(band)= -0.116885 trlgG= -0.146263 logG= -0.028652 TDE= -0.170574 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.022861 logG= -0.027726 Density= 0.107795 ETOT(band)= -0.116050 trlgG= -0.144899 logG= -0.027726 TDE= -0.170515 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.022886 logG= -0.027999 Density= 0.107664 ETOT(band)= -0.116254 trlgG= -0.145310 logG= -0.027999 TDE= -0.170589 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.022746 logG= -0.027779 logGD-logG0= -0.005323 tlogG= -0.024144 logG= -0.029467 Density= 0.108295 ETOT(band)= -0.115833 trlgG= -0.144973 logG= -0.027779 TDE= -0.170784 Density= 0.107857 ETOT(band)= -0.117022 trlgG= -0.147674 logG= -0.029467 TDE= -0.171581 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007308 logG= -0.008999 logGD-logG0= -0.004902 tlogG= -0.023904 logG= -0.028806 logGD-logG0= -0.002404 tlogG= -0.010432 logG= -0.012836 Density= 0.106804 ETOT(band)= -0.117067 trlgG= -0.146876 logG= -0.028806 TDE= -0.170922 Density= 0.054401 ETOT(band)= -0.057054 trlgG= -0.070683 logG= -0.012836 TDE= -0.084768 logGD-logG0= -0.005230 tlogG= -0.023978 logG= -0.029208 Density= 0.035860 ETOT(band)= -0.038561 trlgG= -0.047900 logG= -0.008999 TDE= -0.056647 Density= 0.107491 ETOT(band)= -0.117011 trlgG= -0.147210 logG= -0.029208 TDE= -0.171194 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004831 tlogG= -0.023699 logG= -0.028530 logGD-logG0= -0.005303 tlogG= -0.023208 logG= -0.028511 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.022862 logG= -0.027604 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107426 ETOT(band)= -0.116679 trlgG= -0.146366 logG= -0.028530 TDE= -0.170995 Density= 0.107346 ETOT(band)= -0.116192 trlgG= -0.145023 logG= -0.027604 TDE= -0.170539 Density= 0.107730 ETOT(band)= -0.116502 trlgG= -0.146120 logG= -0.028511 TDE= -0.170919 logGD-logG0= -0.005276 tlogG= -0.023881 logG= -0.029158 Density= 0.107963 ETOT(band)= -0.116761 trlgG= -0.147164 logG= -0.029158 TDE= -0.171432 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.024069 logG= -0.029335 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107994 ETOT(band)= -0.116867 trlgG= -0.147461 logG= -0.029335 TDE= -0.171567 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.023591 logG= -0.028904 logGD-logG0= -0.009785 tlogG= -0.048265 logG= -0.058050 Density= 0.107847 ETOT(band)= -0.116664 trlgG= -0.146749 logG= -0.028904 TDE= -0.171213 Density= 0.214496 ETOT(band)= -0.234059 trlgG= -0.294340 logG= -0.058050 TDE= -0.342433 logGD-logG0= -0.009474 tlogG= -0.045782 logG= -0.055256 Density= 0.215115 ETOT(band)= -0.232220 trlgG= -0.289950 logG= -0.055256 TDE= -0.341143 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009106 tlogG= -0.047651 logG= -0.056758 Density= 0.213023 ETOT(band)= -0.233946 trlgG= -0.292831 logG= -0.056758 TDE= -0.341488 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009650 tlogG= -0.047180 logG= -0.056831 Density= 0.213863 ETOT(band)= -0.233650 trlgG= -0.292762 logG= -0.056831 TDE= -0.341761 logGD-logG0= -0.009752 tlogG= -0.045612 logG= -0.055364 Density= 0.214462 ETOT(band)= -0.232567 trlgG= -0.290125 logG= -0.055364 TDE= -0.340888 logGD-logG0= -0.009930 tlogG= -0.047922 logG= -0.057851 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214064 ETOT(band)= -0.234096 trlgG= -0.294026 logG= -0.057851 TDE= -0.342105 logGD-logG0= -0.010507 tlogG= -0.047769 logG= -0.058276 Density= 0.214853 ETOT(band)= -0.233984 trlgG= -0.294173 logG= -0.058276 TDE= -0.342217 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009424 tlogG= -0.047469 logG= -0.056893 logGD-logG0= -0.009535 tlogG= -0.047952 logG= -0.057487 Density= 0.214407 ETOT(band)= -0.233483 trlgG= -0.292894 logG= -0.056893 TDE= -0.342101 Density= 0.213369 ETOT(band)= -0.234156 trlgG= -0.293475 logG= -0.057487 TDE= -0.341573 logGD-logG0= -0.009810 tlogG= -0.047177 logG= -0.056987 logGD-logG0= -0.010462 tlogG= -0.048104 logG= -0.058567 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213875 ETOT(band)= -0.233694 trlgG= -0.292554 logG= -0.056987 TDE= -0.341403 Density= 0.215166 ETOT(band)= -0.234039 trlgG= -0.294685 logG= -0.058567 TDE= -0.342593 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010543 tlogG= -0.048038 logG= -0.058582 logGD-logG0= -0.010371 tlogG= -0.047809 logG= -0.058180 Density= 0.214752 ETOT(band)= -0.233977 trlgG= -0.294004 logG= -0.058180 TDE= -0.342093 logGD-logG0= -0.010311 tlogG= -0.048003 logG= -0.058314 Density= 0.215168 ETOT(band)= -0.233894 trlgG= -0.294269 logG= -0.058314 TDE= -0.342432 logGD-logG0= -0.010602 tlogG= -0.047551 logG= -0.058153 Density= 0.215203 ETOT(band)= -0.234030 trlgG= -0.294712 logG= -0.058582 TDE= -0.342624 logGD-logG0= -0.010054 tlogG= -0.048051 logG= -0.058105 Density= 0.214627 ETOT(band)= -0.234006 trlgG= -0.294090 logG= -0.058105 TDE= -0.342192 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215796 ETOT(band)= -0.233488 trlgG= -0.294060 logG= -0.058153 TDE= -0.342693 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010528 tlogG= -0.047964 logG= -0.058492 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215991 ETOT(band)= -0.233605 trlgG= -0.294623 logG= -0.058492 TDE= -0.343014 logGD-logG0= -0.009858 tlogG= -0.045672 logG= -0.055530 Density= 0.215247 ETOT(band)= -0.232296 trlgG= -0.289943 logG= -0.055530 TDE= -0.340927 logGD-logG0= -0.010169 tlogG= -0.047682 logG= -0.057852 Density= 0.214045 ETOT(band)= -0.234082 trlgG= -0.293778 logG= -0.057852 TDE= -0.341847 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.048170 logG= -0.058826 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215518 ETOT(band)= -0.234057 trlgG= -0.295151 logG= -0.058826 TDE= -0.342974 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010397 tlogG= -0.047332 logG= -0.057729 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214358 ETOT(band)= -0.233876 trlgG= -0.293255 logG= -0.057729 TDE= -0.341601 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.046436 logG= -0.056606 logGD-logG0= -0.010566 tlogG= -0.047446 logG= -0.058012 Density= 0.215312 ETOT(band)= -0.232859 trlgG= -0.291575 logG= -0.056606 TDE= -0.341516 Density= 0.215563 ETOT(band)= -0.233528 trlgG= -0.293819 logG= -0.058012 TDE= -0.342478 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009779 tlogG= -0.047246 logG= -0.057026 Density= 0.214573 ETOT(band)= -0.233445 trlgG= -0.292669 logG= -0.057026 TDE= -0.341824 logGD-logG0= -0.010609 tlogG= -0.046903 logG= -0.057512 logGD-logG0= -0.010583 tlogG= -0.047912 logG= -0.058495 Density= 0.215525 ETOT(band)= -0.233251 trlgG= -0.293018 logG= -0.057512 TDE= -0.342159 Density= 0.215863 ETOT(band)= -0.233677 trlgG= -0.294624 logG= -0.058495 TDE= -0.342949 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010082 tlogG= -0.047175 logG= -0.057257 Density= 0.215247 ETOT(band)= -0.233261 trlgG= -0.292592 logG= -0.057257 TDE= -0.341849 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.021887 logG= -0.026878 Density= 0.108370 ETOT(band)= -0.115206 trlgG= -0.143481 logG= -0.026878 TDE= -0.170230 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004825 tlogG= -0.021001 logG= -0.025826 Density= 0.108757 ETOT(band)= -0.114253 trlgG= -0.141646 logG= -0.025826 TDE= -0.169638 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010019 tlogG= -0.043412 logG= -0.053430 Density= 0.216374 ETOT(band)= -0.230393 trlgG= -0.286440 logG= -0.053430 TDE= -0.340082 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005622 logG= -0.006859 Density= 0.080873 ETOT(band)= -0.086938 trlgG= -0.108592 logG= -0.006859 TDE= -0.042663 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005751 logG= -0.007008 Density= 0.080672 ETOT(band)= -0.087367 trlgG= -0.109594 logG= -0.007008 TDE= -0.042739 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.023426 logG= -0.028631 logGD-logG0= -0.004571 tlogG= -0.023983 logG= -0.028554 Density= 0.216292 ETOT(band)= -0.232580 trlgG= -0.292161 logG= -0.028631 TDE= -0.171160 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212905 ETOT(band)= -0.234181 trlgG= -0.293435 logG= -0.028554 TDE= -0.170803 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024017 logG= -0.028752 Density= 0.214216 ETOT(band)= -0.234001 trlgG= -0.294081 logG= -0.028752 TDE= -0.171201 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.023255 logG= -0.028033 Density= 0.213596 ETOT(band)= -0.233527 trlgG= -0.292172 logG= -0.028033 TDE= -0.170715 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023381 logG= -0.028029 Density= 0.214280 ETOT(band)= -0.233288 trlgG= -0.292288 logG= -0.028029 TDE= -0.170880 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005471 logG= -0.006695 Density= 0.081236 ETOT(band)= -0.086327 trlgG= -0.107355 logG= -0.006695 TDE= -0.042566 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001431 tlogG= -0.007969 logG= -0.009399 Density= 0.070900 ETOT(band)= -0.077919 trlgG= -0.097435 logG= -0.009399 TDE= -0.056952 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.023596 logG= -0.028079 Density= 0.212717 ETOT(band)= -0.233902 trlgG= -0.292684 logG= -0.028079 TDE= -0.170666 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.022915 logG= -0.027879 Density= 0.214896 ETOT(band)= -0.232317 trlgG= -0.289642 logG= -0.027879 TDE= -0.170403 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004427 tlogG= -0.023750 logG= -0.028177 Density= 0.213186 ETOT(band)= -0.233496 trlgG= -0.291711 logG= -0.028177 TDE= -0.170751 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001693 tlogG= -0.007121 logG= -0.008813 Density= 0.072262 ETOT(band)= -0.076455 trlgG= -0.094828 logG= -0.008813 TDE= -0.056614 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004914 tlogG= -0.022483 logG= -0.027397 Density= 0.215123 ETOT(band)= -0.231582 trlgG= -0.287998 logG= -0.027397 TDE= -0.170152 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.021891 logG= -0.026969 Density= 0.216722 ETOT(band)= -0.230212 trlgG= -0.286446 logG= -0.026969 TDE= -0.170199 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004293 tlogG= -0.024141 logG= -0.028434 Density= 0.212269 ETOT(band)= -0.234281 trlgG= -0.293631 logG= -0.028434 TDE= -0.170948 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001187 tlogG= -0.005174 logG= -0.006361 logGD-logG0= -0.004597 tlogG= -0.023900 logG= -0.028497 Density= 0.062568 ETOT(band)= -0.067520 trlgG= -0.084194 logG= -0.006361 TDE= -0.042353 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213379 ETOT(band)= -0.233772 trlgG= -0.292442 logG= -0.028497 TDE= -0.170755 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001582 tlogG= -0.006878 logG= -0.008460 Density= 0.040866 ETOT(band)= -0.042660 trlgG= -0.052791 logG= -0.008460 TDE= -0.056454 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004948 tlogG= -0.021218 logG= -0.026166 Density= 0.216443 ETOT(band)= -0.229963 trlgG= -0.285497 logG= -0.026166 TDE= -0.169773 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001277 tlogG= -0.005942 logG= -0.007219 Density= 0.080867 ETOT(band)= -0.087617 trlgG= -0.110346 logG= -0.007219 TDE= -0.042859 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007591 logG= -0.009163 Density= 0.071531 ETOT(band)= -0.077319 trlgG= -0.096139 logG= -0.009163 TDE= -0.056728 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005986 logG= -0.007262 logGD-logG0= -0.001272 tlogG= -0.005858 logG= -0.007131 Density= 0.080684 ETOT(band)= -0.087582 trlgG= -0.110149 logG= -0.007131 TDE= -0.042805 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081096 ETOT(band)= -0.087521 trlgG= -0.110400 logG= -0.007262 TDE= -0.042889 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.024012 logG= -0.029234 Density= 0.215781 ETOT(band)= -0.233777 trlgG= -0.294778 logG= -0.029234 TDE= -0.171549 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001205 tlogG= -0.005310 logG= -0.006515 Density= 0.081593 ETOT(band)= -0.085660 trlgG= -0.106197 logG= -0.006515 TDE= -0.042454 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005255 tlogG= -0.023810 logG= -0.029066 Density= 0.215429 ETOT(band)= -0.233682 trlgG= -0.294124 logG= -0.029066 TDE= -0.171396 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024133 logG= -0.029447 Density= 0.215813 ETOT(band)= -0.233933 trlgG= -0.295193 logG= -0.029447 TDE= -0.171581 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.023856 logG= -0.028927 Density= 0.215591 ETOT(band)= -0.233678 trlgG= -0.294227 logG= -0.028927 TDE= -0.171084 logGD-logG0= -0.005248 tlogG= -0.023494 logG= -0.028742 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215310 ETOT(band)= -0.233247 trlgG= -0.292861 logG= -0.028742 TDE= -0.171139 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.024016 logG= -0.028784 logGD-logG0= -0.005185 tlogG= -0.024011 logG= -0.029196 Density= 0.321708 ETOT(band)= -0.350982 trlgG= -0.441267 logG= -0.028784 TDE= -0.171197 Density= 0.216450 ETOT(band)= -0.233262 trlgG= -0.294304 logG= -0.029196 TDE= -0.171566 logGD-logG0= -0.004945 tlogG= -0.022303 logG= -0.027247 Density= 0.214361 ETOT(band)= -0.232356 trlgG= -0.289393 logG= -0.027247 TDE= -0.170138 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023378 logG= -0.028058 logGD-logG0= -0.005116 tlogG= -0.022451 logG= -0.027567 Density= 0.321780 ETOT(band)= -0.349934 trlgG= -0.438690 logG= -0.028058 TDE= -0.170872 Density= 0.216465 ETOT(band)= -0.231209 trlgG= -0.288562 logG= -0.027567 TDE= -0.170539 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.048063 logG= -0.058745 Density= 0.323389 ETOT(band)= -0.350865 trlgG= -0.442294 logG= -0.058745 TDE= -0.342964 logGD-logG0= -0.010400 tlogG= -0.047809 logG= -0.058208 Density= 0.324493 ETOT(band)= -0.349797 trlgG= -0.440954 logG= -0.058208 TDE= -0.342972 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.023967 logG= -0.029040 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.024173 logG= -0.029212 Density= 0.214436 ETOT(band)= -0.234010 trlgG= -0.293862 logG= -0.029040 TDE= -0.171034 Density= 0.322583 ETOT(band)= -0.351097 trlgG= -0.441945 logG= -0.029212 TDE= -0.171203 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.024095 logG= -0.029340 Density= 0.323204 ETOT(band)= -0.351072 trlgG= -0.442596 logG= -0.029340 TDE= -0.171394 logGD-logG0= -0.005179 tlogG= -0.023968 logG= -0.029146 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216483 ETOT(band)= -0.233158 trlgG= -0.294072 logG= -0.029146 TDE= -0.171539 logGD-logG0= -0.004911 tlogG= -0.023893 logG= -0.028804 Density= 0.213885 ETOT(band)= -0.233922 trlgG= -0.292952 logG= -0.028804 TDE= -0.170764 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023773 logG= -0.028971 Density= 0.216373 ETOT(band)= -0.232960 trlgG= -0.293368 logG= -0.028971 TDE= -0.171398 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023909 logG= -0.029271 Density= 0.215741 ETOT(band)= -0.233679 trlgG= -0.294505 logG= -0.029271 TDE= -0.171404 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.022979 logG= -0.028156 Density= 0.216320 ETOT(band)= -0.232006 trlgG= -0.290546 logG= -0.028156 TDE= -0.170873 logGD-logG0= -0.010443 tlogG= -0.046437 logG= -0.056881 logGD-logG0= -0.005347 tlogG= -0.023968 logG= -0.029315 Density= 0.323804 ETOT(band)= -0.350539 trlgG= -0.442039 logG= -0.029315 TDE= -0.171453 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324139 ETOT(band)= -0.348773 trlgG= -0.437522 logG= -0.056881 TDE= -0.342024 logGD-logG0= -0.010446 tlogG= -0.047258 logG= -0.057704 Density= 0.324275 ETOT(band)= -0.349429 trlgG= -0.439606 logG= -0.057704 TDE= -0.342580 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023256 logG= -0.028282 Density= 0.321847 ETOT(band)= -0.350440 trlgG= -0.439541 logG= -0.028282 TDE= -0.170826 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009675 tlogG= -0.046627 logG= -0.056302 Density= 0.322850 ETOT(band)= -0.348892 trlgG= -0.436335 logG= -0.056302 TDE= -0.341553 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.045653 logG= -0.055823 Density= 0.324188 ETOT(band)= -0.347830 trlgG= -0.434904 logG= -0.055823 TDE= -0.341400 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023695 logG= -0.029105 Density= 0.215503 ETOT(band)= -0.233531 trlgG= -0.293807 logG= -0.029105 TDE= -0.171227 logGD-logG0= -0.005165 tlogG= -0.023206 logG= -0.028370 logGD-logG0= -0.008945 tlogG= -0.048116 logG= -0.057060 logGD-logG0= -0.004829 tlogG= -0.023847 logG= -0.028676 Density= 0.213669 ETOT(band)= -0.234060 trlgG= -0.293689 logG= -0.028676 TDE= -0.171019 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214965 ETOT(band)= -0.232872 trlgG= -0.291172 logG= -0.028370 TDE= -0.170589 Density= 0.425729 ETOT(band)= -0.468160 trlgG= -0.586355 logG= -0.057060 TDE= -0.341721 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009630 tlogG= -0.047861 logG= -0.057490 logGD-logG0= -0.005430 tlogG= -0.023366 logG= -0.028797 Density= 0.428228 ETOT(band)= -0.467984 trlgG= -0.587746 logG= -0.057490 TDE= -0.342208 Density= 0.215203 ETOT(band)= -0.233272 trlgG= -0.292666 logG= -0.028797 TDE= -0.170933 logGD-logG0= -0.010134 tlogG= -0.048170 logG= -0.058304 Density= 0.429491 ETOT(band)= -0.468100 trlgG= -0.588518 logG= -0.058304 TDE= -0.342255 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.046733 logG= -0.056171 Density= 0.428090 ETOT(band)= -0.465957 trlgG= -0.581744 logG= -0.056171 TDE= -0.341161 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.021313 logG= -0.026220 Density= 0.162720 ETOT(band)= -0.172931 trlgG= -0.215887 logG= -0.026220 TDE= -0.169854 logGD-logG0= -0.009494 tlogG= -0.046628 logG= -0.056122 logGD-logG0= -0.010750 tlogG= -0.047715 logG= -0.058465 Density= 0.431282 ETOT(band)= -0.467308 trlgG= -0.588608 logG= -0.058465 TDE= -0.342717 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010302 tlogG= -0.047979 logG= -0.058281 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429395 ETOT(band)= -0.468062 trlgG= -0.588162 logG= -0.058281 TDE= -0.342093 Density= 0.428291 ETOT(band)= -0.466681 trlgG= -0.584352 logG= -0.056122 TDE= -0.341578 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.024168 logG= -0.029181 Density= 0.214836 ETOT(band)= -0.234084 trlgG= -0.294479 logG= -0.029181 TDE= -0.171207 logGD-logG0= -0.010267 tlogG= -0.048244 logG= -0.058511 Density= 0.430226 ETOT(band)= -0.468107 trlgG= -0.589286 logG= -0.058511 TDE= -0.342467 logGD-logG0= -0.010243 tlogG= -0.047690 logG= -0.057933 Density= 0.428483 ETOT(band)= -0.467968 trlgG= -0.587077 logG= -0.057933 TDE= -0.341849 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009807 tlogG= -0.047875 logG= -0.057682 Density= 0.429326 ETOT(band)= -0.467764 trlgG= -0.587723 logG= -0.057682 TDE= -0.342196 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009637 tlogG= -0.047672 logG= -0.057308 Density= 0.426864 ETOT(band)= -0.468192 trlgG= -0.586874 logG= -0.057308 TDE= -0.341739 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010478 tlogG= -0.048094 logG= -0.058571 Density= 0.430333 ETOT(band)= -0.467938 trlgG= -0.588959 logG= -0.058571 TDE= -0.342593 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047791 logG= -0.057381 logGD-logG0= -0.010646 tlogG= -0.047752 logG= -0.058399 Density= 0.430941 ETOT(band)= -0.467364 trlgG= -0.588248 logG= -0.058399 TDE= -0.342610 Density= 0.427370 ETOT(band)= -0.467743 trlgG= -0.585728 logG= -0.057381 TDE= -0.341441 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009923 tlogG= -0.046422 logG= -0.056345 Density= 0.429726 ETOT(band)= -0.465393 trlgG= -0.581426 logG= -0.056345 TDE= -0.341274 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010306 tlogG= -0.046953 logG= -0.057259 Density= 0.430072 ETOT(band)= -0.466310 trlgG= -0.584122 logG= -0.057259 TDE= -0.341561 logGD-logG0= -0.009986 tlogG= -0.047581 logG= -0.057567 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428799 ETOT(band)= -0.467314 trlgG= -0.586120 logG= -0.057567 TDE= -0.341894 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.022338 logG= -0.027171 Density= 0.323018 ETOT(band)= -0.347861 trlgG= -0.433945 logG= -0.027171 TDE= -0.170220 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010675 tlogG= -0.048040 logG= -0.058715 Density= 0.431522 ETOT(band)= -0.467591 trlgG= -0.589602 logG= -0.058715 TDE= -0.342982 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.047291 logG= -0.057996 Density= 0.430672 ETOT(band)= -0.466938 trlgG= -0.586776 logG= -0.057996 TDE= -0.342226 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010231 tlogG= -0.047592 logG= -0.057823 Density= 0.430200 ETOT(band)= -0.466958 trlgG= -0.586051 logG= -0.057823 TDE= -0.342006 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.044644 logG= -0.054608 Density= 0.324431 ETOT(band)= -0.346561 trlgG= -0.431894 logG= -0.054608 TDE= -0.340723 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.022338 logG= -0.027130 Density= 0.215126 ETOT(band)= -0.231871 trlgG= -0.289043 logG= -0.027130 TDE= -0.170225 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004989 tlogG= -0.021363 logG= -0.026352 Density= 0.217116 ETOT(band)= -0.229106 trlgG= -0.284243 logG= -0.026352 TDE= -0.169867 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009811 tlogG= -0.044646 logG= -0.054457 Density= 0.431802 ETOT(band)= -0.461927 trlgG= -0.574651 logG= -0.054457 TDE= -0.340359 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.705855696599 eV TrLogG= -407.270134407278 eV Ratio to renormalize= 0.999584080825 rho-rho_expected= 0.009154029181 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 67) Finished k-point number 136 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 76) Finished k-point number 154 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964488030063856 0.940068735480993 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001487 tlogG= -0.007807 logG= -0.009294 Density= 0.035505 ETOT(band)= -0.038892 trlgG= -0.048572 logG= -0.009294 TDE= -0.056847 logGD-logG0= -0.001405 tlogG= -0.008040 logG= -0.009445 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035325 ETOT(band)= -0.039042 trlgG= -0.048935 logG= -0.009445 TDE= -0.056971 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004349 tlogG= -0.023963 logG= -0.028311 Density= 0.106206 ETOT(band)= -0.117020 trlgG= -0.146567 logG= -0.028311 TDE= -0.170812 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.022396 logG= -0.027416 Density= 0.107669 ETOT(band)= -0.115872 trlgG= -0.144341 logG= -0.027416 TDE= -0.170205 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.023490 logG= -0.028226 Density= 0.106809 ETOT(band)= -0.116715 trlgG= -0.145849 logG= -0.028226 TDE= -0.170478 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001628 tlogG= -0.006987 logG= -0.008615 Density= 0.036206 ETOT(band)= -0.038098 trlgG= -0.047218 logG= -0.008615 TDE= -0.056519 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004544 ETOT(band)= -0.004730 trlgG= -0.005849 logG= -0.001048 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002423 tlogG= -0.012075 logG= -0.014498 Density= 0.053600 ETOT(band)= -0.058498 trlgG= -0.073576 logG= -0.014498 TDE= -0.085601 logGD-logG0= -0.002605 tlogG= -0.012026 logG= -0.014631 Density= 0.053778 ETOT(band)= -0.058488 trlgG= -0.073632 logG= -0.014631 TDE= -0.085612 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002328 tlogG= -0.011877 logG= -0.014205 Density= 0.053578 ETOT(band)= -0.058354 trlgG= -0.073213 logG= -0.014205 TDE= -0.085521 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.021551 logG= -0.026465 Density= 0.108544 ETOT(band)= -0.114794 trlgG= -0.142733 logG= -0.026465 TDE= -0.169981 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004322 tlogG= -0.024040 logG= -0.028361 logGD-logG0= -0.005116 tlogG= -0.022967 logG= -0.028083 Density= 0.108165 ETOT(band)= -0.116021 trlgG= -0.145413 logG= -0.028083 TDE= -0.170855 Density= 0.106154 ETOT(band)= -0.117064 trlgG= -0.146680 logG= -0.028361 TDE= -0.170849 logGD-logG0= -0.004837 tlogG= -0.023675 logG= -0.028512 Density= 0.107410 ETOT(band)= -0.116630 trlgG= -0.146294 logG= -0.028512 TDE= -0.170934 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002565 tlogG= -0.011976 logG= -0.014541 logGD-logG0= -0.005163 tlogG= -0.023747 logG= -0.028911 Density= 0.054152 ETOT(band)= -0.058252 trlgG= -0.073499 logG= -0.014541 TDE= -0.085754 Density= 0.108206 ETOT(band)= -0.116454 trlgG= -0.146722 logG= -0.028911 TDE= -0.171358 logGD-logG0= -0.005284 tlogG= -0.024060 logG= -0.029344 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107672 ETOT(band)= -0.116977 trlgG= -0.147410 logG= -0.029344 TDE= -0.171348 logGD-logG0= -0.005151 tlogG= -0.023933 logG= -0.029084 Density= 0.108257 ETOT(band)= -0.116529 trlgG= -0.147001 logG= -0.029084 TDE= -0.171488 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.022443 logG= -0.027490 Density= 0.108234 ETOT(band)= -0.115649 trlgG= -0.144466 logG= -0.027490 TDE= -0.170536 logGD-logG0= -0.005158 tlogG= -0.023414 logG= -0.028572 logGD-logG0= -0.002634 tlogG= -0.011979 logG= -0.014613 Density= 0.108160 ETOT(band)= -0.116292 trlgG= -0.146187 logG= -0.028572 TDE= -0.171137 Density= 0.053997 ETOT(band)= -0.058372 trlgG= -0.073618 logG= -0.014613 TDE= -0.085725 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023194 logG= -0.027819 Density= 0.106773 ETOT(band)= -0.116524 trlgG= -0.145363 logG= -0.027819 TDE= -0.170381 logGD-logG0= -0.005019 tlogG= -0.021682 logG= -0.026701 Density= 0.107966 ETOT(band)= -0.115253 trlgG= -0.143160 logG= -0.026701 TDE= -0.169886 logGD-logG0= -0.005000 tlogG= -0.024080 logG= -0.029080 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023855 logG= -0.028993 Density= 0.108277 ETOT(band)= -0.116465 trlgG= -0.146852 logG= -0.028993 TDE= -0.171441 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107410 ETOT(band)= -0.116941 trlgG= -0.147036 logG= -0.029080 TDE= -0.171108 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005334 tlogG= -0.024115 logG= -0.029449 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107840 ETOT(band)= -0.116974 trlgG= -0.147600 logG= -0.029449 TDE= -0.171516 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023589 logG= -0.028729 logGD-logG0= -0.005301 tlogG= -0.024069 logG= -0.029370 logGD-logG0= -0.004871 tlogG= -0.022838 logG= -0.027709 logGD-logG0= -0.005317 tlogG= -0.023892 logG= -0.029208 Density= 0.107781 ETOT(band)= -0.116844 trlgG= -0.147196 logG= -0.029208 TDE= -0.171323 Density= 0.107916 ETOT(band)= -0.116887 trlgG= -0.147476 logG= -0.029370 TDE= -0.171508 Density= 0.107780 ETOT(band)= -0.116002 trlgG= -0.144828 logG= -0.027709 TDE= -0.170454 Density= 0.108232 ETOT(band)= -0.116339 trlgG= -0.146432 logG= -0.028729 TDE= -0.171261 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.022864 logG= -0.027981 logGD-logG0= -0.004715 tlogG= -0.023672 logG= -0.028387 Density= 0.107009 ETOT(band)= -0.116746 trlgG= -0.146382 logG= -0.028387 TDE= -0.170948 logGD-logG0= -0.005043 tlogG= -0.022719 logG= -0.027762 Density= 0.108279 ETOT(band)= -0.115786 trlgG= -0.144903 logG= -0.027762 TDE= -0.170722 logGD-logG0= -0.004712 tlogG= -0.022979 logG= -0.027691 Density= 0.107649 ETOT(band)= -0.116205 trlgG= -0.145237 logG= -0.027981 TDE= -0.170526 Density= 0.106909 ETOT(band)= -0.116394 trlgG= -0.145100 logG= -0.027691 TDE= -0.170313 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023200 logG= -0.028309 Density= 0.108223 ETOT(band)= -0.116115 trlgG= -0.145769 logG= -0.028309 TDE= -0.171014 logGD-logG0= -0.005307 tlogG= -0.023186 logG= -0.028493 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107714 ETOT(band)= -0.116454 trlgG= -0.146046 logG= -0.028493 TDE= -0.170856 logGD-logG0= -0.005236 tlogG= -0.023954 logG= -0.029190 Density= 0.107475 ETOT(band)= -0.116962 trlgG= -0.147136 logG= -0.029190 TDE= -0.171130 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.024041 logG= -0.029317 logGD-logG0= -0.005287 tlogG= -0.023853 logG= -0.029140 Density= 0.107945 ETOT(band)= -0.116713 trlgG= -0.147092 logG= -0.029140 TDE= -0.171368 Density= 0.107976 ETOT(band)= -0.116820 trlgG= -0.147388 logG= -0.029317 TDE= -0.171503 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009796 tlogG= -0.048217 logG= -0.058013 logGD-logG0= -0.002409 tlogG= -0.010419 logG= -0.012828 Density= 0.214465 ETOT(band)= -0.233961 trlgG= -0.294195 logG= -0.058013 TDE= -0.342310 Density= 0.054393 ETOT(band)= -0.057030 trlgG= -0.070649 logG= -0.012828 TDE= -0.084738 logGD-logG0= -0.009487 tlogG= -0.045735 logG= -0.055221 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215086 ETOT(band)= -0.232123 trlgG= -0.289807 logG= -0.055221 TDE= -0.341021 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009941 tlogG= -0.047873 logG= -0.057814 logGD-logG0= -0.005324 tlogG= -0.023562 logG= -0.028887 Density= 0.214034 ETOT(band)= -0.233996 trlgG= -0.293880 logG= -0.057814 TDE= -0.341981 logGD-logG0= -0.009110 tlogG= -0.047611 logG= -0.056720 Density= 0.107830 ETOT(band)= -0.116617 trlgG= -0.146676 logG= -0.028887 TDE= -0.171149 Density= 0.212997 ETOT(band)= -0.233843 trlgG= -0.292686 logG= -0.056720 TDE= -0.341368 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009765 tlogG= -0.045563 logG= -0.055328 Density= 0.214434 ETOT(band)= -0.232469 trlgG= -0.289980 logG= -0.055328 TDE= -0.340765 logGD-logG0= -0.009662 tlogG= -0.047131 logG= -0.056794 logGD-logG0= -0.010065 tlogG= -0.048004 logG= -0.058069 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214595 ETOT(band)= -0.233908 trlgG= -0.293946 logG= -0.058069 TDE= -0.342070 logGD-logG0= -0.010472 tlogG= -0.048058 logG= -0.058530 Density= 0.213835 ETOT(band)= -0.233550 trlgG= -0.292615 logG= -0.056794 TDE= -0.341637 Density= 0.215132 ETOT(band)= -0.233942 trlgG= -0.294536 logG= -0.058530 TDE= -0.342464 logGD-logG0= -0.009436 tlogG= -0.047421 logG= -0.056857 Density= 0.214377 ETOT(band)= -0.233384 trlgG= -0.292749 logG= -0.056857 TDE= -0.341977 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009536 tlogG= -0.047914 logG= -0.057450 Density= 0.213341 ETOT(band)= -0.234055 trlgG= -0.293326 logG= -0.057450 TDE= -0.341448 logGD-logG0= -0.009811 tlogG= -0.047139 logG= -0.056950 Density= 0.213846 ETOT(band)= -0.233594 trlgG= -0.292407 logG= -0.056950 TDE= -0.341279 logGD-logG0= -0.010320 tlogG= -0.047957 logG= -0.058277 Density= 0.215135 ETOT(band)= -0.233797 trlgG= -0.294120 logG= -0.058277 TDE= -0.342302 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007301 logG= -0.008993 Density= 0.035856 ETOT(band)= -0.038545 trlgG= -0.047876 logG= -0.008993 TDE= -0.056626 logGD-logG0= -0.010381 tlogG= -0.047763 logG= -0.058144 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214719 ETOT(band)= -0.233880 trlgG= -0.293854 logG= -0.058144 TDE= -0.341964 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010517 tlogG= -0.047723 logG= -0.058240 Density= 0.214820 ETOT(band)= -0.233887 trlgG= -0.294023 logG= -0.058240 TDE= -0.342087 logGD-logG0= -0.010553 tlogG= -0.047993 logG= -0.058546 logGD-logG0= -0.010624 tlogG= -0.047494 logG= -0.058118 Density= 0.215761 ETOT(band)= -0.233393 trlgG= -0.293914 logG= -0.058118 TDE= -0.342565 Density= 0.215169 ETOT(band)= -0.233934 trlgG= -0.294563 logG= -0.058546 TDE= -0.342494 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.047640 logG= -0.057815 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214015 ETOT(band)= -0.233983 trlgG= -0.293632 logG= -0.057815 TDE= -0.341723 logGD-logG0= -0.009870 tlogG= -0.045625 logG= -0.055495 Density= 0.215217 ETOT(band)= -0.232199 trlgG= -0.289800 logG= -0.055495 TDE= -0.340805 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010550 tlogG= -0.047907 logG= -0.058457 logGD-logG0= -0.010574 tlogG= -0.047402 logG= -0.057977 logGD-logG0= -0.010399 tlogG= -0.047293 logG= -0.057692 Density= 0.214327 ETOT(band)= -0.233778 trlgG= -0.293108 logG= -0.057692 TDE= -0.341476 Density= 0.215529 ETOT(band)= -0.233432 trlgG= -0.293672 logG= -0.057977 TDE= -0.342350 Density= 0.215956 ETOT(band)= -0.233511 trlgG= -0.294477 logG= -0.058457 TDE= -0.342886 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009791 tlogG= -0.047199 logG= -0.056989 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214543 ETOT(band)= -0.233346 trlgG= -0.292524 logG= -0.056989 TDE= -0.341702 logGD-logG0= -0.010665 tlogG= -0.048125 logG= -0.058790 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215483 ETOT(band)= -0.233961 trlgG= -0.295002 logG= -0.058790 TDE= -0.342844 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010605 tlogG= -0.047855 logG= -0.058460 logGD-logG0= -0.010180 tlogG= -0.046391 logG= -0.056571 Density= 0.215827 ETOT(band)= -0.233582 trlgG= -0.294478 logG= -0.058460 TDE= -0.342820 Density= 0.215281 ETOT(band)= -0.232763 trlgG= -0.291428 logG= -0.056571 TDE= -0.341389 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010091 tlogG= -0.047130 logG= -0.057221 Density= 0.215214 ETOT(band)= -0.233164 trlgG= -0.292444 logG= -0.057221 TDE= -0.341722 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010617 tlogG= -0.046860 logG= -0.057477 Density= 0.215492 ETOT(band)= -0.233155 trlgG= -0.292872 logG= -0.057477 TDE= -0.342031 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.021861 logG= -0.026861 Density= 0.108354 ETOT(band)= -0.115159 trlgG= -0.143411 logG= -0.026861 TDE= -0.170169 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004834 tlogG= -0.020976 logG= -0.025810 Density= 0.108740 ETOT(band)= -0.114207 trlgG= -0.141578 logG= -0.025810 TDE= -0.169577 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.021805 logG= -0.026883 Density= 0.107823 ETOT(band)= -0.115444 trlgG= -0.143468 logG= -0.026883 TDE= -0.169942 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010031 tlogG= -0.043366 logG= -0.053397 Density= 0.216343 ETOT(band)= -0.230297 trlgG= -0.286299 logG= -0.053397 TDE= -0.339959 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001432 tlogG= -0.007961 logG= -0.009393 Density= 0.070892 ETOT(band)= -0.077885 trlgG= -0.097386 logG= -0.009393 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004485 tlogG= -0.023575 logG= -0.028061 Density= 0.212693 ETOT(band)= -0.233799 trlgG= -0.292538 logG= -0.028061 TDE= -0.170605 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004544 tlogG= -0.024036 logG= -0.028580 Density= 0.106423 ETOT(band)= -0.117054 trlgG= -0.146692 logG= -0.028580 TDE= -0.170776 logGD-logG0= -0.004598 tlogG= -0.023880 logG= -0.028478 Density= 0.213353 ETOT(band)= -0.233671 trlgG= -0.292299 logG= -0.028478 TDE= -0.170695 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001189 tlogG= -0.005168 logG= -0.006357 Density= 0.062560 ETOT(band)= -0.067491 trlgG= -0.084152 logG= -0.006357 TDE= -0.042338 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004680 tlogG= -0.023659 logG= -0.028339 Density= 0.106633 ETOT(band)= -0.116861 trlgG= -0.146274 logG= -0.028339 TDE= -0.170702 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.022896 logG= -0.027861 Density= 0.214867 ETOT(band)= -0.232219 trlgG= -0.289497 logG= -0.027861 TDE= -0.170342 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.022838 logG= -0.027587 Density= 0.107332 ETOT(band)= -0.116143 trlgG= -0.144951 logG= -0.027587 TDE= -0.170478 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.024055 logG= -0.028942 Density= 0.107088 ETOT(band)= -0.117000 trlgG= -0.147059 logG= -0.028942 TDE= -0.171110 logGD-logG0= -0.002336 tlogG= -0.011441 logG= -0.013778 Density= 0.053754 ETOT(band)= -0.058024 trlgG= -0.072450 logG= -0.013778 TDE= -0.085273 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007112 logG= -0.008808 Density= 0.072252 ETOT(band)= -0.076423 trlgG= -0.094782 logG= -0.008808 TDE= -0.056593 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004295 tlogG= -0.024120 logG= -0.028415 Density= 0.212246 ETOT(band)= -0.234177 trlgG= -0.293483 logG= -0.028415 TDE= -0.170888 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004430 tlogG= -0.023728 logG= -0.028158 Density= 0.213161 ETOT(band)= -0.233394 trlgG= -0.291565 logG= -0.028158 TDE= -0.170690 logGD-logG0= -0.001275 tlogG= -0.005852 logG= -0.007126 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.021192 logG= -0.026149 Density= 0.080672 ETOT(band)= -0.087545 trlgG= -0.110095 logG= -0.007126 TDE= -0.042789 Density= 0.216412 ETOT(band)= -0.229868 trlgG= -0.285357 logG= -0.026149 TDE= -0.169712 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006870 logG= -0.008454 Density= 0.040859 ETOT(band)= -0.042643 trlgG= -0.052766 logG= -0.008454 TDE= -0.056434 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005252 tlogG= -0.023473 logG= -0.028725 Density= 0.215278 ETOT(band)= -0.233150 trlgG= -0.292716 logG= -0.028725 TDE= -0.171075 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005935 logG= -0.007214 Density= 0.080854 ETOT(band)= -0.087582 trlgG= -0.110291 logG= -0.007214 TDE= -0.042843 logGD-logG0= -0.001572 tlogG= -0.007584 logG= -0.009157 logGD-logG0= -0.005087 tlogG= -0.021866 logG= -0.026952 Density= 0.216690 ETOT(band)= -0.230118 trlgG= -0.286306 logG= -0.026952 TDE= -0.170137 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.071522 ETOT(band)= -0.077286 trlgG= -0.096091 logG= -0.009157 TDE= -0.056708 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023782 logG= -0.029048 Density= 0.215395 ETOT(band)= -0.233586 trlgG= -0.293980 logG= -0.029048 TDE= -0.171332 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005744 logG= -0.007004 Density= 0.080660 ETOT(band)= -0.087330 trlgG= -0.109540 logG= -0.007004 TDE= -0.042724 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001207 tlogG= -0.005304 logG= -0.006511 Density= 0.081581 ETOT(band)= -0.085625 trlgG= -0.106146 logG= -0.006511 TDE= -0.042439 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005233 tlogG= -0.023984 logG= -0.029217 Density= 0.215746 ETOT(band)= -0.233682 trlgG= -0.294631 logG= -0.029217 TDE= -0.171485 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022279 logG= -0.027230 Density= 0.214334 ETOT(band)= -0.232256 trlgG= -0.289247 logG= -0.027230 TDE= -0.170077 logGD-logG0= -0.001278 tlogG= -0.005980 logG= -0.007258 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081083 ETOT(band)= -0.087486 trlgG= -0.110346 logG= -0.007258 TDE= -0.042873 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.022463 logG= -0.027379 Density= 0.215094 ETOT(band)= -0.231484 trlgG= -0.287854 logG= -0.027379 TDE= -0.170090 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.023233 logG= -0.028264 Density= 0.321801 ETOT(band)= -0.350293 trlgG= -0.439321 logG= -0.028264 TDE= -0.170763 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009686 tlogG= -0.046580 logG= -0.056266 Density= 0.322805 ETOT(band)= -0.348747 trlgG= -0.436121 logG= -0.056266 TDE= -0.341431 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023982 logG= -0.029179 Density= 0.216413 ETOT(band)= -0.233168 trlgG= -0.294161 logG= -0.029179 TDE= -0.171503 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004773 tlogG= -0.023992 logG= -0.028766 Density= 0.321662 ETOT(band)= -0.350834 trlgG= -0.441049 logG= -0.028766 TDE= -0.171135 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.021337 logG= -0.026335 Density= 0.217083 ETOT(band)= -0.229012 trlgG= -0.284105 logG= -0.026335 TDE= -0.169806 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005075 tlogG= -0.023833 logG= -0.028909 Density= 0.215556 ETOT(band)= -0.233583 trlgG= -0.294080 logG= -0.028909 TDE= -0.171019 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.024104 logG= -0.029429 Density= 0.215778 ETOT(band)= -0.233838 trlgG= -0.295046 logG= -0.029429 TDE= -0.171516 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010313 tlogG= -0.047931 logG= -0.058244 logGD-logG0= -0.009818 tlogG= -0.047828 logG= -0.057645 Density= 0.429331 ETOT(band)= -0.467867 trlgG= -0.587863 logG= -0.058244 TDE= -0.341965 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429263 ETOT(band)= -0.467569 trlgG= -0.587436 logG= -0.057645 TDE= -0.342073 logGD-logG0= -0.005189 tlogG= -0.023940 logG= -0.029129 Density= 0.216447 ETOT(band)= -0.233065 trlgG= -0.293930 logG= -0.029129 TDE= -0.171476 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.024149 logG= -0.029194 logGD-logG0= -0.010422 tlogG= -0.047752 logG= -0.058174 Density= 0.324438 ETOT(band)= -0.349657 trlgG= -0.440739 logG= -0.058174 TDE= -0.342845 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010655 tlogG= -0.047708 logG= -0.058363 Density= 0.322533 ETOT(band)= -0.350952 trlgG= -0.441724 logG= -0.029194 TDE= -0.171141 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430873 ETOT(band)= -0.467172 trlgG= -0.587953 logG= -0.058363 TDE= -0.342481 logGD-logG0= -0.010696 tlogG= -0.048013 logG= -0.058709 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323337 ETOT(band)= -0.350721 trlgG= -0.442072 logG= -0.058709 TDE= -0.342835 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023745 logG= -0.028954 Density= 0.216337 ETOT(band)= -0.232866 trlgG= -0.293225 logG= -0.028954 TDE= -0.171335 logGD-logG0= -0.005187 tlogG= -0.022952 logG= -0.028139 logGD-logG0= -0.005249 tlogG= -0.024073 logG= -0.029322 Density= 0.323152 ETOT(band)= -0.350928 trlgG= -0.442374 logG= -0.029322 TDE= -0.171329 logGD-logG0= -0.009998 tlogG= -0.047533 logG= -0.057530 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428739 ETOT(band)= -0.467117 trlgG= -0.585830 logG= -0.057530 TDE= -0.341771 Density= 0.216287 ETOT(band)= -0.231912 trlgG= -0.290404 logG= -0.028139 TDE= -0.170810 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023399 logG= -0.028614 logGD-logG0= -0.005373 tlogG= -0.023880 logG= -0.029253 Density= 0.216258 ETOT(band)= -0.232486 trlgG= -0.292018 logG= -0.028614 TDE= -0.171096 Density= 0.215706 ETOT(band)= -0.233584 trlgG= -0.294359 logG= -0.029253 TDE= -0.171340 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.045609 logG= -0.055788 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324140 ETOT(band)= -0.347687 trlgG= -0.434688 logG= -0.055788 TDE= -0.341275 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010462 tlogG= -0.046383 logG= -0.056846 Density= 0.324089 ETOT(band)= -0.348631 trlgG= -0.437306 logG= -0.056846 TDE= -0.341897 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004654 tlogG= -0.023357 logG= -0.028011 logGD-logG0= -0.004686 tlogG= -0.023354 logG= -0.028040 Density= 0.321736 ETOT(band)= -0.349786 trlgG= -0.438473 logG= -0.028040 TDE= -0.170810 Density= 0.214252 ETOT(band)= -0.233189 trlgG= -0.292142 logG= -0.028011 TDE= -0.170818 logGD-logG0= -0.010467 tlogG= -0.047202 logG= -0.057669 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324222 ETOT(band)= -0.349288 trlgG= -0.439391 logG= -0.057669 TDE= -0.342454 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023187 logG= -0.028352 Density= 0.214935 ETOT(band)= -0.232774 trlgG= -0.291024 logG= -0.028352 TDE= -0.170525 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009642 tlogG= -0.047812 logG= -0.057454 Density= 0.428169 ETOT(band)= -0.467786 trlgG= -0.587453 logG= -0.057454 TDE= -0.342084 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023939 logG= -0.029298 Density= 0.323750 ETOT(band)= -0.350397 trlgG= -0.441821 logG= -0.029298 TDE= -0.171388 logGD-logG0= -0.002468 tlogG= -0.010835 logG= -0.013302 Density= 0.054079 ETOT(band)= -0.057546 trlgG= -0.071493 logG= -0.013302 TDE= -0.084952 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.023666 logG= -0.029087 Density= 0.215469 ETOT(band)= -0.233435 trlgG= -0.293660 logG= -0.029087 TDE= -0.171162 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008948 tlogG= -0.048075 logG= -0.057022 Density= 0.425678 ETOT(band)= -0.467955 trlgG= -0.586064 logG= -0.057022 TDE= -0.341601 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009441 tlogG= -0.046693 logG= -0.056134 Density= 0.428036 ETOT(band)= -0.465757 trlgG= -0.581451 logG= -0.056134 TDE= -0.341037 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010277 tlogG= -0.048197 logG= -0.058475 logGD-logG0= -0.010772 tlogG= -0.047657 logG= -0.058429 Density= 0.430160 ETOT(band)= -0.467914 trlgG= -0.588987 logG= -0.058475 TDE= -0.342338 logGD-logG0= -0.010487 tlogG= -0.048048 logG= -0.058535 Density= 0.430266 ETOT(band)= -0.467745 trlgG= -0.588661 logG= -0.058535 TDE= -0.342463 Density= 0.431213 ETOT(band)= -0.467117 trlgG= -0.588315 logG= -0.058429 TDE= -0.342588 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.023345 logG= -0.028779 Density= 0.215171 ETOT(band)= -0.233176 trlgG= -0.292519 logG= -0.028779 TDE= -0.170869 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.047646 logG= -0.057896 logGD-logG0= -0.010145 tlogG= -0.048122 logG= -0.058267 Density= 0.429427 ETOT(band)= -0.467906 trlgG= -0.588225 logG= -0.058267 TDE= -0.342132 logGD-logG0= -0.009506 tlogG= -0.046580 logG= -0.056086 Density= 0.428235 ETOT(band)= -0.466482 trlgG= -0.584060 logG= -0.056086 TDE= -0.341454 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428422 ETOT(band)= -0.467771 trlgG= -0.586784 logG= -0.057896 TDE= -0.341725 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.021288 logG= -0.026203 logGD-logG0= -0.009637 tlogG= -0.047634 logG= -0.057271 Density= 0.426809 ETOT(band)= -0.467990 trlgG= -0.586576 logG= -0.057271 TDE= -0.341614 Density= 0.162694 ETOT(band)= -0.172861 trlgG= -0.215783 logG= -0.026203 TDE= -0.169793 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009591 tlogG= -0.047753 logG= -0.057344 logGD-logG0= -0.005019 tlogG= -0.024144 logG= -0.029163 Density= 0.214804 ETOT(band)= -0.233987 trlgG= -0.294332 logG= -0.029163 TDE= -0.171146 logGD-logG0= -0.009934 tlogG= -0.046374 logG= -0.056308 Density= 0.429667 ETOT(band)= -0.465197 trlgG= -0.581139 logG= -0.056308 TDE= -0.341151 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427314 ETOT(band)= -0.467542 trlgG= -0.585433 logG= -0.057344 TDE= -0.341316 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010697 tlogG= -0.047982 logG= -0.058679 Density= 0.431451 ETOT(band)= -0.467401 trlgG= -0.589309 logG= -0.058679 TDE= -0.342853 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010316 tlogG= -0.046907 logG= -0.057223 Density= 0.430010 ETOT(band)= -0.466116 trlgG= -0.583826 logG= -0.057223 TDE= -0.341433 logGD-logG0= -0.004839 tlogG= -0.022315 logG= -0.027154 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322974 ETOT(band)= -0.347715 trlgG= -0.433731 logG= -0.027154 TDE= -0.170159 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010240 tlogG= -0.047547 logG= -0.057787 Density= 0.430136 ETOT(band)= -0.466764 trlgG= -0.585755 logG= -0.057787 TDE= -0.341877 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.047246 logG= -0.057960 Density= 0.430606 ETOT(band)= -0.466746 trlgG= -0.586481 logG= -0.057960 TDE= -0.342097 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009974 tlogG= -0.044599 logG= -0.054573 Density= 0.324384 ETOT(band)= -0.346418 trlgG= -0.431681 logG= -0.054573 TDE= -0.340599 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009823 tlogG= -0.044600 logG= -0.054423 Density= 0.431742 ETOT(band)= -0.461735 trlgG= -0.574368 logG= -0.054423 TDE= -0.340236 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005292 tlogG= -0.023671 logG= -0.028963 Density= 0.107263 ETOT(band)= -0.116909 trlgG= -0.146739 logG= -0.028963 TDE= -0.170855 logGD-logG0= -0.004997 tlogG= -0.023636 logG= -0.028633 Density= 0.107012 ETOT(band)= -0.116835 trlgG= -0.146188 logG= -0.028633 TDE= -0.170509 logGD-logG0= -0.004902 tlogG= -0.023885 logG= -0.028787 Density= 0.106790 ETOT(band)= -0.117017 trlgG= -0.146802 logG= -0.028787 TDE= -0.170860 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.022156 logG= -0.027121 Density= 0.108390 ETOT(band)= -0.115343 trlgG= -0.143860 logG= -0.027121 TDE= -0.170376 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004572 tlogG= -0.023963 logG= -0.028535 Density= 0.212879 ETOT(band)= -0.234078 trlgG= -0.293290 logG= -0.028535 TDE= -0.170743 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023993 logG= -0.028733 Density= 0.214186 ETOT(band)= -0.233901 trlgG= -0.293934 logG= -0.028733 TDE= -0.171139 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005465 logG= -0.006691 Density= 0.081224 ETOT(band)= -0.086291 trlgG= -0.107302 logG= -0.006691 TDE= -0.042550 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004799 tlogG= -0.022314 logG= -0.027113 Density= 0.215098 ETOT(band)= -0.231774 trlgG= -0.288900 logG= -0.027113 TDE= -0.170164 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004784 tlogG= -0.023230 logG= -0.028014 Density= 0.213570 ETOT(band)= -0.233426 trlgG= -0.292024 logG= -0.028014 TDE= -0.170653 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001239 tlogG= -0.005616 logG= -0.006855 Density= 0.080862 ETOT(band)= -0.086902 trlgG= -0.108538 logG= -0.006855 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.023943 logG= -0.029022 Density= 0.214405 ETOT(band)= -0.233912 trlgG= -0.293714 logG= -0.029022 TDE= -0.170973 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.022427 logG= -0.027549 Density= 0.216434 ETOT(band)= -0.231115 trlgG= -0.288420 logG= -0.027549 TDE= -0.170476 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004835 tlogG= -0.023822 logG= -0.028657 Density= 0.213641 ETOT(band)= -0.233960 trlgG= -0.293541 logG= -0.028657 TDE= -0.170957 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.023875 logG= -0.028786 Density= 0.213856 ETOT(band)= -0.233823 trlgG= -0.292803 logG= -0.028786 TDE= -0.170701 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.570544493416 eV TrLogG= -407.045980695892 eV Ratio to renormalize= 0.999729234560 rho-rho_expected= 0.005958453020 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 46) Finished k-point number 94 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 74) Finished k-point number 150 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 62) Finished k-point number 126 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964481732347303 0.940082944761432 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001551 tlogG= -0.007812 logG= -0.009363 Density= 0.035468 ETOT(band)= -0.038908 trlgG= -0.048664 logG= -0.009363 TDE= -0.056852 logGD-logG0= -0.001471 tlogG= -0.008045 logG= -0.009516 Density= 0.035290 ETOT(band)= -0.039058 trlgG= -0.049028 logG= -0.009516 TDE= -0.056976 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.024053 logG= -0.028571 Density= 0.106046 ETOT(band)= -0.117113 trlgG= -0.146958 logG= -0.028571 TDE= -0.170864 logGD-logG0= -0.004545 tlogG= -0.023976 logG= -0.028521 Density= 0.106098 ETOT(band)= -0.117069 trlgG= -0.146845 logG= -0.028521 TDE= -0.170826 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023208 logG= -0.028025 Density= 0.106661 ETOT(band)= -0.116573 trlgG= -0.145640 logG= -0.028025 TDE= -0.170395 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.022411 logG= -0.027618 Density= 0.107551 ETOT(band)= -0.115921 trlgG= -0.144617 logG= -0.027618 TDE= -0.170221 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002499 tlogG= -0.010428 logG= -0.012927 Density= 0.054331 ETOT(band)= -0.057054 trlgG= -0.070786 logG= -0.012927 TDE= -0.084745 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005204 tlogG= -0.021697 logG= -0.026901 Density= 0.107846 ETOT(band)= -0.115301 trlgG= -0.143434 logG= -0.026901 TDE= -0.169901 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005149 tlogG= -0.022172 logG= -0.027321 Density= 0.108269 ETOT(band)= -0.115392 trlgG= -0.144135 logG= -0.027321 TDE= -0.170391 logGD-logG0= -0.004741 tlogG= -0.024049 logG= -0.028790 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106314 ETOT(band)= -0.117104 trlgG= -0.146971 logG= -0.028790 TDE= -0.170790 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023672 logG= -0.028547 logGD-logG0= -0.005192 tlogG= -0.023648 logG= -0.028841 Density= 0.106898 ETOT(band)= -0.116886 trlgG= -0.146468 logG= -0.028841 TDE= -0.170525 Density= 0.106522 ETOT(band)= -0.116911 trlgG= -0.146552 logG= -0.028547 TDE= -0.170717 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.023217 logG= -0.028512 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108103 ETOT(band)= -0.116165 trlgG= -0.146046 logG= -0.028512 TDE= -0.171029 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023898 logG= -0.028997 Density= 0.106678 ETOT(band)= -0.117067 trlgG= -0.147082 logG= -0.028997 TDE= -0.170875 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005497 tlogG= -0.023200 logG= -0.028698 Density= 0.107597 ETOT(band)= -0.116504 trlgG= -0.146325 logG= -0.028698 TDE= -0.170871 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.010842 logG= -0.013402 Density= 0.054019 ETOT(band)= -0.057570 trlgG= -0.071630 logG= -0.013402 TDE= -0.084960 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000204 tlogG= -0.000853 logG= -0.001056 Density= 0.004539 ETOT(band)= -0.004732 trlgG= -0.005860 logG= -0.001056 TDE= -0.007050 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002424 tlogG= -0.011884 logG= -0.014308 Density= 0.053521 ETOT(band)= -0.058378 trlgG= -0.073352 logG= -0.014308 TDE= -0.085529 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002701 tlogG= -0.012033 logG= -0.014735 Density= 0.053720 ETOT(band)= -0.058513 trlgG= -0.073772 logG= -0.014735 TDE= -0.085620 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002430 tlogG= -0.011449 logG= -0.013879 Density= 0.053695 ETOT(band)= -0.058048 trlgG= -0.072588 logG= -0.013879 TDE= -0.085280 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002520 tlogG= -0.012083 logG= -0.014603 logGD-logG0= -0.002659 tlogG= -0.011984 logG= -0.014643 Density= 0.054091 ETOT(band)= -0.058278 trlgG= -0.073638 logG= -0.014643 TDE= -0.085762 Density= 0.053543 ETOT(band)= -0.058523 trlgG= -0.073715 logG= -0.014603 TDE= -0.085609 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005337 tlogG= -0.023950 logG= -0.029288 Density= 0.108136 ETOT(band)= -0.116579 trlgG= -0.147280 logG= -0.029288 TDE= -0.171503 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023431 logG= -0.028776 Density= 0.108040 ETOT(band)= -0.116342 trlgG= -0.146464 logG= -0.028776 TDE= -0.171152 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002728 tlogG= -0.011988 logG= -0.014716 Density= 0.053938 ETOT(band)= -0.058398 trlgG= -0.073758 logG= -0.014716 TDE= -0.085733 logGD-logG0= -0.005192 tlogG= -0.024095 logG= -0.029287 Density= 0.107295 ETOT(band)= -0.116991 trlgG= -0.147316 logG= -0.029287 TDE= -0.171123 logGD-logG0= -0.005059 tlogG= -0.022852 logG= -0.027912 logGD-logG0= -0.005477 tlogG= -0.024075 logG= -0.029551 Density= 0.107555 ETOT(band)= -0.117028 trlgG= -0.147691 logG= -0.029551 TDE= -0.171363 Density= 0.107662 ETOT(band)= -0.116051 trlgG= -0.145104 logG= -0.027912 TDE= -0.170469 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005485 tlogG= -0.023686 logG= -0.029171 logGD-logG0= -0.005509 tlogG= -0.023906 logG= -0.029415 Density= 0.107148 ETOT(band)= -0.116959 trlgG= -0.147019 logG= -0.029171 TDE= -0.170871 logGD-logG0= -0.005324 tlogG= -0.023872 logG= -0.029196 Density= 0.107663 ETOT(band)= -0.116895 trlgG= -0.147476 logG= -0.029415 TDE= -0.171339 logGD-logG0= -0.005428 tlogG= -0.023969 logG= -0.029397 Density= 0.107358 ETOT(band)= -0.117013 trlgG= -0.147416 logG= -0.029397 TDE= -0.171145 Density= 0.108156 ETOT(band)= -0.116515 trlgG= -0.147131 logG= -0.029196 TDE= -0.171456 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.022992 logG= -0.027896 Density= 0.106795 ETOT(band)= -0.116443 trlgG= -0.145376 logG= -0.027896 TDE= -0.170328 logGD-logG0= -0.005228 tlogG= -0.022736 logG= -0.027964 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108158 ETOT(band)= -0.115835 trlgG= -0.145179 logG= -0.027964 TDE= -0.170737 logGD-logG0= -0.005490 tlogG= -0.024086 logG= -0.029577 Density= 0.107798 ETOT(band)= -0.116938 trlgG= -0.147756 logG= -0.029577 TDE= -0.171524 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023691 logG= -0.028718 Density= 0.107295 ETOT(band)= -0.116680 trlgG= -0.146573 logG= -0.028718 TDE= -0.170949 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.022879 logG= -0.028185 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.023688 logG= -0.028594 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106896 ETOT(band)= -0.116796 trlgG= -0.146660 logG= -0.028594 TDE= -0.170963 Density= 0.107532 ETOT(band)= -0.116255 trlgG= -0.145514 logG= -0.028185 TDE= -0.170541 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.023504 logG= -0.028433 Density= 0.106696 ETOT(band)= -0.116765 trlgG= -0.146127 logG= -0.028433 TDE= -0.170492 logGD-logG0= -0.005523 tlogG= -0.024132 logG= -0.029656 logGD-logG0= -0.005080 tlogG= -0.024070 logG= -0.029151 Density= 0.106975 ETOT(band)= -0.117050 trlgG= -0.147339 logG= -0.029151 TDE= -0.171125 Density= 0.107722 ETOT(band)= -0.117025 trlgG= -0.147881 logG= -0.029656 TDE= -0.171532 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023606 logG= -0.028932 Density= 0.108111 ETOT(band)= -0.116389 trlgG= -0.146710 logG= -0.028932 TDE= -0.171276 logGD-logG0= -0.004937 tlogG= -0.022854 logG= -0.027791 Density= 0.107216 ETOT(band)= -0.116192 trlgG= -0.145227 logG= -0.027791 TDE= -0.170493 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005475 tlogG= -0.023870 logG= -0.029345 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107826 ETOT(band)= -0.116764 trlgG= -0.147371 logG= -0.029345 TDE= -0.171384 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005512 tlogG= -0.023579 logG= -0.029092 Density= 0.107712 ETOT(band)= -0.116667 trlgG= -0.146955 logG= -0.029092 TDE= -0.171164 logGD-logG0= -0.005465 tlogG= -0.024058 logG= -0.029523 Density= 0.107856 ETOT(band)= -0.116871 trlgG= -0.147668 logG= -0.029523 TDE= -0.171518 logGD-logG0= -0.009863 tlogG= -0.045765 logG= -0.055628 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010328 tlogG= -0.047904 logG= -0.058232 Density= 0.214853 ETOT(band)= -0.232220 trlgG= -0.290359 logG= -0.055628 TDE= -0.341051 Density= 0.213808 ETOT(band)= -0.234097 trlgG= -0.294439 logG= -0.058232 TDE= -0.342011 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010047 tlogG= -0.047162 logG= -0.057209 Density= 0.213610 ETOT(band)= -0.233649 trlgG= -0.293171 logG= -0.057209 TDE= -0.341667 logGD-logG0= -0.005302 tlogG= -0.022984 logG= -0.028285 logGD-logG0= -0.009500 tlogG= -0.047638 logG= -0.057138 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009928 tlogG= -0.047941 logG= -0.057869 Density= 0.213119 ETOT(band)= -0.234156 trlgG= -0.293886 logG= -0.057869 TDE= -0.341478 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212777 ETOT(band)= -0.233943 trlgG= -0.293242 logG= -0.057138 TDE= -0.341397 Density= 0.108045 ETOT(band)= -0.116071 trlgG= -0.145690 logG= -0.028285 TDE= -0.170870 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010143 tlogG= -0.045594 logG= -0.055737 Density= 0.214204 ETOT(band)= -0.232567 trlgG= -0.290532 logG= -0.055737 TDE= -0.340794 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.047165 logG= -0.057365 logGD-logG0= -0.010767 tlogG= -0.047793 logG= -0.058559 logGD-logG0= -0.009819 tlogG= -0.047451 logG= -0.057270 logGD-logG0= -0.010704 tlogG= -0.047987 logG= -0.058692 Density= 0.214902 ETOT(band)= -0.233899 trlgG= -0.294681 logG= -0.058692 TDE= -0.342334 logGD-logG0= -0.010451 tlogG= -0.048034 logG= -0.058485 Density= 0.214365 ETOT(band)= -0.234010 trlgG= -0.294505 logG= -0.058485 TDE= -0.342100 Density= 0.214150 ETOT(band)= -0.233483 trlgG= -0.293305 logG= -0.057270 TDE= -0.342007 logGD-logG0= -0.005350 tlogG= -0.023764 logG= -0.029114 Density= 0.108086 ETOT(band)= -0.116504 trlgG= -0.147001 logG= -0.029114 TDE= -0.171373 Density= 0.213621 ETOT(band)= -0.233694 trlgG= -0.292964 logG= -0.057365 TDE= -0.341309 Density= 0.214489 ETOT(band)= -0.233982 trlgG= -0.294415 logG= -0.058559 TDE= -0.341995 logGD-logG0= -0.010938 tlogG= -0.048022 logG= -0.058960 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214935 ETOT(band)= -0.234036 trlgG= -0.295125 logG= -0.058960 TDE= -0.342525 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.022459 logG= -0.027691 Density= 0.108114 ETOT(band)= -0.115697 trlgG= -0.144742 logG= -0.027691 TDE= -0.170551 logGD-logG0= -0.001689 tlogG= -0.006992 logG= -0.008681 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010564 tlogG= -0.047668 logG= -0.058232 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213789 ETOT(band)= -0.234084 trlgG= -0.294192 logG= -0.058232 TDE= -0.341753 Density= 0.036165 ETOT(band)= -0.038114 trlgG= -0.047309 logG= -0.008681 TDE= -0.056524 logGD-logG0= -0.010247 tlogG= -0.045655 logG= -0.055902 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214983 ETOT(band)= -0.232298 trlgG= -0.290352 logG= -0.055902 TDE= -0.340835 logGD-logG0= -0.001755 tlogG= -0.007305 logG= -0.009060 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035816 ETOT(band)= -0.038561 trlgG= -0.047968 logG= -0.009060 TDE= -0.056631 logGD-logG0= -0.010788 tlogG= -0.047320 logG= -0.058108 Density= 0.214099 ETOT(band)= -0.233879 trlgG= -0.293667 logG= -0.058108 TDE= -0.341506 logGD-logG0= -0.011050 tlogG= -0.048154 logG= -0.059204 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215248 ETOT(band)= -0.234063 trlgG= -0.295564 logG= -0.059204 TDE= -0.342876 logGD-logG0= -0.010560 tlogG= -0.046420 logG= -0.056980 Density= 0.215046 ETOT(band)= -0.232862 trlgG= -0.291984 logG= -0.056980 TDE= -0.341420 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010957 tlogG= -0.047431 logG= -0.058388 Density= 0.215293 ETOT(band)= -0.233533 trlgG= -0.294231 logG= -0.058388 TDE= -0.342381 logGD-logG0= -0.010182 tlogG= -0.048248 logG= -0.058430 Density= 0.214236 ETOT(band)= -0.234061 trlgG= -0.294754 logG= -0.058430 TDE= -0.342340 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010982 tlogG= -0.047889 logG= -0.058871 Density= 0.215590 ETOT(band)= -0.233684 trlgG= -0.295038 logG= -0.058871 TDE= -0.342852 logGD-logG0= -0.010998 tlogG= -0.046889 logG= -0.057887 Density= 0.215256 ETOT(band)= -0.233256 trlgG= -0.293430 logG= -0.057887 TDE= -0.342062 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010173 tlogG= -0.047229 logG= -0.057402 Density= 0.214314 ETOT(band)= -0.233446 trlgG= -0.293081 logG= -0.057402 TDE= -0.341731 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010473 tlogG= -0.047160 logG= -0.057632 Density= 0.214981 ETOT(band)= -0.233264 trlgG= -0.293002 logG= -0.057632 TDE= -0.341753 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.021877 logG= -0.027061 Density= 0.108233 ETOT(band)= -0.115207 trlgG= -0.143686 logG= -0.027061 TDE= -0.170184 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005097 tlogG= -0.021567 logG= -0.026664 Density= 0.108422 ETOT(band)= -0.114842 trlgG= -0.143007 logG= -0.026664 TDE= -0.169995 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005015 tlogG= -0.020992 logG= -0.026008 Density= 0.108617 ETOT(band)= -0.114255 trlgG= -0.141851 logG= -0.026008 TDE= -0.169592 logGD-logG0= -0.004680 tlogG= -0.023589 logG= -0.028268 Density= 0.212475 ETOT(band)= -0.233897 trlgG= -0.293093 logG= -0.028268 TDE= -0.170620 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023742 logG= -0.028367 Density= 0.212939 ETOT(band)= -0.233492 trlgG= -0.292119 logG= -0.028367 TDE= -0.170705 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010926 tlogG= -0.047941 logG= -0.058868 logGD-logG0= -0.011000 tlogG= -0.047528 logG= -0.058529 Density= 0.215523 ETOT(band)= -0.233495 trlgG= -0.294473 logG= -0.058529 TDE= -0.342596 Density= 0.215717 ETOT(band)= -0.233612 trlgG= -0.295037 logG= -0.058868 TDE= -0.342917 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001234 tlogG= -0.005172 logG= -0.006406 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062494 ETOT(band)= -0.067519 trlgG= -0.084313 logG= -0.006406 TDE= -0.042341 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010902 tlogG= -0.047753 logG= -0.058655 Density= 0.214588 ETOT(band)= -0.233989 trlgG= -0.294584 logG= -0.058655 TDE= -0.342119 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022909 logG= -0.028066 Density= 0.214634 ETOT(band)= -0.232318 trlgG= -0.290050 logG= -0.028066 TDE= -0.170357 logGD-logG0= -0.001497 tlogG= -0.007966 logG= -0.009463 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070819 ETOT(band)= -0.077917 trlgG= -0.097570 logG= -0.009463 TDE= -0.056937 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.021820 logG= -0.027084 Density= 0.107704 ETOT(band)= -0.115493 trlgG= -0.143743 logG= -0.027084 TDE= -0.169957 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010857 tlogG= -0.048088 logG= -0.058945 Density= 0.214899 ETOT(band)= -0.234044 trlgG= -0.295097 logG= -0.058945 TDE= -0.342495 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004492 tlogG= -0.024133 logG= -0.028626 Density= 0.212030 ETOT(band)= -0.234276 trlgG= -0.294040 logG= -0.028626 TDE= -0.170902 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010401 tlogG= -0.043395 logG= -0.053797 Density= 0.216102 ETOT(band)= -0.230394 trlgG= -0.286848 logG= -0.053797 TDE= -0.339989 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001253 tlogG= -0.005308 logG= -0.006560 Density= 0.081488 ETOT(band)= -0.085661 trlgG= -0.106351 logG= -0.006560 TDE= -0.042443 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005139 tlogG= -0.021209 logG= -0.026348 Density= 0.216170 ETOT(band)= -0.229964 trlgG= -0.285905 logG= -0.026348 TDE= -0.169727 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005309 tlogG= -0.022442 logG= -0.027751 Density= 0.216193 ETOT(band)= -0.231212 trlgG= -0.288971 logG= -0.027751 TDE= -0.170492 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023976 logG= -0.028745 logGD-logG0= -0.005107 tlogG= -0.023888 logG= -0.028994 Density= 0.213630 ETOT(band)= -0.233923 trlgG= -0.293362 logG= -0.028994 TDE= -0.170716 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212660 ETOT(band)= -0.234178 trlgG= -0.293848 logG= -0.028745 TDE= -0.170758 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.023246 logG= -0.028221 Density= 0.213346 ETOT(band)= -0.233525 trlgG= -0.292580 logG= -0.028221 TDE= -0.170669 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023837 logG= -0.028866 Density= 0.213417 ETOT(band)= -0.234060 trlgG= -0.294100 logG= -0.028866 TDE= -0.170972 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005402 tlogG= -0.023416 logG= -0.028818 Density= 0.216018 ETOT(band)= -0.232586 trlgG= -0.292573 logG= -0.028818 TDE= -0.171112 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005626 tlogG= -0.023360 logG= -0.028985 Density= 0.214937 ETOT(band)= -0.233276 trlgG= -0.293077 logG= -0.028985 TDE= -0.170885 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005469 logG= -0.006741 Density= 0.081133 ETOT(band)= -0.086327 trlgG= -0.107508 logG= -0.006741 TDE= -0.042554 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001326 tlogG= -0.005939 logG= -0.007265 Density= 0.080766 ETOT(band)= -0.087620 trlgG= -0.110501 logG= -0.007265 TDE= -0.042847 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.005620 logG= -0.006905 Density= 0.080774 ETOT(band)= -0.086939 trlgG= -0.108745 logG= -0.006905 TDE= -0.042651 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005748 logG= -0.007055 Density= 0.080573 ETOT(band)= -0.087367 trlgG= -0.109748 logG= -0.007055 TDE= -0.042728 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001321 tlogG= -0.005856 logG= -0.007177 Density= 0.080584 ETOT(band)= -0.087583 trlgG= -0.110304 logG= -0.007177 TDE= -0.042793 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005984 logG= -0.007309 Density= 0.080992 ETOT(band)= -0.087524 trlgG= -0.110555 logG= -0.007309 TDE= -0.042877 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005454 tlogG= -0.023799 logG= -0.029253 Density= 0.215161 ETOT(band)= -0.233687 trlgG= -0.294539 logG= -0.029253 TDE= -0.171348 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.024001 logG= -0.029421 Density= 0.215509 ETOT(band)= -0.233784 trlgG= -0.295192 logG= -0.029421 TDE= -0.171500 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.023999 logG= -0.029383 Density= 0.216171 ETOT(band)= -0.233270 trlgG= -0.294719 logG= -0.029383 TDE= -0.171518 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.023487 logG= -0.028929 Density= 0.215044 ETOT(band)= -0.233250 trlgG= -0.293273 logG= -0.028929 TDE= -0.171091 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.023848 logG= -0.029115 Density= 0.215321 ETOT(band)= -0.233684 trlgG= -0.294640 logG= -0.029115 TDE= -0.171035 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023959 logG= -0.029230 Density= 0.214176 ETOT(band)= -0.234013 trlgG= -0.294274 logG= -0.029230 TDE= -0.170988 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.023369 logG= -0.028245 Density= 0.321393 ETOT(band)= -0.349934 trlgG= -0.439306 logG= -0.028245 TDE= -0.170825 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024159 logG= -0.029370 Density= 0.214573 ETOT(band)= -0.234088 trlgG= -0.294893 logG= -0.029370 TDE= -0.171161 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023957 logG= -0.029333 logGD-logG0= -0.005373 tlogG= -0.022969 logG= -0.028342 Density= 0.216205 ETOT(band)= -0.233166 trlgG= -0.294487 logG= -0.029333 TDE= -0.171491 Density= 0.216048 ETOT(band)= -0.232010 trlgG= -0.290957 logG= -0.028342 TDE= -0.170825 logGD-logG0= -0.011078 tlogG= -0.048045 logG= -0.059123 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001645 tlogG= -0.006875 logG= -0.008520 Density= 0.040812 ETOT(band)= -0.042661 trlgG= -0.052868 logG= -0.008520 TDE= -0.056438 Density= 0.322984 ETOT(band)= -0.350874 trlgG= -0.442914 logG= -0.059123 TDE= -0.342866 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.024088 logG= -0.029529 Density= 0.322800 ETOT(band)= -0.351081 trlgG= -0.443216 logG= -0.029529 TDE= -0.171345 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010841 tlogG= -0.047236 logG= -0.058077 Density= 0.323863 ETOT(band)= -0.349439 trlgG= -0.440226 logG= -0.058077 TDE= -0.342484 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005562 tlogG= -0.023897 logG= -0.029459 logGD-logG0= -0.005515 tlogG= -0.024121 logG= -0.029636 Density= 0.215469 ETOT(band)= -0.233686 trlgG= -0.294919 logG= -0.029459 TDE= -0.171355 Density= 0.215541 ETOT(band)= -0.233940 trlgG= -0.295607 logG= -0.029636 TDE= -0.171532 logGD-logG0= -0.004794 tlogG= -0.023893 logG= -0.028687 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213130 ETOT(band)= -0.233771 trlgG= -0.292855 logG= -0.028687 TDE= -0.170709 logGD-logG0= -0.010066 tlogG= -0.046610 logG= -0.056676 logGD-logG0= -0.004933 tlogG= -0.024008 logG= -0.028941 Density= 0.322455 ETOT(band)= -0.348894 trlgG= -0.436951 logG= -0.056676 TDE= -0.341461 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213959 ETOT(band)= -0.234001 trlgG= -0.294493 logG= -0.028941 TDE= -0.171154 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023248 logG= -0.028468 Density= 0.321456 ETOT(band)= -0.350444 trlgG= -0.440159 logG= -0.028468 TDE= -0.170778 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.024008 logG= -0.028973 Density= 0.321320 ETOT(band)= -0.350984 trlgG= -0.441887 logG= -0.028973 TDE= -0.171150 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023372 logG= -0.028216 Density= 0.214024 ETOT(band)= -0.233287 trlgG= -0.292697 logG= -0.028216 TDE= -0.170833 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005610 tlogG= -0.023683 logG= -0.029293 Density= 0.215234 ETOT(band)= -0.233537 trlgG= -0.294219 logG= -0.029293 TDE= -0.171178 logGD-logG0= -0.005359 tlogG= -0.023200 logG= -0.028558 Density= 0.214702 ETOT(band)= -0.232874 trlgG= -0.291580 logG= -0.028558 TDE= -0.170541 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010027 tlogG= -0.047843 logG= -0.057870 Density= 0.427716 ETOT(band)= -0.467987 trlgG= -0.588571 logG= -0.057870 TDE= -0.342114 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009341 tlogG= -0.048102 logG= -0.057442 Density= 0.425239 ETOT(band)= -0.468153 trlgG= -0.587178 logG= -0.057442 TDE= -0.341630 logGD-logG0= -0.005098 tlogG= -0.021304 logG= -0.026402 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009828 tlogG= -0.046720 logG= -0.056548 Density= 0.427581 ETOT(band)= -0.465954 trlgG= -0.582558 logG= -0.056548 TDE= -0.341067 Density= 0.162511 ETOT(band)= -0.172934 trlgG= -0.216196 logG= -0.026402 TDE= -0.169808 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010699 tlogG= -0.047961 logG= -0.058660 Density= 0.428869 ETOT(band)= -0.468070 trlgG= -0.588985 logG= -0.058660 TDE= -0.341996 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001636 tlogG= -0.007589 logG= -0.009225 logGD-logG0= -0.010202 tlogG= -0.047858 logG= -0.058060 Density= 0.071444 ETOT(band)= -0.077319 trlgG= -0.096274 logG= -0.009225 TDE= -0.056712 Density= 0.428803 ETOT(band)= -0.467770 trlgG= -0.588554 logG= -0.058060 TDE= -0.342103 logGD-logG0= -0.010663 tlogG= -0.048227 logG= -0.058890 Density= 0.429694 ETOT(band)= -0.468118 trlgG= -0.590111 logG= -0.058890 TDE= -0.342369 logGD-logG0= -0.010029 tlogG= -0.047660 logG= -0.057689 Density= 0.426364 ETOT(band)= -0.468190 trlgG= -0.587694 logG= -0.057689 TDE= -0.341644 logGD-logG0= -0.010639 tlogG= -0.047674 logG= -0.058313 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427966 ETOT(band)= -0.467973 trlgG= -0.587903 logG= -0.058313 TDE= -0.341755 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010796 tlogG= -0.047786 logG= -0.058582 Density= 0.324077 ETOT(band)= -0.349808 trlgG= -0.441576 logG= -0.058582 TDE= -0.342876 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.046611 logG= -0.056498 Density= 0.427781 ETOT(band)= -0.466679 trlgG= -0.585171 logG= -0.056498 TDE= -0.341484 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023762 logG= -0.029158 logGD-logG0= -0.010872 tlogG= -0.048078 logG= -0.058950 Density= 0.216096 ETOT(band)= -0.232967 trlgG= -0.293782 logG= -0.029158 TDE= -0.171350 Density= 0.429800 ETOT(band)= -0.467948 trlgG= -0.589783 logG= -0.058950 TDE= -0.342495 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011039 tlogG= -0.047737 logG= -0.058776 Density= 0.430402 ETOT(band)= -0.467375 trlgG= -0.589073 logG= -0.058776 TDE= -0.342512 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010836 tlogG= -0.046417 logG= -0.057253 Density= 0.323732 ETOT(band)= -0.348780 trlgG= -0.438138 logG= -0.057253 TDE= -0.341928 logGD-logG0= -0.010556 tlogG= -0.045638 logG= -0.056194 Density= 0.323782 ETOT(band)= -0.347834 trlgG= -0.435517 logG= -0.056194 TDE= -0.341305 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009983 tlogG= -0.047779 logG= -0.057762 logGD-logG0= -0.010315 tlogG= -0.046405 logG= -0.056720 Density= 0.429204 ETOT(band)= -0.465395 trlgG= -0.582246 logG= -0.056720 TDE= -0.341181 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426864 ETOT(band)= -0.467743 trlgG= -0.586549 logG= -0.057762 TDE= -0.341347 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024165 logG= -0.029402 Density= 0.322185 ETOT(band)= -0.351105 trlgG= -0.442565 logG= -0.029402 TDE= -0.171156 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.046937 logG= -0.057636 Density= 0.429544 ETOT(band)= -0.466316 trlgG= -0.584940 logG= -0.057636 TDE= -0.341464 logGD-logG0= -0.010383 tlogG= -0.047563 logG= -0.057946 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428282 ETOT(band)= -0.467317 trlgG= -0.586945 logG= -0.057946 TDE= -0.341800 logGD-logG0= -0.005547 tlogG= -0.023957 logG= -0.029504 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323394 ETOT(band)= -0.350549 trlgG= -0.442660 logG= -0.029504 TDE= -0.171404 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011075 tlogG= -0.048017 logG= -0.059092 Density= 0.430978 ETOT(band)= -0.467605 trlgG= -0.590429 logG= -0.059092 TDE= -0.342884 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011098 tlogG= -0.047276 logG= -0.058373 Density= 0.430136 ETOT(band)= -0.466948 trlgG= -0.587598 logG= -0.058373 TDE= -0.342129 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010624 tlogG= -0.047576 logG= -0.058201 logGD-logG0= -0.005025 tlogG= -0.022330 logG= -0.027355 Density= 0.429670 ETOT(band)= -0.466965 trlgG= -0.586872 logG= -0.058201 TDE= -0.341909 Density= 0.322623 ETOT(band)= -0.347861 trlgG= -0.434558 logG= -0.027355 TDE= -0.170174 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011150 tlogG= -0.047692 logG= -0.058842 Density= 0.430740 ETOT(band)= -0.467321 trlgG= -0.589434 logG= -0.058842 TDE= -0.342619 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.048153 logG= -0.058683 Density= 0.428965 ETOT(band)= -0.468109 trlgG= -0.589345 logG= -0.058683 TDE= -0.342162 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010347 tlogG= -0.044629 logG= -0.054976 Density= 0.324024 ETOT(band)= -0.346564 trlgG= -0.432506 logG= -0.054976 TDE= -0.340629 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.022294 logG= -0.027433 Density= 0.214104 ETOT(band)= -0.232354 trlgG= -0.289799 logG= -0.027433 TDE= -0.170092 logGD-logG0= -0.001757 tlogG= -0.007117 logG= -0.008874 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072170 ETOT(band)= -0.076455 trlgG= -0.094964 logG= -0.008874 TDE= -0.056598 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004985 tlogG= -0.022329 logG= -0.027314 Density= 0.214864 ETOT(band)= -0.231871 trlgG= -0.289451 logG= -0.027314 TDE= -0.170179 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005106 tlogG= -0.022476 logG= -0.027582 Density= 0.214859 ETOT(band)= -0.231582 trlgG= -0.288405 logG= -0.027582 TDE= -0.170105 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.021882 logG= -0.027153 Density= 0.216447 ETOT(band)= -0.230214 trlgG= -0.286855 logG= -0.027153 TDE= -0.170152 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005181 tlogG= -0.021353 logG= -0.026534 Density= 0.216838 ETOT(band)= -0.229108 trlgG= -0.284652 logG= -0.026534 TDE= -0.169821 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010198 tlogG= -0.044630 logG= -0.054827 Density= 0.431265 ETOT(band)= -0.461929 trlgG= -0.575467 logG= -0.054827 TDE= -0.340266 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.709606592197 eV TrLogG= -407.661119757272 eV Ratio to renormalize= 1.000811598890 rho-rho_expected=-0.017840696085 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964487877731373 0.940066029600332 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000204 tlogG= -0.000852 logG= -0.001056 Density= 0.004539 ETOT(band)= -0.004731 trlgG= -0.005859 logG= -0.001056 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001471 tlogG= -0.008043 logG= -0.009514 Density= 0.035289 ETOT(band)= -0.039054 trlgG= -0.049021 logG= -0.009514 TDE= -0.056970 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023203 logG= -0.028021 Density= 0.106657 ETOT(band)= -0.116560 trlgG= -0.145621 logG= -0.028021 TDE= -0.170380 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023499 logG= -0.028428 Density= 0.106693 ETOT(band)= -0.116752 trlgG= -0.146108 logG= -0.028428 TDE= -0.170476 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002500 tlogG= -0.010424 logG= -0.012925 Density= 0.054329 ETOT(band)= -0.057048 trlgG= -0.070777 logG= -0.012925 TDE= -0.084737 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001755 tlogG= -0.007304 logG= -0.009059 Density= 0.035815 ETOT(band)= -0.038557 trlgG= -0.047961 logG= -0.009059 TDE= -0.056626 logGD-logG0= -0.001689 tlogG= -0.006990 logG= -0.008680 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.036164 ETOT(band)= -0.038110 trlgG= -0.047303 logG= -0.008680 TDE= -0.056519 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005206 tlogG= -0.021691 logG= -0.026897 Density= 0.107842 ETOT(band)= -0.115289 trlgG= -0.143416 logG= -0.026897 TDE= -0.169885 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002425 tlogG= -0.011881 logG= -0.014306 Density= 0.053519 ETOT(band)= -0.058372 trlgG= -0.073343 logG= -0.014306 TDE= -0.085521 logGD-logG0= -0.002431 tlogG= -0.011446 logG= -0.013877 Density= 0.053694 ETOT(band)= -0.058042 trlgG= -0.072579 logG= -0.013877 TDE= -0.085272 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.024044 logG= -0.028785 Density= 0.106310 ETOT(band)= -0.117090 trlgG= -0.146952 logG= -0.028785 TDE= -0.170774 logGD-logG0= -0.002702 tlogG= -0.012031 logG= -0.014733 logGD-logG0= -0.002521 tlogG= -0.012080 logG= -0.014600 Density= 0.053541 ETOT(band)= -0.058517 trlgG= -0.073706 logG= -0.014600 TDE= -0.085600 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053717 ETOT(band)= -0.058507 trlgG= -0.073762 logG= -0.014733 TDE= -0.085612 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.022166 logG= -0.027317 Density= 0.108265 ETOT(band)= -0.115380 trlgG= -0.144117 logG= -0.027317 TDE= -0.170375 logGD-logG0= -0.005193 tlogG= -0.023644 logG= -0.028836 Density= 0.106894 ETOT(band)= -0.116873 trlgG= -0.146448 logG= -0.028836 TDE= -0.170508 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.022729 logG= -0.027960 Density= 0.108154 ETOT(band)= -0.115822 trlgG= -0.145160 logG= -0.027960 TDE= -0.170721 logGD-logG0= -0.005098 tlogG= -0.023894 logG= -0.028992 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106675 ETOT(band)= -0.117054 trlgG= -0.147063 logG= -0.028992 TDE= -0.170859 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.024064 logG= -0.029146 Density= 0.106971 ETOT(band)= -0.117038 trlgG= -0.147320 logG= -0.029146 TDE= -0.171108 logGD-logG0= -0.001551 tlogG= -0.007810 logG= -0.009361 Density= 0.035467 ETOT(band)= -0.038904 trlgG= -0.048657 logG= -0.009361 TDE= -0.056847 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002660 tlogG= -0.011981 logG= -0.014641 Density= 0.054088 ETOT(band)= -0.058272 trlgG= -0.073629 logG= -0.014641 TDE= -0.085754 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004519 tlogG= -0.024048 logG= -0.028567 logGD-logG0= -0.005304 tlogG= -0.022977 logG= -0.028281 Density= 0.106043 ETOT(band)= -0.117099 trlgG= -0.146939 logG= -0.028567 TDE= -0.170848 Density= 0.108041 ETOT(band)= -0.116058 trlgG= -0.145671 logG= -0.028281 TDE= -0.170854 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023424 logG= -0.028771 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.023757 logG= -0.029110 Density= 0.108081 ETOT(band)= -0.116492 trlgG= -0.146983 logG= -0.029110 TDE= -0.171357 Density= 0.108035 ETOT(band)= -0.116329 trlgG= -0.146446 logG= -0.028771 TDE= -0.171136 logGD-logG0= -0.005478 tlogG= -0.024069 logG= -0.029547 Density= 0.107551 ETOT(band)= -0.117016 trlgG= -0.147672 logG= -0.029547 TDE= -0.171346 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.022453 logG= -0.027687 Density= 0.108110 ETOT(band)= -0.115685 trlgG= -0.144724 logG= -0.027687 TDE= -0.170535 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.022847 logG= -0.027907 logGD-logG0= -0.004545 tlogG= -0.023971 logG= -0.028516 logGD-logG0= -0.005340 tlogG= -0.023943 logG= -0.029283 Density= 0.108131 ETOT(band)= -0.116567 trlgG= -0.147261 logG= -0.029283 TDE= -0.171486 Density= 0.106095 ETOT(band)= -0.117056 trlgG= -0.146826 logG= -0.028516 TDE= -0.170810 Density= 0.107658 ETOT(band)= -0.116038 trlgG= -0.145086 logG= -0.027907 TDE= -0.170453 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023865 logG= -0.029192 Density= 0.108151 ETOT(band)= -0.116503 trlgG= -0.147113 logG= -0.029192 TDE= -0.171439 logGD-logG0= -0.005486 tlogG= -0.023680 logG= -0.029166 logGD-logG0= -0.005493 tlogG= -0.024079 logG= -0.029572 logGD-logG0= -0.005329 tlogG= -0.023599 logG= -0.028928 Density= 0.108107 ETOT(band)= -0.116377 trlgG= -0.146691 logG= -0.028928 TDE= -0.171260 logGD-logG0= -0.005510 tlogG= -0.023901 logG= -0.029410 Density= 0.107144 ETOT(band)= -0.116947 trlgG= -0.147000 logG= -0.029166 TDE= -0.170854 logGD-logG0= -0.005297 tlogG= -0.023210 logG= -0.028507 Density= 0.108099 ETOT(band)= -0.116153 trlgG= -0.146028 logG= -0.028507 TDE= -0.171013 logGD-logG0= -0.002730 tlogG= -0.011984 logG= -0.014714 Density= 0.053935 ETOT(band)= -0.058392 trlgG= -0.073748 logG= -0.014714 TDE= -0.085725 Density= 0.107659 ETOT(band)= -0.116883 trlgG= -0.147457 logG= -0.029410 TDE= -0.171322 Density= 0.107793 ETOT(band)= -0.116925 trlgG= -0.147737 logG= -0.029572 TDE= -0.171507 logGD-logG0= -0.004875 tlogG= -0.023667 logG= -0.028543 Density= 0.106519 ETOT(band)= -0.116897 trlgG= -0.146533 logG= -0.028543 TDE= -0.170701 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.022987 logG= -0.027891 logGD-logG0= -0.005526 tlogG= -0.024125 logG= -0.029651 Density= 0.107717 ETOT(band)= -0.117013 trlgG= -0.147862 logG= -0.029651 TDE= -0.171515 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106792 ETOT(band)= -0.116430 trlgG= -0.145357 logG= -0.027891 TDE= -0.170312 logGD-logG0= -0.005194 tlogG= -0.024089 logG= -0.029283 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107291 ETOT(band)= -0.116979 trlgG= -0.147297 logG= -0.029283 TDE= -0.171107 logGD-logG0= -0.005209 tlogG= -0.022405 logG= -0.027614 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107547 ETOT(band)= -0.115908 trlgG= -0.144598 logG= -0.027614 TDE= -0.170204 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.022873 logG= -0.028181 Density= 0.107528 ETOT(band)= -0.116242 trlgG= -0.145495 logG= -0.028181 TDE= -0.170525 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.023685 logG= -0.028714 Density= 0.107291 ETOT(band)= -0.116667 trlgG= -0.146554 logG= -0.028714 TDE= -0.170933 logGD-logG0= -0.004908 tlogG= -0.023682 logG= -0.028590 Density= 0.106893 ETOT(band)= -0.116783 trlgG= -0.146641 logG= -0.028590 TDE= -0.170947 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.022848 logG= -0.027786 logGD-logG0= -0.005429 tlogG= -0.023963 logG= -0.029393 Density= 0.107213 ETOT(band)= -0.116179 trlgG= -0.145208 logG= -0.027786 TDE= -0.170476 Density= 0.107354 ETOT(band)= -0.117001 trlgG= -0.147397 logG= -0.029393 TDE= -0.171128 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005499 tlogG= -0.023195 logG= -0.028693 Density= 0.107592 ETOT(band)= -0.116492 trlgG= -0.146306 logG= -0.028693 TDE= -0.170854 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005478 tlogG= -0.023863 logG= -0.029341 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107821 ETOT(band)= -0.116752 trlgG= -0.147352 logG= -0.029341 TDE= -0.171367 logGD-logG0= -0.010185 tlogG= -0.048235 logG= -0.058420 Density= 0.214228 ETOT(band)= -0.234036 trlgG= -0.294717 logG= -0.058420 TDE= -0.342308 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010050 tlogG= -0.047150 logG= -0.057200 Density= 0.213603 ETOT(band)= -0.233623 trlgG= -0.293133 logG= -0.057200 TDE= -0.341635 logGD-logG0= -0.005468 tlogG= -0.024051 logG= -0.029518 Density= 0.107852 ETOT(band)= -0.116858 trlgG= -0.147649 logG= -0.029518 TDE= -0.171502 logGD-logG0= -0.005515 tlogG= -0.023572 logG= -0.029087 Density= 0.107707 ETOT(band)= -0.116655 trlgG= -0.146936 logG= -0.029087 TDE= -0.171148 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047891 logG= -0.058222 Density= 0.213800 ETOT(band)= -0.234071 trlgG= -0.294401 logG= -0.058222 TDE= -0.341978 logGD-logG0= -0.009501 tlogG= -0.047627 logG= -0.057129 Density= 0.212770 ETOT(band)= -0.233916 trlgG= -0.293205 logG= -0.057129 TDE= -0.341365 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010146 tlogG= -0.045582 logG= -0.055728 Density= 0.214198 ETOT(band)= -0.232541 trlgG= -0.290495 logG= -0.055728 TDE= -0.340762 logGD-logG0= -0.010905 tlogG= -0.047741 logG= -0.058646 Density= 0.214580 ETOT(band)= -0.233963 trlgG= -0.294546 logG= -0.058646 TDE= -0.342085 logGD-logG0= -0.009867 tlogG= -0.045753 logG= -0.055619 Density= 0.214846 ETOT(band)= -0.232195 trlgG= -0.290322 logG= -0.055619 TDE= -0.341019 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010860 tlogG= -0.048076 logG= -0.058936 Density= 0.214890 ETOT(band)= -0.234019 trlgG= -0.295059 logG= -0.058936 TDE= -0.342462 logGD-logG0= -0.009929 tlogG= -0.047931 logG= -0.057859 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047155 logG= -0.057356 logGD-logG0= -0.009822 tlogG= -0.047439 logG= -0.057261 Density= 0.213613 ETOT(band)= -0.233668 trlgG= -0.292926 logG= -0.057356 TDE= -0.341277 Density= 0.214142 ETOT(band)= -0.233457 trlgG= -0.293268 logG= -0.057261 TDE= -0.341975 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213112 ETOT(band)= -0.234129 trlgG= -0.293847 logG= -0.057859 TDE= -0.341446 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010707 tlogG= -0.047975 logG= -0.058682 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214894 ETOT(band)= -0.233874 trlgG= -0.294642 logG= -0.058682 TDE= -0.342300 logGD-logG0= -0.010454 tlogG= -0.048022 logG= -0.058475 Density= 0.214357 ETOT(band)= -0.233984 trlgG= -0.294468 logG= -0.058475 TDE= -0.342068 logGD-logG0= -0.010769 tlogG= -0.047781 logG= -0.058550 Density= 0.214480 ETOT(band)= -0.233956 trlgG= -0.294376 logG= -0.058550 TDE= -0.341961 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010932 tlogG= -0.047927 logG= -0.058859 logGD-logG0= -0.010940 tlogG= -0.048011 logG= -0.058951 Density= 0.215708 ETOT(band)= -0.233588 trlgG= -0.294999 logG= -0.058859 TDE= -0.342883 Density= 0.214927 ETOT(band)= -0.234010 trlgG= -0.295086 logG= -0.058951 TDE= -0.342492 logGD-logG0= -0.010566 tlogG= -0.047657 logG= -0.058223 logGD-logG0= -0.011006 tlogG= -0.047514 logG= -0.058520 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213781 ETOT(band)= -0.234058 trlgG= -0.294154 logG= -0.058223 TDE= -0.341721 Density= 0.215514 ETOT(band)= -0.233470 trlgG= -0.294435 logG= -0.058520 TDE= -0.342562 logGD-logG0= -0.010562 tlogG= -0.046409 logG= -0.056971 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.045643 logG= -0.055893 Density= 0.215038 ETOT(band)= -0.232837 trlgG= -0.291946 logG= -0.056971 TDE= -0.341387 Density= 0.214976 ETOT(band)= -0.232272 trlgG= -0.290316 logG= -0.055893 TDE= -0.340803 logGD-logG0= -0.010789 tlogG= -0.047310 logG= -0.058098 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214091 ETOT(band)= -0.233853 trlgG= -0.293629 logG= -0.058098 TDE= -0.341473 logGD-logG0= -0.011052 tlogG= -0.048143 logG= -0.059195 logGD-logG0= -0.010987 tlogG= -0.047875 logG= -0.058862 Density= 0.215239 ETOT(band)= -0.234038 trlgG= -0.295526 logG= -0.059195 TDE= -0.342842 logGD-logG0= -0.002561 tlogG= -0.010839 logG= -0.013400 Density= 0.054017 ETOT(band)= -0.057564 trlgG= -0.071621 logG= -0.013400 TDE= -0.084952 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215581 ETOT(band)= -0.233659 trlgG= -0.295000 logG= -0.058862 TDE= -0.342818 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010959 tlogG= -0.047420 logG= -0.058379 Density= 0.215284 ETOT(band)= -0.233509 trlgG= -0.294193 logG= -0.058379 TDE= -0.342347 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011001 tlogG= -0.046878 logG= -0.057878 logGD-logG0= -0.010176 tlogG= -0.047217 logG= -0.057393 Density= 0.215248 ETOT(band)= -0.233231 trlgG= -0.293392 logG= -0.057878 TDE= -0.342029 Density= 0.214306 ETOT(band)= -0.233420 trlgG= -0.293043 logG= -0.057393 TDE= -0.341699 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.047148 logG= -0.057623 Density= 0.214973 ETOT(band)= -0.233239 trlgG= -0.292963 logG= -0.057623 TDE= -0.341719 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.021871 logG= -0.027057 Density= 0.108229 ETOT(band)= -0.115195 trlgG= -0.143668 logG= -0.027057 TDE= -0.170168 logGD-logG0= -0.005018 tlogG= -0.020986 logG= -0.026004 Density= 0.108612 ETOT(band)= -0.114242 trlgG= -0.141833 logG= -0.026004 TDE= -0.169576 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005099 tlogG= -0.021561 logG= -0.026660 Density= 0.108418 ETOT(band)= -0.114829 trlgG= -0.142989 logG= -0.026660 TDE= -0.169980 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004625 tlogG= -0.023737 logG= -0.028362 Density= 0.212933 ETOT(band)= -0.233466 trlgG= -0.292081 logG= -0.028362 TDE= -0.170689 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001235 tlogG= -0.005170 logG= -0.006405 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062492 ETOT(band)= -0.067512 trlgG= -0.084302 logG= -0.006405 TDE= -0.042337 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004794 tlogG= -0.023888 logG= -0.028683 Density= 0.213123 ETOT(band)= -0.233744 trlgG= -0.292817 logG= -0.028683 TDE= -0.170694 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.021814 logG= -0.027079 Density= 0.107700 ETOT(band)= -0.115480 trlgG= -0.143725 logG= -0.027079 TDE= -0.169941 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001636 tlogG= -0.007587 logG= -0.009223 Density= 0.071442 ETOT(band)= -0.077310 trlgG= -0.096262 logG= -0.009223 TDE= -0.056707 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005306 logG= -0.006559 Density= 0.081485 ETOT(band)= -0.085652 trlgG= -0.106337 logG= -0.006559 TDE= -0.042439 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010405 tlogG= -0.043384 logG= -0.053789 Density= 0.216094 ETOT(band)= -0.230369 trlgG= -0.286811 logG= -0.053789 TDE= -0.339957 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001646 tlogG= -0.006873 logG= -0.008519 Density= 0.040811 ETOT(band)= -0.042656 trlgG= -0.052862 logG= -0.008519 TDE= -0.056433 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001758 tlogG= -0.007115 logG= -0.008873 Density= 0.072168 ETOT(band)= -0.076447 trlgG= -0.094953 logG= -0.008873 TDE= -0.056593 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005142 tlogG= -0.021202 logG= -0.026344 Density= 0.216162 ETOT(band)= -0.229940 trlgG= -0.285869 logG= -0.026344 TDE= -0.169711 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001286 tlogG= -0.005618 logG= -0.006904 Density= 0.080771 ETOT(band)= -0.086929 trlgG= -0.108731 logG= -0.006904 TDE= -0.042647 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005747 logG= -0.007054 Density= 0.080570 ETOT(band)= -0.087357 trlgG= -0.109734 logG= -0.007054 TDE= -0.042724 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.022962 logG= -0.028338 Density= 0.216039 ETOT(band)= -0.231986 trlgG= -0.290920 logG= -0.028338 TDE= -0.170809 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001327 tlogG= -0.005937 logG= -0.007264 logGD-logG0= -0.005107 tlogG= -0.023883 logG= -0.028990 Density= 0.080762 ETOT(band)= -0.087610 trlgG= -0.110486 logG= -0.007264 TDE= -0.042843 Density= 0.213622 ETOT(band)= -0.233897 trlgG= -0.293324 logG= -0.028990 TDE= -0.170700 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004935 tlogG= -0.024002 logG= -0.028937 logGD-logG0= -0.001322 tlogG= -0.005854 logG= -0.007176 Density= 0.213952 ETOT(band)= -0.233976 trlgG= -0.294455 logG= -0.028937 TDE= -0.171138 Density= 0.080581 ETOT(band)= -0.087574 trlgG= -0.110290 logG= -0.007176 TDE= -0.042789 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005030 tlogG= -0.023831 logG= -0.028861 Density= 0.213410 ETOT(band)= -0.234034 trlgG= -0.294062 logG= -0.028861 TDE= -0.170956 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.022436 logG= -0.027747 Density= 0.216185 ETOT(band)= -0.231187 trlgG= -0.288935 logG= -0.027747 TDE= -0.170475 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005982 logG= -0.007307 Density= 0.080989 ETOT(band)= -0.087515 trlgG= -0.110541 logG= -0.007307 TDE= -0.042873 logGD-logG0= -0.004769 tlogG= -0.023971 logG= -0.028740 Density= 0.212653 ETOT(band)= -0.234151 trlgG= -0.293810 logG= -0.028740 TDE= -0.170742 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005423 tlogG= -0.023994 logG= -0.029417 Density= 0.215500 ETOT(band)= -0.233759 trlgG= -0.295154 logG= -0.029417 TDE= -0.171484 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001497 tlogG= -0.007964 logG= -0.009461 Density= 0.070817 ETOT(band)= -0.077908 trlgG= -0.097557 logG= -0.009461 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005457 tlogG= -0.023792 logG= -0.029249 Density= 0.215152 ETOT(band)= -0.233662 trlgG= -0.294502 logG= -0.029249 TDE= -0.171331 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005386 tlogG= -0.023992 logG= -0.029379 Density= 0.216162 ETOT(band)= -0.233245 trlgG= -0.294682 logG= -0.029379 TDE= -0.171501 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004493 tlogG= -0.024128 logG= -0.028621 Density= 0.212024 ETOT(band)= -0.234248 trlgG= -0.294001 logG= -0.028621 TDE= -0.170886 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023482 logG= -0.028925 Density= 0.215036 ETOT(band)= -0.233225 trlgG= -0.293236 logG= -0.028925 TDE= -0.171074 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023952 logG= -0.029225 Density= 0.214168 ETOT(band)= -0.233988 trlgG= -0.294236 logG= -0.029225 TDE= -0.170971 logGD-logG0= -0.004967 tlogG= -0.024001 logG= -0.028969 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321308 ETOT(band)= -0.350946 trlgG= -0.441831 logG= -0.028969 TDE= -0.171134 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023842 logG= -0.029111 Density= 0.215312 ETOT(band)= -0.233659 trlgG= -0.294602 logG= -0.029111 TDE= -0.171018 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023366 logG= -0.028212 Density= 0.214017 ETOT(band)= -0.233261 trlgG= -0.292659 logG= -0.028212 TDE= -0.170817 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005405 tlogG= -0.023409 logG= -0.028813 Density= 0.216010 ETOT(band)= -0.232561 trlgG= -0.292536 logG= -0.028813 TDE= -0.171095 logGD-logG0= -0.004877 tlogG= -0.023363 logG= -0.028240 logGD-logG0= -0.004977 tlogG= -0.023239 logG= -0.028216 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321382 ETOT(band)= -0.349895 trlgG= -0.439250 logG= -0.028240 TDE= -0.170809 logGD-logG0= -0.005518 tlogG= -0.024114 logG= -0.029631 Density= 0.215532 ETOT(band)= -0.233915 trlgG= -0.295569 logG= -0.029631 TDE= -0.171515 logGD-logG0= -0.005239 tlogG= -0.024158 logG= -0.029397 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213339 ETOT(band)= -0.233498 trlgG= -0.292541 logG= -0.028216 TDE= -0.170652 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322172 ETOT(band)= -0.351067 trlgG= -0.442508 logG= -0.029397 TDE= -0.171140 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023949 logG= -0.029329 Density= 0.216196 ETOT(band)= -0.233142 trlgG= -0.294450 logG= -0.029329 TDE= -0.171475 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010802 tlogG= -0.047772 logG= -0.058574 Density= 0.324063 ETOT(band)= -0.349772 trlgG= -0.441520 logG= -0.058574 TDE= -0.342843 logGD-logG0= -0.004680 tlogG= -0.023583 logG= -0.028264 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212468 ETOT(band)= -0.233870 trlgG= -0.293055 logG= -0.028264 TDE= -0.170604 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023755 logG= -0.029154 Density= 0.216087 ETOT(band)= -0.232942 trlgG= -0.293745 logG= -0.029154 TDE= -0.171334 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010847 tlogG= -0.047222 logG= -0.058069 logGD-logG0= -0.011082 tlogG= -0.048032 logG= -0.059114 Density= 0.323850 ETOT(band)= -0.349402 trlgG= -0.440170 logG= -0.058069 TDE= -0.342451 Density= 0.322970 ETOT(band)= -0.350836 trlgG= -0.442857 logG= -0.059114 TDE= -0.342832 logGD-logG0= -0.010558 tlogG= -0.045627 logG= -0.056185 logGD-logG0= -0.010069 tlogG= -0.046598 logG= -0.056667 Density= 0.322443 ETOT(band)= -0.348856 trlgG= -0.436896 logG= -0.056667 TDE= -0.341429 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323770 ETOT(band)= -0.347797 trlgG= -0.435462 logG= -0.056185 TDE= -0.341273 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.024082 logG= -0.029524 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322786 ETOT(band)= -0.351043 trlgG= -0.443159 logG= -0.029524 TDE= -0.171328 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005550 tlogG= -0.023949 logG= -0.029499 Density= 0.323380 ETOT(band)= -0.350512 trlgG= -0.442604 logG= -0.029499 TDE= -0.171387 logGD-logG0= -0.010842 tlogG= -0.046403 logG= -0.057245 Density= 0.323719 ETOT(band)= -0.348743 trlgG= -0.438083 logG= -0.057245 TDE= -0.341895 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.023195 logG= -0.028554 Density= 0.214695 ETOT(band)= -0.232849 trlgG= -0.291542 logG= -0.028554 TDE= -0.170524 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005626 tlogG= -0.023354 logG= -0.028981 Density= 0.214929 ETOT(band)= -0.233251 trlgG= -0.293039 logG= -0.028981 TDE= -0.170868 logGD-logG0= -0.005565 tlogG= -0.023890 logG= -0.029455 Density= 0.215460 ETOT(band)= -0.233661 trlgG= -0.294881 logG= -0.029455 TDE= -0.171339 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023242 logG= -0.028464 Density= 0.321445 ETOT(band)= -0.350405 trlgG= -0.440102 logG= -0.028464 TDE= -0.170761 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005613 tlogG= -0.023676 logG= -0.029289 logGD-logG0= -0.005157 tlogG= -0.022904 logG= -0.028062 Density= 0.215225 ETOT(band)= -0.233512 trlgG= -0.294181 logG= -0.029289 TDE= -0.171161 Density= 0.214627 ETOT(band)= -0.232292 trlgG= -0.290012 logG= -0.028062 TDE= -0.170341 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010030 tlogG= -0.047830 logG= -0.057860 Density= 0.427701 ETOT(band)= -0.467935 trlgG= -0.588495 logG= -0.057860 TDE= -0.342082 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009342 tlogG= -0.048091 logG= -0.057433 Density= 0.425227 ETOT(band)= -0.468100 trlgG= -0.587102 logG= -0.057433 TDE= -0.341599 logGD-logG0= -0.010533 tlogG= -0.048141 logG= -0.058674 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428949 ETOT(band)= -0.468058 trlgG= -0.589269 logG= -0.058674 TDE= -0.342130 logGD-logG0= -0.009890 tlogG= -0.046598 logG= -0.056488 Density= 0.427766 ETOT(band)= -0.466627 trlgG= -0.585095 logG= -0.056488 TDE= -0.341452 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.021298 logG= -0.026398 logGD-logG0= -0.009829 tlogG= -0.046710 logG= -0.056539 Density= 0.427568 ETOT(band)= -0.465902 trlgG= -0.582482 logG= -0.056539 TDE= -0.341035 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162504 ETOT(band)= -0.172915 trlgG= -0.216169 logG= -0.026398 TDE= -0.169792 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010205 tlogG= -0.047846 logG= -0.058051 logGD-logG0= -0.010702 tlogG= -0.047949 logG= -0.058651 Density= 0.428853 ETOT(band)= -0.468019 trlgG= -0.588908 logG= -0.058651 TDE= -0.341963 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428787 ETOT(band)= -0.467719 trlgG= -0.588479 logG= -0.058051 TDE= -0.342071 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.024153 logG= -0.029366 Density= 0.214564 ETOT(band)= -0.234063 trlgG= -0.294855 logG= -0.029366 TDE= -0.171145 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010641 tlogG= -0.047663 logG= -0.058304 Density= 0.427951 ETOT(band)= -0.467922 trlgG= -0.587827 logG= -0.058304 TDE= -0.341723 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010875 tlogG= -0.048066 logG= -0.058941 logGD-logG0= -0.010665 tlogG= -0.048215 logG= -0.058881 Density= 0.429677 ETOT(band)= -0.468067 trlgG= -0.590033 logG= -0.058881 TDE= -0.342335 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011156 tlogG= -0.047677 logG= -0.058833 Density= 0.429783 ETOT(band)= -0.467898 trlgG= -0.589706 logG= -0.058941 TDE= -0.342461 Density= 0.430722 ETOT(band)= -0.467271 trlgG= -0.589359 logG= -0.058833 TDE= -0.342586 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009983 tlogG= -0.047769 logG= -0.057753 logGD-logG0= -0.010029 tlogG= -0.047651 logG= -0.057680 Density= 0.426350 ETOT(band)= -0.468138 trlgG= -0.587617 logG= -0.057680 TDE= -0.341611 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426850 ETOT(band)= -0.467691 trlgG= -0.586473 logG= -0.057753 TDE= -0.341314 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011041 tlogG= -0.047726 logG= -0.058767 Density= 0.430385 ETOT(band)= -0.467325 trlgG= -0.588996 logG= -0.058767 TDE= -0.342479 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.046925 logG= -0.057627 Density= 0.429529 ETOT(band)= -0.466266 trlgG= -0.584863 logG= -0.057627 TDE= -0.341431 logGD-logG0= -0.011081 tlogG= -0.048002 logG= -0.059083 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430960 ETOT(band)= -0.467555 trlgG= -0.590354 logG= -0.059083 TDE= -0.342850 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010318 tlogG= -0.046393 logG= -0.056711 Density= 0.429189 ETOT(band)= -0.465344 trlgG= -0.582172 logG= -0.056711 TDE= -0.341149 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010386 tlogG= -0.047551 logG= -0.057937 Density= 0.428267 ETOT(band)= -0.467266 trlgG= -0.586870 logG= -0.057937 TDE= -0.341768 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005467 logG= -0.006740 Density= 0.081130 ETOT(band)= -0.086318 trlgG= -0.107495 logG= -0.006740 TDE= -0.042550 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011100 tlogG= -0.047264 logG= -0.058364 logGD-logG0= -0.010627 tlogG= -0.047565 logG= -0.058191 Density= 0.430119 ETOT(band)= -0.466899 trlgG= -0.587522 logG= -0.058364 TDE= -0.342095 Density= 0.429654 ETOT(band)= -0.466915 trlgG= -0.586795 logG= -0.058191 TDE= -0.341875 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.022323 logG= -0.027310 Density= 0.214857 ETOT(band)= -0.231846 trlgG= -0.289414 logG= -0.027310 TDE= -0.170163 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005027 tlogG= -0.022324 logG= -0.027351 Density= 0.322611 ETOT(band)= -0.347824 trlgG= -0.434503 logG= -0.027351 TDE= -0.170158 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010350 tlogG= -0.044617 logG= -0.054968 Density= 0.324012 ETOT(band)= -0.346527 trlgG= -0.432452 logG= -0.054968 TDE= -0.340597 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022288 logG= -0.027429 Density= 0.214097 ETOT(band)= -0.232329 trlgG= -0.289762 logG= -0.027429 TDE= -0.170076 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.022471 logG= -0.027578 Density= 0.214852 ETOT(band)= -0.231556 trlgG= -0.288368 logG= -0.027578 TDE= -0.170089 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.021875 logG= -0.027148 Density= 0.216439 ETOT(band)= -0.230190 trlgG= -0.286819 logG= -0.027148 TDE= -0.170136 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005183 tlogG= -0.021347 logG= -0.026530 Density= 0.216830 ETOT(band)= -0.229083 trlgG= -0.284617 logG= -0.026530 TDE= -0.169805 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010201 tlogG= -0.044618 logG= -0.054819 Density= 0.431250 ETOT(band)= -0.461879 trlgG= -0.575394 logG= -0.054819 TDE= -0.340234 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.674322031297 eV TrLogG= -407.603178804567 eV Ratio to renormalize= 1.000848730832 rho-rho_expected=-0.018656244179 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964461489262502 0.940035184622717 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002425 tlogG= -0.011881 logG= -0.014306 Density= 0.053519 ETOT(band)= -0.058372 trlgG= -0.073342 logG= -0.014306 TDE= -0.085520 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.022165 logG= -0.027316 Density= 0.108264 ETOT(band)= -0.115379 trlgG= -0.144116 logG= -0.027316 TDE= -0.170374 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.024044 logG= -0.028785 Density= 0.106310 ETOT(band)= -0.117090 trlgG= -0.146951 logG= -0.028785 TDE= -0.170774 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005486 tlogG= -0.023680 logG= -0.029166 Density= 0.107144 ETOT(band)= -0.116946 trlgG= -0.146999 logG= -0.029166 TDE= -0.170853 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023667 logG= -0.028542 logGD-logG0= -0.005098 tlogG= -0.023893 logG= -0.028992 Density= 0.106675 ETOT(band)= -0.117053 trlgG= -0.147062 logG= -0.028992 TDE= -0.170858 Density= 0.106518 ETOT(band)= -0.116897 trlgG= -0.146532 logG= -0.028542 TDE= -0.170700 logGD-logG0= -0.005193 tlogG= -0.023644 logG= -0.028836 logGD-logG0= -0.005082 tlogG= -0.024064 logG= -0.029146 Density= 0.106971 ETOT(band)= -0.117037 trlgG= -0.147319 logG= -0.029146 TDE= -0.171108 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106894 ETOT(band)= -0.116872 trlgG= -0.146447 logG= -0.028836 TDE= -0.170507 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002521 tlogG= -0.012079 logG= -0.014600 Density= 0.053541 ETOT(band)= -0.058516 trlgG= -0.073705 logG= -0.014600 TDE= -0.085600 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001551 tlogG= -0.007810 logG= -0.009361 Density= 0.035467 ETOT(band)= -0.038904 trlgG= -0.048657 logG= -0.009361 TDE= -0.056847 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002660 tlogG= -0.011980 logG= -0.014641 Density= 0.054088 ETOT(band)= -0.058271 trlgG= -0.073628 logG= -0.014641 TDE= -0.085753 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004519 tlogG= -0.024048 logG= -0.028566 Density= 0.106043 ETOT(band)= -0.117099 trlgG= -0.146938 logG= -0.028566 TDE= -0.170847 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005429 tlogG= -0.023963 logG= -0.029393 Density= 0.107354 ETOT(band)= -0.117000 trlgG= -0.147396 logG= -0.029393 TDE= -0.171127 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002730 tlogG= -0.011984 logG= -0.014714 Density= 0.053935 ETOT(band)= -0.058391 trlgG= -0.073748 logG= -0.014714 TDE= -0.085724 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023498 logG= -0.028428 Density= 0.106693 ETOT(band)= -0.116751 trlgG= -0.146107 logG= -0.028428 TDE= -0.170476 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005515 tlogG= -0.023572 logG= -0.029087 Density= 0.107707 ETOT(band)= -0.116654 trlgG= -0.146935 logG= -0.029087 TDE= -0.171147 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010147 tlogG= -0.045581 logG= -0.055728 Density= 0.214197 ETOT(band)= -0.232540 trlgG= -0.290493 logG= -0.055728 TDE= -0.340761 logGD-logG0= -0.009929 tlogG= -0.047930 logG= -0.057859 Density= 0.213111 ETOT(band)= -0.234128 trlgG= -0.293845 logG= -0.057859 TDE= -0.341444 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.006990 logG= -0.008680 Density= 0.036164 ETOT(band)= -0.038110 trlgG= -0.047303 logG= -0.008680 TDE= -0.056519 logGD-logG0= -0.010250 tlogG= -0.045643 logG= -0.055893 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214975 ETOT(band)= -0.232271 trlgG= -0.290314 logG= -0.055893 TDE= -0.340802 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001755 tlogG= -0.007304 logG= -0.009059 Density= 0.035815 ETOT(band)= -0.038557 trlgG= -0.047961 logG= -0.009059 TDE= -0.056625 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002500 tlogG= -0.010424 logG= -0.012925 Density= 0.054329 ETOT(band)= -0.057048 trlgG= -0.070777 logG= -0.012925 TDE= -0.084737 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000204 tlogG= -0.000852 logG= -0.001056 Density= 0.004539 ETOT(band)= -0.004731 trlgG= -0.005859 logG= -0.001056 TDE= -0.007049 logGD-logG0= -0.002702 tlogG= -0.012030 logG= -0.014733 Density= 0.053717 ETOT(band)= -0.058507 trlgG= -0.073762 logG= -0.014733 TDE= -0.085611 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001471 tlogG= -0.008043 logG= -0.009514 Density= 0.035289 ETOT(band)= -0.039054 trlgG= -0.049021 logG= -0.009514 TDE= -0.056970 logGD-logG0= -0.002431 tlogG= -0.011446 logG= -0.013877 Density= 0.053694 ETOT(band)= -0.058042 trlgG= -0.072578 logG= -0.013877 TDE= -0.085272 logGD-logG0= -0.005018 tlogG= -0.020985 logG= -0.026003 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108612 ETOT(band)= -0.114242 trlgG= -0.141832 logG= -0.026003 TDE= -0.169576 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005353 tlogG= -0.023757 logG= -0.029110 Density= 0.108081 ETOT(band)= -0.116491 trlgG= -0.146982 logG= -0.029110 TDE= -0.171356 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.022452 logG= -0.027687 Density= 0.108110 ETOT(band)= -0.115684 trlgG= -0.144723 logG= -0.027687 TDE= -0.170534 logGD-logG0= -0.005347 tlogG= -0.023424 logG= -0.028771 Density= 0.108035 ETOT(band)= -0.116329 trlgG= -0.146445 logG= -0.028771 TDE= -0.171135 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023971 logG= -0.028516 Density= 0.106094 ETOT(band)= -0.117055 trlgG= -0.146825 logG= -0.028516 TDE= -0.170810 logGD-logG0= -0.005304 tlogG= -0.022977 logG= -0.028281 Density= 0.108041 ETOT(band)= -0.116058 trlgG= -0.145670 logG= -0.028281 TDE= -0.170853 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.023943 logG= -0.029283 Density= 0.108131 ETOT(band)= -0.116567 trlgG= -0.147260 logG= -0.029283 TDE= -0.171486 logGD-logG0= -0.005478 tlogG= -0.024069 logG= -0.029547 Density= 0.107550 ETOT(band)= -0.117015 trlgG= -0.147671 logG= -0.029547 TDE= -0.171345 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.024089 logG= -0.029282 Density= 0.107290 ETOT(band)= -0.116978 trlgG= -0.147296 logG= -0.029282 TDE= -0.171106 logGD-logG0= -0.004818 tlogG= -0.023202 logG= -0.028020 logGD-logG0= -0.005029 tlogG= -0.023684 logG= -0.028714 logGD-logG0= -0.005493 tlogG= -0.024079 logG= -0.029572 Density= 0.107291 ETOT(band)= -0.116666 trlgG= -0.146553 logG= -0.028714 TDE= -0.170932 Density= 0.107793 ETOT(band)= -0.116925 trlgG= -0.147737 logG= -0.029572 TDE= -0.171506 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106657 ETOT(band)= -0.116559 trlgG= -0.145620 logG= -0.028020 TDE= -0.170379 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.023210 logG= -0.028507 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108099 ETOT(band)= -0.116152 trlgG= -0.146027 logG= -0.028507 TDE= -0.171012 logGD-logG0= -0.005526 tlogG= -0.024125 logG= -0.029651 Density= 0.107717 ETOT(band)= -0.117012 trlgG= -0.147861 logG= -0.029651 TDE= -0.171514 logGD-logG0= -0.005510 tlogG= -0.023900 logG= -0.029410 Density= 0.107658 ETOT(band)= -0.116882 trlgG= -0.147456 logG= -0.029410 TDE= -0.171321 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.022405 logG= -0.027614 Density= 0.107547 ETOT(band)= -0.115907 trlgG= -0.144597 logG= -0.027614 TDE= -0.170203 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005746 logG= -0.007054 Density= 0.080570 ETOT(band)= -0.087357 trlgG= -0.109733 logG= -0.007054 TDE= -0.042723 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.022729 logG= -0.027959 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108154 ETOT(band)= -0.115822 trlgG= -0.145159 logG= -0.027959 TDE= -0.170720 logGD-logG0= -0.005327 tlogG= -0.023864 logG= -0.029192 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.022987 logG= -0.027891 Density= 0.106792 ETOT(band)= -0.116429 trlgG= -0.145356 logG= -0.027891 TDE= -0.170311 Density= 0.108151 ETOT(band)= -0.116502 trlgG= -0.147112 logG= -0.029192 TDE= -0.171439 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.023681 logG= -0.028590 logGD-logG0= -0.005061 tlogG= -0.022846 logG= -0.027907 Density= 0.106893 ETOT(band)= -0.116782 trlgG= -0.146640 logG= -0.028590 TDE= -0.170946 logGD-logG0= -0.005329 tlogG= -0.023599 logG= -0.028928 Density= 0.108107 ETOT(band)= -0.116376 trlgG= -0.146690 logG= -0.028928 TDE= -0.171259 Density= 0.107658 ETOT(band)= -0.116037 trlgG= -0.145085 logG= -0.027907 TDE= -0.170452 logGD-logG0= -0.005308 tlogG= -0.022873 logG= -0.028180 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107527 ETOT(band)= -0.116242 trlgG= -0.145494 logG= -0.028180 TDE= -0.170524 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.022847 logG= -0.027786 logGD-logG0= -0.010185 tlogG= -0.048235 logG= -0.058420 Density= 0.214228 ETOT(band)= -0.234034 trlgG= -0.294715 logG= -0.058420 TDE= -0.342306 logGD-logG0= -0.005499 tlogG= -0.023195 logG= -0.028693 Density= 0.107213 ETOT(band)= -0.116179 trlgG= -0.145207 logG= -0.027786 TDE= -0.170476 Density= 0.107592 ETOT(band)= -0.116491 trlgG= -0.146305 logG= -0.028693 TDE= -0.170854 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005478 tlogG= -0.023862 logG= -0.029341 Density= 0.107821 ETOT(band)= -0.116751 trlgG= -0.147352 logG= -0.029341 TDE= -0.171366 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005468 tlogG= -0.024050 logG= -0.029518 Density= 0.107852 ETOT(band)= -0.116858 trlgG= -0.147648 logG= -0.029518 TDE= -0.171501 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009867 tlogG= -0.045752 logG= -0.055619 logGD-logG0= -0.009501 tlogG= -0.047627 logG= -0.057128 Density= 0.214845 ETOT(band)= -0.232194 trlgG= -0.290320 logG= -0.055619 TDE= -0.341017 Density= 0.212770 ETOT(band)= -0.233915 trlgG= -0.293203 logG= -0.057128 TDE= -0.341364 logGD-logG0= -0.010201 tlogG= -0.047155 logG= -0.057356 logGD-logG0= -0.005273 tlogG= -0.023952 logG= -0.029225 Density= 0.213613 ETOT(band)= -0.233667 trlgG= -0.292924 logG= -0.057356 TDE= -0.341275 Density= 0.214167 ETOT(band)= -0.233986 trlgG= -0.294234 logG= -0.029225 TDE= -0.170971 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047890 logG= -0.058222 Density= 0.213800 ETOT(band)= -0.234070 trlgG= -0.294400 logG= -0.058222 TDE= -0.341977 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010905 tlogG= -0.047740 logG= -0.058645 Density= 0.214580 ETOT(band)= -0.233962 trlgG= -0.294544 logG= -0.058645 TDE= -0.342083 logGD-logG0= -0.005265 tlogG= -0.021814 logG= -0.027079 logGD-logG0= -0.010050 tlogG= -0.047149 logG= -0.057199 logGD-logG0= -0.010707 tlogG= -0.047975 logG= -0.058682 Density= 0.107700 ETOT(band)= -0.115480 trlgG= -0.143724 logG= -0.027079 TDE= -0.169940 Density= 0.214893 ETOT(band)= -0.233872 trlgG= -0.294640 logG= -0.058682 TDE= -0.342298 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213603 ETOT(band)= -0.233622 trlgG= -0.293131 logG= -0.057199 TDE= -0.341633 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.022436 logG= -0.027747 logGD-logG0= -0.010454 tlogG= -0.048021 logG= -0.058475 Density= 0.216185 ETOT(band)= -0.231186 trlgG= -0.288933 logG= -0.027747 TDE= -0.170475 logGD-logG0= -0.010770 tlogG= -0.047780 logG= -0.058550 Density= 0.214480 ETOT(band)= -0.233955 trlgG= -0.294374 logG= -0.058550 TDE= -0.341960 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214357 ETOT(band)= -0.233983 trlgG= -0.294466 logG= -0.058475 TDE= -0.342066 logGD-logG0= -0.009822 tlogG= -0.047438 logG= -0.057261 Density= 0.214142 ETOT(band)= -0.233456 trlgG= -0.293266 logG= -0.057261 TDE= -0.341973 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023971 logG= -0.028740 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212653 ETOT(band)= -0.234150 trlgG= -0.293808 logG= -0.028740 TDE= -0.170741 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010860 tlogG= -0.048075 logG= -0.058935 Density= 0.214890 ETOT(band)= -0.234018 trlgG= -0.295057 logG= -0.058935 TDE= -0.342460 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.047656 logG= -0.058222 logGD-logG0= -0.004935 tlogG= -0.024002 logG= -0.028936 Density= 0.213781 ETOT(band)= -0.234057 trlgG= -0.294152 logG= -0.058222 TDE= -0.341719 Density= 0.213951 ETOT(band)= -0.233974 trlgG= -0.294453 logG= -0.028936 TDE= -0.171137 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011006 tlogG= -0.047513 logG= -0.058520 Density= 0.215514 ETOT(band)= -0.233469 trlgG= -0.294433 logG= -0.058520 TDE= -0.342561 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005030 tlogG= -0.023831 logG= -0.028861 logGD-logG0= -0.004977 tlogG= -0.023239 logG= -0.028216 Density= 0.213339 ETOT(band)= -0.233497 trlgG= -0.292539 logG= -0.028216 TDE= -0.170651 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213409 ETOT(band)= -0.234033 trlgG= -0.294060 logG= -0.028861 TDE= -0.170955 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010789 tlogG= -0.047309 logG= -0.058098 Density= 0.214090 ETOT(band)= -0.233852 trlgG= -0.293627 logG= -0.058098 TDE= -0.341472 logGD-logG0= -0.010940 tlogG= -0.048010 logG= -0.058951 logGD-logG0= -0.010933 tlogG= -0.047926 logG= -0.058858 Density= 0.214926 ETOT(band)= -0.234009 trlgG= -0.295084 logG= -0.058951 TDE= -0.342490 Density= 0.215707 ETOT(band)= -0.233587 trlgG= -0.294997 logG= -0.058858 TDE= -0.342882 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011053 tlogG= -0.048142 logG= -0.059195 Density= 0.215239 ETOT(band)= -0.234037 trlgG= -0.295524 logG= -0.059195 TDE= -0.342840 logGD-logG0= -0.010563 tlogG= -0.046408 logG= -0.056971 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002561 tlogG= -0.010839 logG= -0.013400 Density= 0.054017 ETOT(band)= -0.057564 trlgG= -0.071621 logG= -0.013400 TDE= -0.084951 logGD-logG0= -0.010988 tlogG= -0.047874 logG= -0.058862 Density= 0.215038 ETOT(band)= -0.232836 trlgG= -0.291944 logG= -0.056971 TDE= -0.341385 Density= 0.215580 ETOT(band)= -0.233658 trlgG= -0.294998 logG= -0.058862 TDE= -0.342816 logGD-logG0= -0.010177 tlogG= -0.047216 logG= -0.057393 Density= 0.214306 ETOT(band)= -0.233419 trlgG= -0.293042 logG= -0.057393 TDE= -0.341698 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010959 tlogG= -0.047420 logG= -0.058379 Density= 0.215284 ETOT(band)= -0.233507 trlgG= -0.294191 logG= -0.058379 TDE= -0.342346 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011001 tlogG= -0.046877 logG= -0.057878 Density= 0.215247 ETOT(band)= -0.233230 trlgG= -0.293390 logG= -0.057878 TDE= -0.342027 logGD-logG0= -0.005107 tlogG= -0.023883 logG= -0.028990 Density= 0.213622 ETOT(band)= -0.233896 trlgG= -0.293322 logG= -0.028990 TDE= -0.170699 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.047147 logG= -0.057623 Density= 0.214972 ETOT(band)= -0.233238 trlgG= -0.292962 logG= -0.057623 TDE= -0.341718 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.021560 logG= -0.026660 logGD-logG0= -0.005186 tlogG= -0.021871 logG= -0.027057 Density= 0.108229 ETOT(band)= -0.115194 trlgG= -0.143667 logG= -0.027057 TDE= -0.170167 Density= 0.108418 ETOT(band)= -0.114829 trlgG= -0.142988 logG= -0.026660 TDE= -0.169979 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010405 tlogG= -0.043383 logG= -0.053788 logGD-logG0= -0.005206 tlogG= -0.021691 logG= -0.026897 Density= 0.107842 ETOT(band)= -0.115288 trlgG= -0.143415 logG= -0.026897 TDE= -0.169884 Density= 0.216093 ETOT(band)= -0.230368 trlgG= -0.286810 logG= -0.053788 TDE= -0.339955 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001322 tlogG= -0.005854 logG= -0.007176 Density= 0.080581 ETOT(band)= -0.087573 trlgG= -0.110289 logG= -0.007176 TDE= -0.042789 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005982 logG= -0.007307 Density= 0.080989 ETOT(band)= -0.087514 trlgG= -0.110541 logG= -0.007307 TDE= -0.042873 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001497 tlogG= -0.007964 logG= -0.009461 Density= 0.070817 ETOT(band)= -0.077908 trlgG= -0.097557 logG= -0.009461 TDE= -0.056931 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004493 tlogG= -0.024128 logG= -0.028621 Density= 0.212024 ETOT(band)= -0.234247 trlgG= -0.293999 logG= -0.028621 TDE= -0.170886 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.024152 logG= -0.029366 Density= 0.214564 ETOT(band)= -0.234061 trlgG= -0.294853 logG= -0.029366 TDE= -0.171144 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005613 tlogG= -0.023676 logG= -0.029289 Density= 0.215224 ETOT(band)= -0.233511 trlgG= -0.294180 logG= -0.029289 TDE= -0.171160 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001636 tlogG= -0.007587 logG= -0.009223 logGD-logG0= -0.005100 tlogG= -0.021297 logG= -0.026397 Density= 0.071442 ETOT(band)= -0.077310 trlgG= -0.096261 logG= -0.009223 TDE= -0.056707 Density= 0.162504 ETOT(band)= -0.172915 trlgG= -0.216167 logG= -0.026397 TDE= -0.169791 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009829 tlogG= -0.046709 logG= -0.056538 Density= 0.427567 ETOT(band)= -0.465900 trlgG= -0.582478 logG= -0.056538 TDE= -0.341033 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047650 logG= -0.057679 Density= 0.426349 ETOT(band)= -0.468135 trlgG= -0.587613 logG= -0.057679 TDE= -0.341610 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010318 tlogG= -0.046392 logG= -0.056710 Density= 0.429188 ETOT(band)= -0.465341 trlgG= -0.582168 logG= -0.056710 TDE= -0.341147 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023888 logG= -0.028682 Density= 0.213123 ETOT(band)= -0.233743 trlgG= -0.292815 logG= -0.028682 TDE= -0.170693 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005306 logG= -0.006559 Density= 0.081485 ETOT(band)= -0.085652 trlgG= -0.106337 logG= -0.006559 TDE= -0.042439 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001758 tlogG= -0.007115 logG= -0.008873 Density= 0.072167 ETOT(band)= -0.076447 trlgG= -0.094952 logG= -0.008873 TDE= -0.056593 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001327 tlogG= -0.005937 logG= -0.007264 Density= 0.080762 ETOT(band)= -0.087610 trlgG= -0.110486 logG= -0.007264 TDE= -0.042843 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001286 tlogG= -0.005618 logG= -0.006904 Density= 0.080771 ETOT(band)= -0.086929 trlgG= -0.108730 logG= -0.006904 TDE= -0.042647 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.021346 logG= -0.026530 Density= 0.216829 ETOT(band)= -0.229082 trlgG= -0.284615 logG= -0.026530 TDE= -0.169804 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.022471 logG= -0.027578 logGD-logG0= -0.005457 tlogG= -0.023792 logG= -0.029248 Density= 0.215151 ETOT(band)= -0.233661 trlgG= -0.294500 logG= -0.029248 TDE= -0.171330 Density= 0.214852 ETOT(band)= -0.231555 trlgG= -0.288366 logG= -0.027578 TDE= -0.170088 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023481 logG= -0.028925 Density= 0.215035 ETOT(band)= -0.233224 trlgG= -0.293234 logG= -0.028925 TDE= -0.171074 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005423 tlogG= -0.023993 logG= -0.029417 Density= 0.215499 ETOT(band)= -0.233758 trlgG= -0.295152 logG= -0.029417 TDE= -0.171483 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.024001 logG= -0.028968 Density= 0.321307 ETOT(band)= -0.350944 trlgG= -0.441828 logG= -0.028968 TDE= -0.171133 logGD-logG0= -0.005387 tlogG= -0.023992 logG= -0.029379 Density= 0.216161 ETOT(band)= -0.233244 trlgG= -0.294681 logG= -0.029379 TDE= -0.171501 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005518 tlogG= -0.024113 logG= -0.029631 logGD-logG0= -0.005268 tlogG= -0.023842 logG= -0.029111 Density= 0.215531 ETOT(band)= -0.233914 trlgG= -0.295567 logG= -0.029631 TDE= -0.171514 Density= 0.215311 ETOT(band)= -0.233658 trlgG= -0.294600 logG= -0.029111 TDE= -0.171017 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010802 tlogG= -0.047771 logG= -0.058574 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324063 ETOT(band)= -0.349770 trlgG= -0.441518 logG= -0.058574 TDE= -0.342841 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023583 logG= -0.028263 Density= 0.212468 ETOT(band)= -0.233869 trlgG= -0.293053 logG= -0.028263 TDE= -0.170603 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001235 tlogG= -0.005170 logG= -0.006405 Density= 0.062492 ETOT(band)= -0.067511 trlgG= -0.084302 logG= -0.006405 TDE= -0.042337 logGD-logG0= -0.005405 tlogG= -0.023408 logG= -0.028813 Density= 0.216009 ETOT(band)= -0.232560 trlgG= -0.292535 logG= -0.028813 TDE= -0.171094 logGD-logG0= -0.010558 tlogG= -0.045626 logG= -0.056185 Density= 0.323770 ETOT(band)= -0.347795 trlgG= -0.435459 logG= -0.056185 TDE= -0.341271 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.022962 logG= -0.028338 Density= 0.216039 ETOT(band)= -0.231985 trlgG= -0.290918 logG= -0.028338 TDE= -0.170808 logGD-logG0= -0.005379 tlogG= -0.023949 logG= -0.029329 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023737 logG= -0.028362 Density= 0.212932 ETOT(band)= -0.233465 trlgG= -0.292079 logG= -0.028362 TDE= -0.170688 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216195 ETOT(band)= -0.233140 trlgG= -0.294448 logG= -0.029329 TDE= -0.171474 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010847 tlogG= -0.047221 logG= -0.058068 logGD-logG0= -0.004877 tlogG= -0.023363 logG= -0.028240 Density= 0.321381 ETOT(band)= -0.349893 trlgG= -0.439247 logG= -0.028240 TDE= -0.170808 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323849 ETOT(band)= -0.349400 trlgG= -0.440168 logG= -0.058068 TDE= -0.342450 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011082 tlogG= -0.048031 logG= -0.059113 Density= 0.322970 ETOT(band)= -0.350835 trlgG= -0.442854 logG= -0.059113 TDE= -0.342831 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.024082 logG= -0.029524 logGD-logG0= -0.005221 tlogG= -0.023242 logG= -0.028464 Density= 0.322786 ETOT(band)= -0.351042 trlgG= -0.443156 logG= -0.029524 TDE= -0.171327 Density= 0.321444 ETOT(band)= -0.350403 trlgG= -0.440099 logG= -0.028464 TDE= -0.170761 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024158 logG= -0.029397 Density= 0.322171 ETOT(band)= -0.351065 trlgG= -0.442505 logG= -0.029397 TDE= -0.171139 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023755 logG= -0.029154 Density= 0.216087 ETOT(band)= -0.232941 trlgG= -0.293743 logG= -0.029154 TDE= -0.171333 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022904 logG= -0.028061 logGD-logG0= -0.001646 tlogG= -0.006873 logG= -0.008519 Density= 0.040811 ETOT(band)= -0.042656 trlgG= -0.052861 logG= -0.008519 TDE= -0.056433 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010842 tlogG= -0.046402 logG= -0.057244 Density= 0.214627 ETOT(band)= -0.232291 trlgG= -0.290010 logG= -0.028061 TDE= -0.170340 Density= 0.323718 ETOT(band)= -0.348741 trlgG= -0.438080 logG= -0.057244 TDE= -0.341893 logGD-logG0= -0.005565 tlogG= -0.023890 logG= -0.029455 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215459 ETOT(band)= -0.233660 trlgG= -0.294879 logG= -0.029455 TDE= -0.171338 logGD-logG0= -0.004846 tlogG= -0.023366 logG= -0.028211 Density= 0.214017 ETOT(band)= -0.233260 trlgG= -0.292657 logG= -0.028211 TDE= -0.170816 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010069 tlogG= -0.046598 logG= -0.056667 Density= 0.322443 ETOT(band)= -0.348854 trlgG= -0.436893 logG= -0.056667 TDE= -0.341428 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.023195 logG= -0.028554 Density= 0.214694 ETOT(band)= -0.232847 trlgG= -0.291540 logG= -0.028554 TDE= -0.170523 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009342 tlogG= -0.048091 logG= -0.057432 Density= 0.425226 ETOT(band)= -0.468097 trlgG= -0.587098 logG= -0.057432 TDE= -0.341597 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005626 tlogG= -0.023354 logG= -0.028980 Density= 0.214928 ETOT(band)= -0.233250 trlgG= -0.293037 logG= -0.028980 TDE= -0.170867 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.047949 logG= -0.058651 logGD-logG0= -0.005550 tlogG= -0.023949 logG= -0.029499 Density= 0.428852 ETOT(band)= -0.468016 trlgG= -0.588904 logG= -0.058651 TDE= -0.341961 Density= 0.323379 ETOT(band)= -0.350511 trlgG= -0.442601 logG= -0.029499 TDE= -0.171386 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.047829 logG= -0.057860 Density= 0.427700 ETOT(band)= -0.467932 trlgG= -0.588491 logG= -0.057860 TDE= -0.342080 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010534 tlogG= -0.048140 logG= -0.058674 Density= 0.428948 ETOT(band)= -0.468055 trlgG= -0.589265 logG= -0.058674 TDE= -0.342128 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010205 tlogG= -0.047845 logG= -0.058051 Density= 0.428786 ETOT(band)= -0.467717 trlgG= -0.588476 logG= -0.058051 TDE= -0.342069 logGD-logG0= -0.010875 tlogG= -0.048066 logG= -0.058940 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009984 tlogG= -0.047769 logG= -0.057752 Density= 0.429782 ETOT(band)= -0.467895 trlgG= -0.589702 logG= -0.058940 TDE= -0.342459 logGD-logG0= -0.010641 tlogG= -0.047663 logG= -0.058303 Density= 0.426849 ETOT(band)= -0.467688 trlgG= -0.586469 logG= -0.057752 TDE= -0.341312 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427950 ETOT(band)= -0.467919 trlgG= -0.587823 logG= -0.058303 TDE= -0.341721 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011156 tlogG= -0.047676 logG= -0.058833 Density= 0.430721 ETOT(band)= -0.467269 trlgG= -0.589355 logG= -0.058833 TDE= -0.342584 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009890 tlogG= -0.046598 logG= -0.056488 Density= 0.427766 ETOT(band)= -0.466625 trlgG= -0.585091 logG= -0.056488 TDE= -0.341450 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011041 tlogG= -0.047725 logG= -0.058767 Density= 0.430384 ETOT(band)= -0.467323 trlgG= -0.588993 logG= -0.058767 TDE= -0.342477 logGD-logG0= -0.010386 tlogG= -0.047550 logG= -0.057936 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428266 ETOT(band)= -0.467263 trlgG= -0.586866 logG= -0.057936 TDE= -0.341767 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010666 tlogG= -0.048215 logG= -0.058880 Density= 0.429676 ETOT(band)= -0.468065 trlgG= -0.590029 logG= -0.058880 TDE= -0.342334 logGD-logG0= -0.011081 tlogG= -0.048001 logG= -0.059083 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430959 ETOT(band)= -0.467553 trlgG= -0.590350 logG= -0.059083 TDE= -0.342849 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.046924 logG= -0.057626 Density= 0.429528 ETOT(band)= -0.466263 trlgG= -0.584860 logG= -0.057626 TDE= -0.341429 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011100 tlogG= -0.047264 logG= -0.058364 Density= 0.430118 ETOT(band)= -0.466896 trlgG= -0.587519 logG= -0.058364 TDE= -0.342093 logGD-logG0= -0.010627 tlogG= -0.047564 logG= -0.058191 Density= 0.429653 ETOT(band)= -0.466912 trlgG= -0.586791 logG= -0.058191 TDE= -0.341873 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.022324 logG= -0.027351 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322611 ETOT(band)= -0.347822 trlgG= -0.434500 logG= -0.027351 TDE= -0.170157 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005467 logG= -0.006740 Density= 0.081130 ETOT(band)= -0.086318 trlgG= -0.107494 logG= -0.006740 TDE= -0.042550 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010350 tlogG= -0.044617 logG= -0.054967 Density= 0.324012 ETOT(band)= -0.346525 trlgG= -0.432449 logG= -0.054967 TDE= -0.340595 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022288 logG= -0.027429 Density= 0.214096 ETOT(band)= -0.232327 trlgG= -0.289760 logG= -0.027429 TDE= -0.170075 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004987 tlogG= -0.022323 logG= -0.027310 Density= 0.214856 ETOT(band)= -0.231844 trlgG= -0.289412 logG= -0.027310 TDE= -0.170162 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005273 tlogG= -0.021875 logG= -0.027148 Density= 0.216439 ETOT(band)= -0.230188 trlgG= -0.286817 logG= -0.027148 TDE= -0.170135 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005142 tlogG= -0.021202 logG= -0.026343 Density= 0.216162 ETOT(band)= -0.229939 trlgG= -0.285867 logG= -0.026343 TDE= -0.169711 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010201 tlogG= -0.044617 logG= -0.054818 Density= 0.431249 ETOT(band)= -0.461876 trlgG= -0.575391 logG= -0.054818 TDE= -0.340233 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.672566227426 eV TrLogG= -407.600287255469 eV Ratio to renormalize= 1.000850769408 rho-rho_expected=-0.018701016718 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964487557235926 0.940085850088264 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001551 tlogG= -0.007812 logG= -0.009363 Density= 0.035468 ETOT(band)= -0.038907 trlgG= -0.048663 logG= -0.009363 TDE= -0.056851 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023207 logG= -0.028024 Density= 0.106660 ETOT(band)= -0.116571 trlgG= -0.145636 logG= -0.028024 TDE= -0.170392 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.022991 logG= -0.027895 Density= 0.106795 ETOT(band)= -0.116440 trlgG= -0.145372 logG= -0.027895 TDE= -0.170325 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023503 logG= -0.028432 Density= 0.106696 ETOT(band)= -0.116763 trlgG= -0.146123 logG= -0.028432 TDE= -0.170489 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.006992 logG= -0.008681 logGD-logG0= -0.001755 tlogG= -0.007305 logG= -0.009060 Density= 0.036165 ETOT(band)= -0.038114 trlgG= -0.047308 logG= -0.008681 TDE= -0.056523 Density= 0.035816 ETOT(band)= -0.038560 trlgG= -0.047966 logG= -0.009060 TDE= -0.056630 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005016 tlogG= -0.020991 logG= -0.026007 Density= 0.108616 ETOT(band)= -0.114252 trlgG= -0.141847 logG= -0.026007 TDE= -0.169589 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005264 tlogG= -0.021819 logG= -0.027083 Density= 0.107703 ETOT(band)= -0.115491 trlgG= -0.143740 logG= -0.027083 TDE= -0.169954 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002424 tlogG= -0.011884 logG= -0.014308 Density= 0.053521 ETOT(band)= -0.058377 trlgG= -0.073351 logG= -0.014308 TDE= -0.085527 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002520 tlogG= -0.012082 logG= -0.014602 Density= 0.053543 ETOT(band)= -0.058522 trlgG= -0.073714 logG= -0.014602 TDE= -0.085607 logGD-logG0= -0.000204 tlogG= -0.000853 logG= -0.001056 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004539 ETOT(band)= -0.004731 trlgG= -0.005860 logG= -0.001056 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002702 tlogG= -0.012033 logG= -0.014734 Density= 0.053719 ETOT(band)= -0.058512 trlgG= -0.073770 logG= -0.014734 TDE= -0.085619 logGD-logG0= -0.004741 tlogG= -0.024048 logG= -0.028789 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106313 ETOT(band)= -0.117101 trlgG= -0.146967 logG= -0.028789 TDE= -0.170787 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023647 logG= -0.028840 Density= 0.106897 ETOT(band)= -0.116883 trlgG= -0.146464 logG= -0.028840 TDE= -0.170522 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001471 tlogG= -0.008045 logG= -0.009515 Density= 0.035290 ETOT(band)= -0.039058 trlgG= -0.049027 logG= -0.009515 TDE= -0.056975 logGD-logG0= -0.005306 tlogG= -0.022878 logG= -0.028184 Density= 0.107531 ETOT(band)= -0.116253 trlgG= -0.145510 logG= -0.028184 TDE= -0.170538 logGD-logG0= -0.005080 tlogG= -0.024069 logG= -0.029150 logGD-logG0= -0.004907 tlogG= -0.023687 logG= -0.028594 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106974 ETOT(band)= -0.117048 trlgG= -0.147335 logG= -0.029150 TDE= -0.171121 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106896 ETOT(band)= -0.116793 trlgG= -0.146656 logG= -0.028594 TDE= -0.170960 logGD-logG0= -0.005098 tlogG= -0.023897 logG= -0.028996 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106678 ETOT(band)= -0.117065 trlgG= -0.147078 logG= -0.028996 TDE= -0.170872 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002431 tlogG= -0.011448 logG= -0.013879 Density= 0.053695 ETOT(band)= -0.058047 trlgG= -0.072586 logG= -0.013879 TDE= -0.085278 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005498 tlogG= -0.023199 logG= -0.028697 Density= 0.107596 ETOT(band)= -0.116502 trlgG= -0.146321 logG= -0.028697 TDE= -0.170868 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.024052 logG= -0.028570 Density= 0.106045 ETOT(band)= -0.117110 trlgG= -0.146955 logG= -0.028570 TDE= -0.170861 logGD-logG0= -0.002659 tlogG= -0.011983 logG= -0.014642 logGD-logG0= -0.005338 tlogG= -0.023949 logG= -0.029287 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054090 ETOT(band)= -0.058276 trlgG= -0.073636 logG= -0.014642 TDE= -0.085760 Density= 0.108135 ETOT(band)= -0.116577 trlgG= -0.147276 logG= -0.029287 TDE= -0.171500 logGD-logG0= -0.005345 tlogG= -0.023430 logG= -0.028775 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108039 ETOT(band)= -0.116339 trlgG= -0.146461 logG= -0.028775 TDE= -0.171149 logGD-logG0= -0.005028 tlogG= -0.023689 logG= -0.028717 logGD-logG0= -0.004545 tlogG= -0.023975 logG= -0.028520 Density= 0.106097 ETOT(band)= -0.117067 trlgG= -0.146841 logG= -0.028520 TDE= -0.170823 logGD-logG0= -0.005302 tlogG= -0.022982 logG= -0.028285 Density= 0.108044 ETOT(band)= -0.116068 trlgG= -0.145686 logG= -0.028285 TDE= -0.170867 logGD-logG0= -0.005233 tlogG= -0.022458 logG= -0.027691 logGD-logG0= -0.005477 tlogG= -0.024073 logG= -0.029551 Density= 0.107294 ETOT(band)= -0.116677 trlgG= -0.146569 logG= -0.028717 TDE= -0.170946 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107554 ETOT(band)= -0.117026 trlgG= -0.147687 logG= -0.029551 TDE= -0.171360 Density= 0.108113 ETOT(band)= -0.115695 trlgG= -0.144738 logG= -0.027691 TDE= -0.170548 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.022851 logG= -0.027911 Density= 0.107662 ETOT(band)= -0.116048 trlgG= -0.145101 logG= -0.027911 TDE= -0.170466 logGD-logG0= -0.005351 tlogG= -0.023763 logG= -0.029113 Density= 0.108085 ETOT(band)= -0.116502 trlgG= -0.146997 logG= -0.029113 TDE= -0.171370 logGD-logG0= -0.005149 tlogG= -0.022171 logG= -0.027320 Density= 0.108268 ETOT(band)= -0.115389 trlgG= -0.144131 logG= -0.027320 TDE= -0.170388 logGD-logG0= -0.002728 tlogG= -0.011987 logG= -0.014715 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005524 tlogG= -0.024131 logG= -0.029655 Density= 0.053937 ETOT(band)= -0.058397 trlgG= -0.073756 logG= -0.014715 TDE= -0.085731 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107721 ETOT(band)= -0.117023 trlgG= -0.147878 logG= -0.029655 TDE= -0.171528 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.023216 logG= -0.028511 logGD-logG0= -0.005192 tlogG= -0.024094 logG= -0.029286 Density= 0.108102 ETOT(band)= -0.116162 trlgG= -0.146042 logG= -0.028511 TDE= -0.171026 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005428 tlogG= -0.023968 logG= -0.029396 Density= 0.107358 ETOT(band)= -0.117011 trlgG= -0.147412 logG= -0.029396 TDE= -0.171142 Density= 0.107294 ETOT(band)= -0.116989 trlgG= -0.147312 logG= -0.029286 TDE= -0.171120 logGD-logG0= -0.005485 tlogG= -0.023685 logG= -0.029170 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023605 logG= -0.028931 Density= 0.107147 ETOT(band)= -0.116957 trlgG= -0.147016 logG= -0.029170 TDE= -0.170867 logGD-logG0= -0.005325 tlogG= -0.023870 logG= -0.029195 Density= 0.108155 ETOT(band)= -0.116513 trlgG= -0.147127 logG= -0.029195 TDE= -0.171453 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108111 ETOT(band)= -0.116386 trlgG= -0.146706 logG= -0.028931 TDE= -0.171273 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023671 logG= -0.028546 Density= 0.106521 ETOT(band)= -0.116908 trlgG= -0.146548 logG= -0.028546 TDE= -0.170714 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005509 tlogG= -0.023905 logG= -0.029414 Density= 0.107662 ETOT(band)= -0.116893 trlgG= -0.147473 logG= -0.029414 TDE= -0.171336 logGD-logG0= -0.005208 tlogG= -0.022410 logG= -0.027617 logGD-logG0= -0.005229 tlogG= -0.022734 logG= -0.027963 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108157 ETOT(band)= -0.115832 trlgG= -0.145175 logG= -0.027963 TDE= -0.170734 Density= 0.107550 ETOT(band)= -0.115918 trlgG= -0.144614 logG= -0.027617 TDE= -0.170217 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005476 tlogG= -0.023868 logG= -0.029344 Density= 0.107825 ETOT(band)= -0.116762 trlgG= -0.147368 logG= -0.029344 TDE= -0.171380 logGD-logG0= -0.004937 tlogG= -0.022852 logG= -0.027790 Density= 0.107216 ETOT(band)= -0.116190 trlgG= -0.145223 logG= -0.027790 TDE= -0.170489 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005491 tlogG= -0.024085 logG= -0.029576 Density= 0.107797 ETOT(band)= -0.116935 trlgG= -0.147753 logG= -0.029576 TDE= -0.171520 logGD-logG0= -0.010183 tlogG= -0.048245 logG= -0.058428 Density= 0.214235 ETOT(band)= -0.234056 trlgG= -0.294747 logG= -0.058428 TDE= -0.342334 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005465 tlogG= -0.024056 logG= -0.029522 Density= 0.107856 ETOT(band)= -0.116868 trlgG= -0.147664 logG= -0.029522 TDE= -0.171515 logGD-logG0= -0.002499 tlogG= -0.010427 logG= -0.012926 logGD-logG0= -0.005513 tlogG= -0.023578 logG= -0.029091 logGD-logG0= -0.009864 tlogG= -0.045762 logG= -0.055626 logGD-logG0= -0.010329 tlogG= -0.047901 logG= -0.058230 Density= 0.213807 ETOT(band)= -0.234092 trlgG= -0.294432 logG= -0.058230 TDE= -0.342004 Density= 0.107711 ETOT(band)= -0.116665 trlgG= -0.146952 logG= -0.029091 TDE= -0.171161 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214852 ETOT(band)= -0.232216 trlgG= -0.290352 logG= -0.055626 TDE= -0.341045 logGD-logG0= -0.010047 tlogG= -0.047160 logG= -0.057207 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054331 ETOT(band)= -0.057053 trlgG= -0.070784 logG= -0.012926 TDE= -0.084743 Density= 0.213609 ETOT(band)= -0.233644 trlgG= -0.293164 logG= -0.057207 TDE= -0.341661 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009500 tlogG= -0.047636 logG= -0.057136 Density= 0.212776 ETOT(band)= -0.233938 trlgG= -0.293235 logG= -0.057136 TDE= -0.341391 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.047163 logG= -0.057363 Density= 0.213619 ETOT(band)= -0.233689 trlgG= -0.292957 logG= -0.057363 TDE= -0.341303 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.047985 logG= -0.058690 logGD-logG0= -0.010144 tlogG= -0.045592 logG= -0.055735 Density= 0.214203 ETOT(band)= -0.232562 trlgG= -0.290525 logG= -0.055735 TDE= -0.340788 Density= 0.214900 ETOT(band)= -0.233894 trlgG= -0.294673 logG= -0.058690 TDE= -0.342327 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010858 tlogG= -0.048085 logG= -0.058943 logGD-logG0= -0.010767 tlogG= -0.047790 logG= -0.058557 logGD-logG0= -0.010903 tlogG= -0.047750 logG= -0.058653 Density= 0.214587 ETOT(band)= -0.233984 trlgG= -0.294577 logG= -0.058653 TDE= -0.342112 Density= 0.214487 ETOT(band)= -0.233977 trlgG= -0.294407 logG= -0.058557 TDE= -0.341989 Density= 0.214897 ETOT(band)= -0.234039 trlgG= -0.295090 logG= -0.058943 TDE= -0.342489 logGD-logG0= -0.009929 tlogG= -0.047938 logG= -0.057867 Density= 0.213117 ETOT(band)= -0.234151 trlgG= -0.293878 logG= -0.057867 TDE= -0.341472 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010938 tlogG= -0.048020 logG= -0.058958 Density= 0.214934 ETOT(band)= -0.234031 trlgG= -0.295117 logG= -0.058958 TDE= -0.342519 logGD-logG0= -0.009820 tlogG= -0.047449 logG= -0.057268 Density= 0.214148 ETOT(band)= -0.233478 trlgG= -0.293298 logG= -0.057268 TDE= -0.342001 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010565 tlogG= -0.047666 logG= -0.058230 Density= 0.213787 ETOT(band)= -0.234079 trlgG= -0.294185 logG= -0.058230 TDE= -0.341747 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011002 tlogG= -0.047525 logG= -0.058527 Density= 0.215521 ETOT(band)= -0.233490 trlgG= -0.294465 logG= -0.058527 TDE= -0.342589 logGD-logG0= -0.010928 tlogG= -0.047938 logG= -0.058866 logGD-logG0= -0.010788 tlogG= -0.047317 logG= -0.058106 Density= 0.214097 ETOT(band)= -0.233874 trlgG= -0.293660 logG= -0.058106 TDE= -0.341500 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010247 tlogG= -0.045653 logG= -0.055900 Density= 0.215715 ETOT(band)= -0.233608 trlgG= -0.295029 logG= -0.058866 TDE= -0.342910 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214982 ETOT(band)= -0.232293 trlgG= -0.290345 logG= -0.055900 TDE= -0.340829 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010957 tlogG= -0.047429 logG= -0.058386 logGD-logG0= -0.011050 tlogG= -0.048152 logG= -0.059202 logGD-logG0= -0.010451 tlogG= -0.048031 logG= -0.058483 Density= 0.214364 ETOT(band)= -0.234005 trlgG= -0.294498 logG= -0.058483 TDE= -0.342093 Density= 0.215292 ETOT(band)= -0.233529 trlgG= -0.294224 logG= -0.058386 TDE= -0.342374 Density= 0.215247 ETOT(band)= -0.234058 trlgG= -0.295557 logG= -0.059202 TDE= -0.342869 logGD-logG0= -0.010560 tlogG= -0.046418 logG= -0.056978 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215045 ETOT(band)= -0.232858 trlgG= -0.291977 logG= -0.056978 TDE= -0.341414 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010983 tlogG= -0.047886 logG= -0.058869 Density= 0.215588 ETOT(band)= -0.233679 trlgG= -0.295031 logG= -0.058869 TDE= -0.342845 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.010842 logG= -0.013402 logGD-logG0= -0.010999 tlogG= -0.046886 logG= -0.057885 logGD-logG0= -0.010174 tlogG= -0.047227 logG= -0.057401 Density= 0.215255 ETOT(band)= -0.233251 trlgG= -0.293422 logG= -0.057885 TDE= -0.342056 Density= 0.214312 ETOT(band)= -0.233441 trlgG= -0.293073 logG= -0.057401 TDE= -0.341725 Density= 0.054019 ETOT(band)= -0.057569 trlgG= -0.071629 logG= -0.013402 TDE= -0.084958 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010473 tlogG= -0.047157 logG= -0.057631 Density= 0.214979 ETOT(band)= -0.233259 trlgG= -0.292994 logG= -0.057631 TDE= -0.341746 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001497 tlogG= -0.007966 logG= -0.009463 Density= 0.070819 ETOT(band)= -0.077916 trlgG= -0.097568 logG= -0.009463 TDE= -0.056936 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.021876 logG= -0.027060 Density= 0.108232 ETOT(band)= -0.115205 trlgG= -0.143682 logG= -0.027060 TDE= -0.170181 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005097 tlogG= -0.021566 logG= -0.026663 Density= 0.108421 ETOT(band)= -0.114839 trlgG= -0.143003 logG= -0.026663 TDE= -0.169992 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004625 tlogG= -0.023741 logG= -0.028366 Density= 0.212938 ETOT(band)= -0.233487 trlgG= -0.292112 logG= -0.028366 TDE= -0.170702 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023892 logG= -0.028686 Density= 0.213129 ETOT(band)= -0.233766 trlgG= -0.292847 logG= -0.028686 TDE= -0.170706 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.021696 logG= -0.026900 Density= 0.107845 ETOT(band)= -0.115299 trlgG= -0.143431 logG= -0.026900 TDE= -0.169898 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010402 tlogG= -0.043393 logG= -0.053795 Density= 0.216100 ETOT(band)= -0.230389 trlgG= -0.286841 logG= -0.053795 TDE= -0.339983 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001757 tlogG= -0.007117 logG= -0.008874 logGD-logG0= -0.005139 tlogG= -0.022293 logG= -0.027432 Density= 0.214102 ETOT(band)= -0.232350 trlgG= -0.289792 logG= -0.027432 TDE= -0.170089 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072170 ETOT(band)= -0.076454 trlgG= -0.094962 logG= -0.008874 TDE= -0.056597 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001636 tlogG= -0.007589 logG= -0.009224 Density= 0.071444 ETOT(band)= -0.077317 trlgG= -0.096272 logG= -0.009224 TDE= -0.056711 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.022475 logG= -0.027582 Density= 0.214858 ETOT(band)= -0.231577 trlgG= -0.288398 logG= -0.027582 TDE= -0.170102 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.021352 logG= -0.026533 Density= 0.216836 ETOT(band)= -0.229103 trlgG= -0.284645 logG= -0.026533 TDE= -0.169818 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001307 tlogG= -0.005748 logG= -0.007054 Density= 0.080573 ETOT(band)= -0.087365 trlgG= -0.109745 logG= -0.007054 TDE= -0.042727 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001326 tlogG= -0.005939 logG= -0.007265 logGD-logG0= -0.001321 tlogG= -0.005855 logG= -0.007177 Density= 0.080584 ETOT(band)= -0.087581 trlgG= -0.110301 logG= -0.007177 TDE= -0.042792 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080765 ETOT(band)= -0.087618 trlgG= -0.110498 logG= -0.007265 TDE= -0.042846 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023975 logG= -0.028744 Density= 0.212659 ETOT(band)= -0.234173 trlgG= -0.293840 logG= -0.028744 TDE= -0.170755 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.023887 logG= -0.028993 Density= 0.213628 ETOT(band)= -0.233918 trlgG= -0.293355 logG= -0.028993 TDE= -0.170713 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.024007 logG= -0.028940 Density= 0.213958 ETOT(band)= -0.233997 trlgG= -0.294486 logG= -0.028940 TDE= -0.171151 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023371 logG= -0.028215 Density= 0.214023 ETOT(band)= -0.233282 trlgG= -0.292689 logG= -0.028215 TDE= -0.170830 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.023199 logG= -0.028558 Density= 0.214701 ETOT(band)= -0.232869 trlgG= -0.291572 logG= -0.028558 TDE= -0.170538 logGD-logG0= -0.001285 tlogG= -0.005620 logG= -0.006905 Density= 0.080773 ETOT(band)= -0.086937 trlgG= -0.108742 logG= -0.006905 TDE= -0.042651 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.023999 logG= -0.029420 Density= 0.215507 ETOT(band)= -0.233779 trlgG= -0.295184 logG= -0.029420 TDE= -0.171497 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005454 tlogG= -0.023798 logG= -0.029252 Density= 0.215159 ETOT(band)= -0.233682 trlgG= -0.294531 logG= -0.029252 TDE= -0.171345 logGD-logG0= -0.005626 tlogG= -0.023358 logG= -0.028984 Density= 0.214936 ETOT(band)= -0.233271 trlgG= -0.293069 logG= -0.028984 TDE= -0.170881 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023486 logG= -0.028928 Density= 0.215043 ETOT(band)= -0.233245 trlgG= -0.293266 logG= -0.028928 TDE= -0.171088 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.023836 logG= -0.028865 Density= 0.213415 ETOT(band)= -0.234055 trlgG= -0.294093 logG= -0.028865 TDE= -0.170969 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005983 logG= -0.007308 Density= 0.080992 ETOT(band)= -0.087522 trlgG= -0.110552 logG= -0.007308 TDE= -0.042876 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.023998 logG= -0.029382 Density= 0.216170 ETOT(band)= -0.233265 trlgG= -0.294712 logG= -0.029382 TDE= -0.171515 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004492 tlogG= -0.024132 logG= -0.028625 Density= 0.212029 ETOT(band)= -0.234270 trlgG= -0.294032 logG= -0.028625 TDE= -0.170899 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.024006 logG= -0.028972 Density= 0.321317 ETOT(band)= -0.350977 trlgG= -0.441876 logG= -0.028972 TDE= -0.171147 logGD-logG0= -0.005267 tlogG= -0.023847 logG= -0.029114 Density= 0.215319 ETOT(band)= -0.233679 trlgG= -0.294632 logG= -0.029114 TDE= -0.171032 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023588 logG= -0.028267 logGD-logG0= -0.005272 tlogG= -0.023957 logG= -0.029229 logGD-logG0= -0.005212 tlogG= -0.024158 logG= -0.029369 Density= 0.214174 ETOT(band)= -0.234008 trlgG= -0.294267 logG= -0.029229 TDE= -0.170984 Density= 0.214571 ETOT(band)= -0.234083 trlgG= -0.294885 logG= -0.029369 TDE= -0.171158 logGD-logG0= -0.005403 tlogG= -0.023414 logG= -0.028817 Density= 0.216017 ETOT(band)= -0.232581 trlgG= -0.292566 logG= -0.028817 TDE= -0.171109 Density= 0.212473 ETOT(band)= -0.233892 trlgG= -0.293085 logG= -0.028267 TDE= -0.170617 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001645 tlogG= -0.006875 logG= -0.008520 Density= 0.040812 ETOT(band)= -0.042660 trlgG= -0.052867 logG= -0.008520 TDE= -0.056437 logGD-logG0= -0.005237 tlogG= -0.024163 logG= -0.029401 Density= 0.322182 ETOT(band)= -0.351097 trlgG= -0.442554 logG= -0.029401 TDE= -0.171153 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005377 tlogG= -0.023955 logG= -0.029332 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216203 ETOT(band)= -0.233161 trlgG= -0.294480 logG= -0.029332 TDE= -0.171488 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005172 logG= -0.006406 logGD-logG0= -0.005220 tlogG= -0.023247 logG= -0.028467 Density= 0.321454 ETOT(band)= -0.350436 trlgG= -0.440148 logG= -0.028467 TDE= -0.170775 logGD-logG0= -0.005309 tlogG= -0.022441 logG= -0.027750 Density= 0.062493 ETOT(band)= -0.067518 trlgG= -0.084311 logG= -0.006406 TDE= -0.042341 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216192 ETOT(band)= -0.231207 trlgG= -0.288964 logG= -0.027750 TDE= -0.170488 logGD-logG0= -0.004876 tlogG= -0.023368 logG= -0.028244 Density= 0.321391 ETOT(band)= -0.349926 trlgG= -0.439295 logG= -0.028244 TDE= -0.170822 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023761 logG= -0.029157 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216095 ETOT(band)= -0.232962 trlgG= -0.293774 logG= -0.029157 TDE= -0.171347 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010797 tlogG= -0.047783 logG= -0.058581 logGD-logG0= -0.010842 tlogG= -0.047233 logG= -0.058075 Density= 0.323861 ETOT(band)= -0.349432 trlgG= -0.440215 logG= -0.058075 TDE= -0.342478 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005563 tlogG= -0.023896 logG= -0.029458 Density= 0.215467 ETOT(band)= -0.233681 trlgG= -0.294912 logG= -0.029458 TDE= -0.171352 logGD-logG0= -0.004975 tlogG= -0.023244 logG= -0.028220 Density= 0.213345 ETOT(band)= -0.233520 trlgG= -0.292572 logG= -0.028220 TDE= -0.170665 logGD-logG0= -0.010556 tlogG= -0.045636 logG= -0.056192 Density= 0.324075 ETOT(band)= -0.349801 trlgG= -0.441565 logG= -0.058581 TDE= -0.342870 logGD-logG0= -0.005374 tlogG= -0.022968 logG= -0.028341 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216046 ETOT(band)= -0.232006 trlgG= -0.290950 logG= -0.028341 TDE= -0.170822 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.024087 logG= -0.029528 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323780 ETOT(band)= -0.347827 trlgG= -0.435507 logG= -0.056192 TDE= -0.341299 Density= 0.322797 ETOT(band)= -0.351074 trlgG= -0.443205 logG= -0.029528 TDE= -0.171342 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010066 tlogG= -0.046608 logG= -0.056674 logGD-logG0= -0.005515 tlogG= -0.024120 logG= -0.029635 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322453 ETOT(band)= -0.348887 trlgG= -0.436940 logG= -0.056674 TDE= -0.341455 Density= 0.215539 ETOT(band)= -0.233935 trlgG= -0.295600 logG= -0.029635 TDE= -0.171528 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011079 tlogG= -0.048042 logG= -0.059121 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322981 ETOT(band)= -0.350867 trlgG= -0.442903 logG= -0.059121 TDE= -0.342860 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010837 tlogG= -0.046414 logG= -0.057251 Density= 0.323729 ETOT(band)= -0.348773 trlgG= -0.438127 logG= -0.057251 TDE= -0.341922 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022908 logG= -0.028065 logGD-logG0= -0.010028 tlogG= -0.047840 logG= -0.057868 Density= 0.427713 ETOT(band)= -0.467977 trlgG= -0.588556 logG= -0.057868 TDE= -0.342108 Density= 0.214633 ETOT(band)= -0.232313 trlgG= -0.290042 logG= -0.028065 TDE= -0.170354 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005548 tlogG= -0.023955 logG= -0.029503 Density= 0.323391 ETOT(band)= -0.350542 trlgG= -0.442649 logG= -0.029503 TDE= -0.171401 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005610 tlogG= -0.023682 logG= -0.029292 Density= 0.215232 ETOT(band)= -0.233532 trlgG= -0.294212 logG= -0.029292 TDE= -0.171175 logGD-logG0= -0.009341 tlogG= -0.048100 logG= -0.057440 Density= 0.425237 ETOT(band)= -0.468143 trlgG= -0.587163 logG= -0.057440 TDE= -0.341624 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.047959 logG= -0.058658 logGD-logG0= -0.010639 tlogG= -0.047672 logG= -0.058311 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009828 tlogG= -0.046718 logG= -0.056546 Density= 0.427579 ETOT(band)= -0.465944 trlgG= -0.582543 logG= -0.056546 TDE= -0.341061 Density= 0.428866 ETOT(band)= -0.468060 trlgG= -0.588970 logG= -0.058658 TDE= -0.341990 Density= 0.427963 ETOT(band)= -0.467963 trlgG= -0.587888 logG= -0.058311 TDE= -0.341749 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010531 tlogG= -0.048150 logG= -0.058681 Density= 0.428962 ETOT(band)= -0.468099 trlgG= -0.589330 logG= -0.058681 TDE= -0.342156 logGD-logG0= -0.010873 tlogG= -0.048075 logG= -0.058948 Density= 0.429797 ETOT(band)= -0.467939 trlgG= -0.589768 logG= -0.058948 TDE= -0.342488 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010663 tlogG= -0.048225 logG= -0.058888 Density= 0.429691 ETOT(band)= -0.468108 trlgG= -0.590095 logG= -0.058888 TDE= -0.342363 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.046608 logG= -0.056496 Density= 0.427778 ETOT(band)= -0.466670 trlgG= -0.585156 logG= -0.056496 TDE= -0.341478 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011151 tlogG= -0.047689 logG= -0.058840 Density= 0.430737 ETOT(band)= -0.467311 trlgG= -0.589419 logG= -0.058840 TDE= -0.342613 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009983 tlogG= -0.047777 logG= -0.057760 logGD-logG0= -0.011039 tlogG= -0.047735 logG= -0.058774 logGD-logG0= -0.005098 tlogG= -0.021303 logG= -0.026401 Density= 0.162510 ETOT(band)= -0.172930 trlgG= -0.216190 logG= -0.026401 TDE= -0.169805 Density= 0.430399 ETOT(band)= -0.467365 trlgG= -0.589058 logG= -0.058774 TDE= -0.342506 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.426862 ETOT(band)= -0.467733 trlgG= -0.586534 logG= -0.057760 TDE= -0.341340 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047658 logG= -0.057687 Density= 0.426361 ETOT(band)= -0.468180 trlgG= -0.587679 logG= -0.057687 TDE= -0.341638 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010316 tlogG= -0.046402 logG= -0.056718 Density= 0.429201 ETOT(band)= -0.465385 trlgG= -0.582232 logG= -0.056718 TDE= -0.341175 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010203 tlogG= -0.047856 logG= -0.058058 Density= 0.428800 ETOT(band)= -0.467760 trlgG= -0.588539 logG= -0.058058 TDE= -0.342097 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011076 tlogG= -0.048014 logG= -0.059090 Density= 0.430974 ETOT(band)= -0.467595 trlgG= -0.590414 logG= -0.059090 TDE= -0.342878 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010384 tlogG= -0.047561 logG= -0.057944 Density= 0.428280 ETOT(band)= -0.467307 trlgG= -0.586930 logG= -0.057944 TDE= -0.341794 logGD-logG0= -0.010700 tlogG= -0.046934 logG= -0.057634 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429541 ETOT(band)= -0.466307 trlgG= -0.584925 logG= -0.057634 TDE= -0.341458 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005308 logG= -0.006560 Density= 0.081487 ETOT(band)= -0.085659 trlgG= -0.106348 logG= -0.006560 TDE= -0.042442 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011098 tlogG= -0.047273 logG= -0.058372 Density= 0.430133 ETOT(band)= -0.466939 trlgG= -0.587584 logG= -0.058372 TDE= -0.342122 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005468 logG= -0.006741 Density= 0.081133 ETOT(band)= -0.086326 trlgG= -0.107506 logG= -0.006741 TDE= -0.042553 logGD-logG0= -0.010625 tlogG= -0.047574 logG= -0.058199 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429667 ETOT(band)= -0.466956 trlgG= -0.586857 logG= -0.058199 TDE= -0.341902 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.022329 logG= -0.027354 Density= 0.322620 ETOT(band)= -0.347854 trlgG= -0.434547 logG= -0.027354 TDE= -0.170171 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004986 tlogG= -0.022328 logG= -0.027314 Density= 0.214863 ETOT(band)= -0.231866 trlgG= -0.289444 logG= -0.027314 TDE= -0.170176 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010348 tlogG= -0.044627 logG= -0.054975 Density= 0.324022 ETOT(band)= -0.346557 trlgG= -0.432496 logG= -0.054975 TDE= -0.340623 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.021881 logG= -0.027152 Density= 0.216446 ETOT(band)= -0.230210 trlgG= -0.286848 logG= -0.027152 TDE= -0.170149 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010198 tlogG= -0.044627 logG= -0.054825 Density= 0.431262 ETOT(band)= -0.461920 trlgG= -0.575453 logG= -0.054825 TDE= -0.340260 logGD-logG0= -0.005140 tlogG= -0.021207 logG= -0.026347 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216169 ETOT(band)= -0.229960 trlgG= -0.285898 logG= -0.026347 TDE= -0.169724 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.702885958405 eV TrLogG= -407.649838149393 eV Ratio to renormalize= 1.000818632027 rho-rho_expected=-0.017995173170 nargs= 1 argi=dmft2.def 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964471587113396 0.940059525205944 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005150 tlogG= -0.022168 logG= -0.027318 Density= 0.108266 ETOT(band)= -0.115385 trlgG= -0.144124 logG= -0.027318 TDE= -0.170382 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023646 logG= -0.028838 Density= 0.106896 ETOT(band)= -0.116878 trlgG= -0.146456 logG= -0.028838 TDE= -0.170516 logGD-logG0= -0.005296 tlogG= -0.023213 logG= -0.028509 Density= 0.108101 ETOT(band)= -0.116158 trlgG= -0.146035 logG= -0.028509 TDE= -0.171020 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023895 logG= -0.028994 Density= 0.106676 ETOT(band)= -0.117060 trlgG= -0.147071 logG= -0.028994 TDE= -0.170866 logGD-logG0= -0.004908 tlogG= -0.023684 logG= -0.028592 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106894 ETOT(band)= -0.116788 trlgG= -0.146649 logG= -0.028592 TDE= -0.170954 logGD-logG0= -0.005081 tlogG= -0.024067 logG= -0.029148 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106973 ETOT(band)= -0.117043 trlgG= -0.147328 logG= -0.029148 TDE= -0.171115 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.022850 logG= -0.027788 Density= 0.107214 ETOT(band)= -0.116185 trlgG= -0.145216 logG= -0.027788 TDE= -0.170484 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.010840 logG= -0.013401 Density= 0.054018 ETOT(band)= -0.057567 trlgG= -0.071625 logG= -0.013401 TDE= -0.084955 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001551 tlogG= -0.007811 logG= -0.009362 logGD-logG0= -0.000204 tlogG= -0.000853 logG= -0.001056 Density= 0.004539 ETOT(band)= -0.004731 trlgG= -0.005859 logG= -0.001056 TDE= -0.007049 Density= 0.035467 ETOT(band)= -0.038906 trlgG= -0.048660 logG= -0.009362 TDE= -0.056849 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002425 tlogG= -0.011882 logG= -0.014307 Density= 0.053520 ETOT(band)= -0.058375 trlgG= -0.073347 logG= -0.014307 TDE= -0.085524 logGD-logG0= -0.001471 tlogG= -0.008044 logG= -0.009515 Density= 0.035289 ETOT(band)= -0.039056 trlgG= -0.049024 logG= -0.009515 TDE= -0.056973 logGD-logG0= -0.004545 tlogG= -0.023973 logG= -0.028518 Density= 0.106096 ETOT(band)= -0.117062 trlgG= -0.146834 logG= -0.028518 TDE= -0.170817 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002520 tlogG= -0.012081 logG= -0.014601 Density= 0.053542 ETOT(band)= -0.058520 trlgG= -0.073710 logG= -0.014601 TDE= -0.085604 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.022989 logG= -0.027893 Density= 0.106794 ETOT(band)= -0.116435 trlgG= -0.145365 logG= -0.027893 TDE= -0.170319 logGD-logG0= -0.005208 tlogG= -0.022407 logG= -0.027616 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.024050 logG= -0.028569 Density= 0.106044 ETOT(band)= -0.117105 trlgG= -0.146947 logG= -0.028569 TDE= -0.170855 Density= 0.107549 ETOT(band)= -0.115914 trlgG= -0.144606 logG= -0.027616 TDE= -0.170211 logGD-logG0= -0.002702 tlogG= -0.012032 logG= -0.014734 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053718 ETOT(band)= -0.058510 trlgG= -0.073767 logG= -0.014734 TDE= -0.085616 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023205 logG= -0.028022 Density= 0.106659 ETOT(band)= -0.116566 trlgG= -0.145629 logG= -0.028022 TDE= -0.170387 logGD-logG0= -0.002659 tlogG= -0.011982 logG= -0.014641 Density= 0.054090 ETOT(band)= -0.058274 trlgG= -0.073633 logG= -0.014641 TDE= -0.085757 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002431 tlogG= -0.011447 logG= -0.013878 Density= 0.053694 ETOT(band)= -0.058045 trlgG= -0.072583 logG= -0.013878 TDE= -0.085275 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023427 logG= -0.028773 logGD-logG0= -0.004930 tlogG= -0.023501 logG= -0.028430 Density= 0.106694 ETOT(band)= -0.116758 trlgG= -0.146116 logG= -0.028430 TDE= -0.170483 logGD-logG0= -0.005234 tlogG= -0.022455 logG= -0.027689 logGD-logG0= -0.005352 tlogG= -0.023760 logG= -0.029111 Density= 0.108083 ETOT(band)= -0.116497 trlgG= -0.146990 logG= -0.029111 TDE= -0.171364 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108037 ETOT(band)= -0.116335 trlgG= -0.146454 logG= -0.028773 TDE= -0.171143 logGD-logG0= -0.005339 tlogG= -0.023946 logG= -0.029285 Density= 0.108112 ETOT(band)= -0.115690 trlgG= -0.144731 logG= -0.027689 TDE= -0.170542 logGD-logG0= -0.005478 tlogG= -0.024071 logG= -0.029549 Density= 0.107553 ETOT(band)= -0.117021 trlgG= -0.147680 logG= -0.029549 TDE= -0.171354 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108133 ETOT(band)= -0.116573 trlgG= -0.147269 logG= -0.029285 TDE= -0.171494 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001755 tlogG= -0.007304 logG= -0.009059 Density= 0.035816 ETOT(band)= -0.038559 trlgG= -0.047964 logG= -0.009059 TDE= -0.056628 logGD-logG0= -0.005303 tlogG= -0.022980 logG= -0.028283 Density= 0.108043 ETOT(band)= -0.116064 trlgG= -0.145679 logG= -0.028283 TDE= -0.170861 logGD-logG0= -0.005029 tlogG= -0.023687 logG= -0.028716 Density= 0.107293 ETOT(band)= -0.116673 trlgG= -0.146562 logG= -0.028716 TDE= -0.170940 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002729 tlogG= -0.011985 logG= -0.014714 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053936 ETOT(band)= -0.058394 trlgG= -0.073752 logG= -0.014714 TDE= -0.085728 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.024046 logG= -0.028787 logGD-logG0= -0.005525 tlogG= -0.024128 logG= -0.029653 Density= 0.106312 ETOT(band)= -0.117096 trlgG= -0.146960 logG= -0.028787 TDE= -0.170781 Density= 0.107719 ETOT(band)= -0.117018 trlgG= -0.147870 logG= -0.029653 TDE= -0.171522 logGD-logG0= -0.005492 tlogG= -0.024082 logG= -0.029574 Density= 0.107795 ETOT(band)= -0.116931 trlgG= -0.147745 logG= -0.029574 TDE= -0.171514 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023602 logG= -0.028930 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108109 ETOT(band)= -0.116382 trlgG= -0.146699 logG= -0.028930 TDE= -0.171267 logGD-logG0= -0.005486 tlogG= -0.023683 logG= -0.029168 logGD-logG0= -0.005193 tlogG= -0.024091 logG= -0.029284 Density= 0.107146 ETOT(band)= -0.116952 trlgG= -0.147008 logG= -0.029168 TDE= -0.170861 logGD-logG0= -0.005509 tlogG= -0.023903 logG= -0.029412 Density= 0.107661 ETOT(band)= -0.116888 trlgG= -0.147465 logG= -0.029412 TDE= -0.171329 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107292 ETOT(band)= -0.116984 trlgG= -0.147305 logG= -0.029284 TDE= -0.171114 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005429 tlogG= -0.023966 logG= -0.029394 Density= 0.107356 ETOT(band)= -0.117006 trlgG= -0.147405 logG= -0.029394 TDE= -0.171136 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023669 logG= -0.028544 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106520 ETOT(band)= -0.116903 trlgG= -0.146541 logG= -0.028544 TDE= -0.170708 logGD-logG0= -0.005326 tlogG= -0.023868 logG= -0.029193 Density= 0.108154 ETOT(band)= -0.116508 trlgG= -0.147120 logG= -0.029193 TDE= -0.171447 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.022732 logG= -0.027961 logGD-logG0= -0.005060 tlogG= -0.022849 logG= -0.027909 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107660 ETOT(band)= -0.116044 trlgG= -0.145094 logG= -0.027909 TDE= -0.170460 Density= 0.108156 ETOT(band)= -0.115828 trlgG= -0.145168 logG= -0.027961 TDE= -0.170728 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005498 tlogG= -0.023197 logG= -0.028695 logGD-logG0= -0.005307 tlogG= -0.022875 logG= -0.028182 Density= 0.107529 ETOT(band)= -0.116248 trlgG= -0.145503 logG= -0.028182 TDE= -0.170532 Density= 0.107594 ETOT(band)= -0.116497 trlgG= -0.146314 logG= -0.028695 TDE= -0.170862 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.006991 logG= -0.008680 Density= 0.036165 ETOT(band)= -0.038112 trlgG= -0.047305 logG= -0.008680 TDE= -0.056521 logGD-logG0= -0.005477 tlogG= -0.023866 logG= -0.029342 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107823 ETOT(band)= -0.116757 trlgG= -0.147360 logG= -0.029342 TDE= -0.171374 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005466 tlogG= -0.024054 logG= -0.029520 logGD-logG0= -0.002500 tlogG= -0.010426 logG= -0.012925 Density= 0.054330 ETOT(band)= -0.057051 trlgG= -0.070781 logG= -0.012925 TDE= -0.084741 Density= 0.107854 ETOT(band)= -0.116864 trlgG= -0.147657 logG= -0.029520 TDE= -0.171509 logGD-logG0= -0.010184 tlogG= -0.048240 logG= -0.058424 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009865 tlogG= -0.045758 logG= -0.055623 Density= 0.214849 ETOT(band)= -0.232206 trlgG= -0.290338 logG= -0.055623 TDE= -0.341033 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.020988 logG= -0.026005 Density= 0.108614 ETOT(band)= -0.114248 trlgG= -0.141841 logG= -0.026005 TDE= -0.169583 logGD-logG0= -0.010049 tlogG= -0.047155 logG= -0.057204 Density= 0.213606 ETOT(band)= -0.233635 trlgG= -0.293149 logG= -0.057204 TDE= -0.341649 Density= 0.214232 ETOT(band)= -0.234047 trlgG= -0.294733 logG= -0.058424 TDE= -0.342322 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009501 tlogG= -0.047631 logG= -0.057132 logGD-logG0= -0.010200 tlogG= -0.047159 logG= -0.057360 Density= 0.213617 ETOT(band)= -0.233680 trlgG= -0.292942 logG= -0.057360 TDE= -0.341291 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212773 ETOT(band)= -0.233928 trlgG= -0.293221 logG= -0.057132 TDE= -0.341379 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010330 tlogG= -0.047896 logG= -0.058226 Density= 0.213804 ETOT(band)= -0.234082 trlgG= -0.294418 logG= -0.058226 TDE= -0.341992 logGD-logG0= -0.005514 tlogG= -0.023575 logG= -0.029089 Density= 0.107709 ETOT(band)= -0.116660 trlgG= -0.146944 logG= -0.029089 TDE= -0.171155 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009929 tlogG= -0.047935 logG= -0.057863 Density= 0.213115 ETOT(band)= -0.234141 trlgG= -0.293863 logG= -0.057863 TDE= -0.341460 logGD-logG0= -0.010904 tlogG= -0.047745 logG= -0.058649 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010859 tlogG= -0.048081 logG= -0.058939 logGD-logG0= -0.010706 tlogG= -0.047980 logG= -0.058686 Density= 0.214584 ETOT(band)= -0.233974 trlgG= -0.294562 logG= -0.058649 TDE= -0.342100 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214894 ETOT(band)= -0.234030 trlgG= -0.295075 logG= -0.058939 TDE= -0.342476 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214897 ETOT(band)= -0.233885 trlgG= -0.294659 logG= -0.058686 TDE= -0.342315 logGD-logG0= -0.009821 tlogG= -0.047444 logG= -0.057265 logGD-logG0= -0.010145 tlogG= -0.045587 logG= -0.055732 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214146 ETOT(band)= -0.233468 trlgG= -0.293284 logG= -0.057265 TDE= -0.341989 logGD-logG0= -0.010768 tlogG= -0.047785 logG= -0.058554 Density= 0.214484 ETOT(band)= -0.233967 trlgG= -0.294392 logG= -0.058554 TDE= -0.341976 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214201 ETOT(band)= -0.232552 trlgG= -0.290511 logG= -0.055732 TDE= -0.340776 logGD-logG0= -0.010939 tlogG= -0.048015 logG= -0.058955 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214931 ETOT(band)= -0.234021 trlgG= -0.295103 logG= -0.058955 TDE= -0.342507 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010452 tlogG= -0.048027 logG= -0.058479 Density= 0.214361 ETOT(band)= -0.233995 trlgG= -0.294484 logG= -0.058479 TDE= -0.342082 logGD-logG0= -0.010565 tlogG= -0.047661 logG= -0.058226 Density= 0.213785 ETOT(band)= -0.234070 trlgG= -0.294170 logG= -0.058226 TDE= -0.341735 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010248 tlogG= -0.045648 logG= -0.055897 Density= 0.214979 ETOT(band)= -0.232283 trlgG= -0.290331 logG= -0.055897 TDE= -0.340817 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011004 tlogG= -0.047520 logG= -0.058523 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010930 tlogG= -0.047932 logG= -0.058862 Density= 0.215712 ETOT(band)= -0.233598 trlgG= -0.295015 logG= -0.058862 TDE= -0.342898 Density= 0.215518 ETOT(band)= -0.233481 trlgG= -0.294451 logG= -0.058523 TDE= -0.342577 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010561 tlogG= -0.046413 logG= -0.056974 Density= 0.215042 ETOT(band)= -0.232848 trlgG= -0.291962 logG= -0.056974 TDE= -0.341401 logGD-logG0= -0.010788 tlogG= -0.047313 logG= -0.058102 Density= 0.214094 ETOT(band)= -0.233865 trlgG= -0.293645 logG= -0.058102 TDE= -0.341488 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010985 tlogG= -0.047881 logG= -0.058865 Density= 0.215585 ETOT(band)= -0.233670 trlgG= -0.295016 logG= -0.058865 TDE= -0.342833 logGD-logG0= -0.005098 tlogG= -0.021563 logG= -0.026662 logGD-logG0= -0.010958 tlogG= -0.047425 logG= -0.058383 Density= 0.108420 ETOT(band)= -0.114835 trlgG= -0.142997 logG= -0.026662 TDE= -0.169987 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215288 ETOT(band)= -0.233519 trlgG= -0.294209 logG= -0.058383 TDE= -0.342362 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011000 tlogG= -0.046882 logG= -0.057882 logGD-logG0= -0.010175 tlogG= -0.047222 logG= -0.057397 Density= 0.215252 ETOT(band)= -0.233242 trlgG= -0.293408 logG= -0.057882 TDE= -0.342044 Density= 0.214309 ETOT(band)= -0.233432 trlgG= -0.293059 logG= -0.057397 TDE= -0.341713 logGD-logG0= -0.011051 tlogG= -0.048147 logG= -0.059199 Density= 0.215243 ETOT(band)= -0.234049 trlgG= -0.295542 logG= -0.059199 TDE= -0.342857 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.047153 logG= -0.057627 Density= 0.214976 ETOT(band)= -0.233250 trlgG= -0.292980 logG= -0.057627 TDE= -0.341734 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.021693 logG= -0.026898 Density= 0.107844 ETOT(band)= -0.115294 trlgG= -0.143424 logG= -0.026898 TDE= -0.169892 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005185 tlogG= -0.021874 logG= -0.027058 Density= 0.108231 ETOT(band)= -0.115201 trlgG= -0.143675 logG= -0.027058 TDE= -0.170175 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010403 tlogG= -0.043388 logG= -0.053792 Density= 0.216097 ETOT(band)= -0.230380 trlgG= -0.286827 logG= -0.053792 TDE= -0.339971 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005264 tlogG= -0.021817 logG= -0.027081 Density= 0.107702 ETOT(band)= -0.115486 trlgG= -0.143733 logG= -0.027081 TDE= -0.169948 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005310 tlogG= -0.022439 logG= -0.027749 Density= 0.216189 ETOT(band)= -0.231198 trlgG= -0.288950 logG= -0.027749 TDE= -0.170482 logGD-logG0= -0.005107 tlogG= -0.023885 logG= -0.028992 Density= 0.213626 ETOT(band)= -0.233909 trlgG= -0.293340 logG= -0.028992 TDE= -0.170707 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023411 logG= -0.028815 Density= 0.216014 ETOT(band)= -0.232572 trlgG= -0.292552 logG= -0.028815 TDE= -0.171103 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.024004 logG= -0.028938 Density= 0.213955 ETOT(band)= -0.233987 trlgG= -0.294471 logG= -0.028938 TDE= -0.171145 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023369 logG= -0.028213 Density= 0.214020 ETOT(band)= -0.233272 trlgG= -0.292675 logG= -0.028213 TDE= -0.170824 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.023834 logG= -0.028863 Density= 0.213413 ETOT(band)= -0.234045 trlgG= -0.294078 logG= -0.028863 TDE= -0.170963 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005468 logG= -0.006740 Density= 0.081131 ETOT(band)= -0.086322 trlgG= -0.107501 logG= -0.006740 TDE= -0.042552 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004986 tlogG= -0.022325 logG= -0.027312 Density= 0.214860 ETOT(band)= -0.231857 trlgG= -0.289430 logG= -0.027312 TDE= -0.170170 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001497 tlogG= -0.007965 logG= -0.009462 Density= 0.070818 ETOT(band)= -0.077912 trlgG= -0.097563 logG= -0.009462 TDE= -0.056934 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001326 tlogG= -0.005938 logG= -0.007265 Density= 0.080764 ETOT(band)= -0.087614 trlgG= -0.110492 logG= -0.007265 TDE= -0.042845 logGD-logG0= -0.004680 tlogG= -0.023586 logG= -0.028266 Density= 0.212471 ETOT(band)= -0.233882 trlgG= -0.293071 logG= -0.028266 TDE= -0.170611 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001322 tlogG= -0.005855 logG= -0.007176 Density= 0.080583 ETOT(band)= -0.087578 trlgG= -0.110296 logG= -0.007176 TDE= -0.042791 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022906 logG= -0.028063 logGD-logG0= -0.001636 tlogG= -0.007588 logG= -0.009224 Density= 0.071443 ETOT(band)= -0.077314 trlgG= -0.096267 logG= -0.009224 TDE= -0.056710 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214630 ETOT(band)= -0.232303 trlgG= -0.290028 logG= -0.028063 TDE= -0.170348 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005747 logG= -0.007054 Density= 0.080572 ETOT(band)= -0.087362 trlgG= -0.109740 logG= -0.007054 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004493 tlogG= -0.024130 logG= -0.028623 Density= 0.212027 ETOT(band)= -0.234260 trlgG= -0.294018 logG= -0.028623 TDE= -0.170893 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005983 logG= -0.007308 Density= 0.080991 ETOT(band)= -0.087519 trlgG= -0.110547 logG= -0.007308 TDE= -0.042875 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023739 logG= -0.028364 Density= 0.212936 ETOT(band)= -0.233478 trlgG= -0.292097 logG= -0.028364 TDE= -0.170696 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005171 logG= -0.006405 Density= 0.062493 ETOT(band)= -0.067515 trlgG= -0.084307 logG= -0.006405 TDE= -0.042339 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001645 tlogG= -0.006874 logG= -0.008519 logGD-logG0= -0.004794 tlogG= -0.023890 logG= -0.028685 Density= 0.213126 ETOT(band)= -0.233756 trlgG= -0.292833 logG= -0.028685 TDE= -0.170701 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040811 ETOT(band)= -0.042658 trlgG= -0.052865 logG= -0.008519 TDE= -0.056436 logGD-logG0= -0.005212 tlogG= -0.024155 logG= -0.029368 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214568 ETOT(band)= -0.234074 trlgG= -0.294871 logG= -0.029368 TDE= -0.171152 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005564 tlogG= -0.023893 logG= -0.029457 Density= 0.215464 ETOT(band)= -0.233672 trlgG= -0.294897 logG= -0.029457 TDE= -0.171346 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005422 tlogG= -0.023997 logG= -0.029419 Density= 0.215504 ETOT(band)= -0.233770 trlgG= -0.295170 logG= -0.029419 TDE= -0.171491 logGD-logG0= -0.001286 tlogG= -0.005619 logG= -0.006905 Density= 0.080772 ETOT(band)= -0.086933 trlgG= -0.108737 logG= -0.006905 TDE= -0.042649 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023484 logG= -0.028927 Density= 0.215040 ETOT(band)= -0.233236 trlgG= -0.293252 logG= -0.028927 TDE= -0.171082 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009341 tlogG= -0.048095 logG= -0.057437 logGD-logG0= -0.005398 tlogG= -0.023758 logG= -0.029155 Density= 0.216091 ETOT(band)= -0.232953 trlgG= -0.293760 logG= -0.029155 TDE= -0.171341 logGD-logG0= -0.005140 tlogG= -0.022290 logG= -0.027431 Density= 0.214100 ETOT(band)= -0.232340 trlgG= -0.289778 logG= -0.027431 TDE= -0.170083 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.425232 ETOT(band)= -0.468123 trlgG= -0.587134 logG= -0.057437 TDE= -0.341613 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.023995 logG= -0.029380 Density= 0.216166 ETOT(band)= -0.233256 trlgG= -0.294698 logG= -0.029380 TDE= -0.171509 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047654 logG= -0.057683 Density= 0.426356 ETOT(band)= -0.468161 trlgG= -0.587650 logG= -0.057683 TDE= -0.341626 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023845 logG= -0.029112 logGD-logG0= -0.009983 tlogG= -0.047773 logG= -0.057756 Density= 0.426857 ETOT(band)= -0.467714 trlgG= -0.586505 logG= -0.057756 TDE= -0.341328 Density= 0.215316 ETOT(band)= -0.233670 trlgG= -0.294618 logG= -0.029112 TDE= -0.171025 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005455 tlogG= -0.023795 logG= -0.029250 Density= 0.215156 ETOT(band)= -0.233673 trlgG= -0.294517 logG= -0.029250 TDE= -0.171338 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010317 tlogG= -0.046397 logG= -0.056714 Density= 0.429196 ETOT(band)= -0.465366 trlgG= -0.582204 logG= -0.056714 TDE= -0.341163 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005516 tlogG= -0.024117 logG= -0.029633 Density= 0.215536 ETOT(band)= -0.233926 trlgG= -0.295585 logG= -0.029633 TDE= -0.171522 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023952 logG= -0.029330 Density= 0.216200 ETOT(band)= -0.233152 trlgG= -0.294466 logG= -0.029330 TDE= -0.171482 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.024004 logG= -0.028970 Density= 0.321313 ETOT(band)= -0.350963 trlgG= -0.441855 logG= -0.028970 TDE= -0.171141 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.021300 logG= -0.026399 Density= 0.162507 ETOT(band)= -0.172923 trlgG= -0.216180 logG= -0.026399 TDE= -0.169799 logGD-logG0= -0.005272 tlogG= -0.023955 logG= -0.029227 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214171 ETOT(band)= -0.233999 trlgG= -0.294252 logG= -0.029227 TDE= -0.170978 logGD-logG0= -0.005238 tlogG= -0.024161 logG= -0.029399 Density= 0.322178 ETOT(band)= -0.351083 trlgG= -0.442532 logG= -0.029399 TDE= -0.171147 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.023366 logG= -0.028242 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321387 ETOT(band)= -0.349912 trlgG= -0.439274 logG= -0.028242 TDE= -0.170816 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.047778 logG= -0.058577 Density= 0.324070 ETOT(band)= -0.349788 trlgG= -0.441544 logG= -0.058577 TDE= -0.342857 logGD-logG0= -0.010845 tlogG= -0.047227 logG= -0.058072 Density= 0.323856 ETOT(band)= -0.349418 trlgG= -0.440194 logG= -0.058072 TDE= -0.342466 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005612 tlogG= -0.023679 logG= -0.029291 Density= 0.215229 ETOT(band)= -0.233523 trlgG= -0.294197 logG= -0.029291 TDE= -0.171169 logGD-logG0= -0.004769 tlogG= -0.023973 logG= -0.028742 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011080 tlogG= -0.048037 logG= -0.059117 Density= 0.212656 ETOT(band)= -0.234163 trlgG= -0.293826 logG= -0.028742 TDE= -0.170749 Density= 0.322976 ETOT(band)= -0.350853 trlgG= -0.442881 logG= -0.059117 TDE= -0.342847 logGD-logG0= -0.009829 tlogG= -0.046714 logG= -0.056542 Density= 0.427574 ETOT(band)= -0.465925 trlgG= -0.582514 logG= -0.056542 TDE= -0.341049 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005307 logG= -0.006560 Density= 0.081486 ETOT(band)= -0.085656 trlgG= -0.106343 logG= -0.006560 TDE= -0.042441 logGD-logG0= -0.005375 tlogG= -0.022965 logG= -0.028340 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216043 ETOT(band)= -0.231997 trlgG= -0.290936 logG= -0.028340 TDE= -0.170816 logGD-logG0= -0.010557 tlogG= -0.045631 logG= -0.056189 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323776 ETOT(band)= -0.347813 trlgG= -0.435486 logG= -0.056189 TDE= -0.341287 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023242 logG= -0.028218 Density= 0.213342 ETOT(band)= -0.233510 trlgG= -0.292558 logG= -0.028218 TDE= -0.170659 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023245 logG= -0.028466 logGD-logG0= -0.010839 tlogG= -0.046409 logG= -0.057248 Density= 0.321450 ETOT(band)= -0.350422 trlgG= -0.440126 logG= -0.028466 TDE= -0.170769 Density= 0.323724 ETOT(band)= -0.348759 trlgG= -0.438106 logG= -0.057248 TDE= -0.341910 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010349 tlogG= -0.044622 logG= -0.054971 Density= 0.324018 ETOT(band)= -0.346543 trlgG= -0.432475 logG= -0.054971 TDE= -0.340611 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.024084 logG= -0.029526 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322792 ETOT(band)= -0.351060 trlgG= -0.443183 logG= -0.029526 TDE= -0.171335 logGD-logG0= -0.010068 tlogG= -0.046603 logG= -0.056670 logGD-logG0= -0.005549 tlogG= -0.023952 logG= -0.029501 Density= 0.322448 ETOT(band)= -0.348873 trlgG= -0.436919 logG= -0.056670 TDE= -0.341443 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323386 ETOT(band)= -0.350528 trlgG= -0.442628 logG= -0.029501 TDE= -0.171394 logGD-logG0= -0.005626 tlogG= -0.023356 logG= -0.028982 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214933 ETOT(band)= -0.233262 trlgG= -0.293055 logG= -0.028982 TDE= -0.170875 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.021350 logG= -0.026532 logGD-logG0= -0.001757 tlogG= -0.007116 logG= -0.008873 Density= 0.072169 ETOT(band)= -0.076451 trlgG= -0.094958 logG= -0.008873 TDE= -0.056595 Density= 0.216833 ETOT(band)= -0.229094 trlgG= -0.284632 logG= -0.026532 TDE= -0.169812 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005359 tlogG= -0.023197 logG= -0.028556 logGD-logG0= -0.010701 tlogG= -0.047954 logG= -0.058655 logGD-logG0= -0.010029 tlogG= -0.047835 logG= -0.057864 Density= 0.427707 ETOT(band)= -0.467957 trlgG= -0.588527 logG= -0.057864 TDE= -0.342096 Density= 0.428860 ETOT(band)= -0.468041 trlgG= -0.588941 logG= -0.058655 TDE= -0.341978 Density= 0.214698 ETOT(band)= -0.232860 trlgG= -0.291558 logG= -0.028556 TDE= -0.170531 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009889 tlogG= -0.046603 logG= -0.056492 Density= 0.427773 ETOT(band)= -0.466650 trlgG= -0.585127 logG= -0.056492 TDE= -0.341466 logGD-logG0= -0.010532 tlogG= -0.048145 logG= -0.058677 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428956 ETOT(band)= -0.468080 trlgG= -0.589301 logG= -0.058677 TDE= -0.342144 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047668 logG= -0.058307 Density= 0.427958 ETOT(band)= -0.467944 trlgG= -0.587859 logG= -0.058307 TDE= -0.341737 logGD-logG0= -0.010664 tlogG= -0.048220 logG= -0.058884 Density= 0.429685 ETOT(band)= -0.468089 trlgG= -0.590066 logG= -0.058884 TDE= -0.342350 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010873 tlogG= -0.048071 logG= -0.058944 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429791 ETOT(band)= -0.467920 trlgG= -0.589739 logG= -0.058944 TDE= -0.342476 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010204 tlogG= -0.047851 logG= -0.058054 Density= 0.428795 ETOT(band)= -0.467741 trlgG= -0.588511 logG= -0.058054 TDE= -0.342085 logGD-logG0= -0.011153 tlogG= -0.047683 logG= -0.058836 logGD-logG0= -0.011040 tlogG= -0.047730 logG= -0.058770 Density= 0.430393 ETOT(band)= -0.467347 trlgG= -0.589029 logG= -0.058770 TDE= -0.342493 Density= 0.430730 ETOT(band)= -0.467293 trlgG= -0.589390 logG= -0.058836 TDE= -0.342600 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011079 tlogG= -0.048008 logG= -0.059086 Density= 0.430968 ETOT(band)= -0.467577 trlgG= -0.590386 logG= -0.059086 TDE= -0.342865 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010701 tlogG= -0.046930 logG= -0.057630 Density= 0.429536 ETOT(band)= -0.466288 trlgG= -0.584896 logG= -0.057630 TDE= -0.341446 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010385 tlogG= -0.047556 logG= -0.057940 Density= 0.428274 ETOT(band)= -0.467288 trlgG= -0.586902 logG= -0.057940 TDE= -0.341782 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011099 tlogG= -0.047269 logG= -0.058368 Density= 0.430127 ETOT(band)= -0.466920 trlgG= -0.587555 logG= -0.058368 TDE= -0.342110 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010626 tlogG= -0.047569 logG= -0.058195 Density= 0.429661 ETOT(band)= -0.466937 trlgG= -0.586828 logG= -0.058195 TDE= -0.341890 logGD-logG0= -0.005026 tlogG= -0.022326 logG= -0.027353 Density= 0.322616 ETOT(band)= -0.347840 trlgG= -0.434526 logG= -0.027353 TDE= -0.170165 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.021205 logG= -0.026345 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216166 ETOT(band)= -0.229951 trlgG= -0.285884 logG= -0.026345 TDE= -0.169718 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005272 tlogG= -0.021878 logG= -0.027150 Density= 0.216443 ETOT(band)= -0.230201 trlgG= -0.286835 logG= -0.027150 TDE= -0.170143 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.022473 logG= -0.027580 Density= 0.214855 ETOT(band)= -0.231568 trlgG= -0.288384 logG= -0.027580 TDE= -0.170096 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.044623 logG= -0.054822 Density= 0.431256 ETOT(band)= -0.461901 trlgG= -0.575426 logG= -0.054822 TDE= -0.340248 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.689762343849 eV TrLogG= -407.627950212963 eV Ratio to renormalize= 1.000832136158 rho-rho_expected=-0.018291774237 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964502962472390 0.940096348836596 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004741 tlogG= -0.024046 logG= -0.028787 Density= 0.106312 ETOT(band)= -0.117097 trlgG= -0.146961 logG= -0.028787 TDE= -0.170782 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.022169 logG= -0.027318 Density= 0.108267 ETOT(band)= -0.115385 trlgG= -0.144125 logG= -0.027318 TDE= -0.170383 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005486 tlogG= -0.023683 logG= -0.029168 Density= 0.107146 ETOT(band)= -0.116953 trlgG= -0.147009 logG= -0.029168 TDE= -0.170862 logGD-logG0= -0.005296 tlogG= -0.023213 logG= -0.028509 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108101 ETOT(band)= -0.116158 trlgG= -0.146036 logG= -0.028509 TDE= -0.171021 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023669 logG= -0.028545 Density= 0.106520 ETOT(band)= -0.116904 trlgG= -0.146542 logG= -0.028545 TDE= -0.170709 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.024067 logG= -0.029148 Density= 0.106973 ETOT(band)= -0.117044 trlgG= -0.147328 logG= -0.029148 TDE= -0.171116 logGD-logG0= -0.005307 tlogG= -0.022876 logG= -0.028182 Density= 0.107530 ETOT(band)= -0.116248 trlgG= -0.145504 logG= -0.028182 TDE= -0.170533 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.022850 logG= -0.027788 Density= 0.107215 ETOT(band)= -0.116185 trlgG= -0.145217 logG= -0.027788 TDE= -0.170484 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000204 tlogG= -0.000853 logG= -0.001056 Density= 0.004539 ETOT(band)= -0.004731 trlgG= -0.005859 logG= -0.001056 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001551 tlogG= -0.007811 logG= -0.009362 Density= 0.035467 ETOT(band)= -0.038906 trlgG= -0.048660 logG= -0.009362 TDE= -0.056849 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001471 tlogG= -0.008044 logG= -0.009515 Density= 0.035289 ETOT(band)= -0.039056 trlgG= -0.049024 logG= -0.009515 TDE= -0.056973 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.024050 logG= -0.028569 Density= 0.106045 ETOT(band)= -0.117106 trlgG= -0.146948 logG= -0.028569 TDE= -0.170856 logGD-logG0= -0.002425 tlogG= -0.011882 logG= -0.014307 Density= 0.053520 ETOT(band)= -0.058375 trlgG= -0.073347 logG= -0.014307 TDE= -0.085525 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023973 logG= -0.028518 Density= 0.106096 ETOT(band)= -0.117062 trlgG= -0.146835 logG= -0.028518 TDE= -0.170818 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023205 logG= -0.028023 logGD-logG0= -0.002702 tlogG= -0.012032 logG= -0.014734 Density= 0.106659 ETOT(band)= -0.116566 trlgG= -0.145630 logG= -0.028023 TDE= -0.170387 Density= 0.053719 ETOT(band)= -0.058510 trlgG= -0.073767 logG= -0.014734 TDE= -0.085616 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002520 tlogG= -0.012081 logG= -0.014601 Density= 0.053542 ETOT(band)= -0.058520 trlgG= -0.073710 logG= -0.014601 TDE= -0.085604 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002431 tlogG= -0.011447 logG= -0.013878 Density= 0.053695 ETOT(band)= -0.058045 trlgG= -0.072583 logG= -0.013878 TDE= -0.085276 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.022408 logG= -0.027616 Density= 0.107549 ETOT(band)= -0.115914 trlgG= -0.144607 logG= -0.027616 TDE= -0.170212 logGD-logG0= -0.004930 tlogG= -0.023501 logG= -0.028430 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106695 ETOT(band)= -0.116758 trlgG= -0.146117 logG= -0.028430 TDE= -0.170484 logGD-logG0= -0.004904 tlogG= -0.022989 logG= -0.027893 Density= 0.106794 ETOT(band)= -0.116436 trlgG= -0.145366 logG= -0.027893 TDE= -0.170320 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.022456 logG= -0.027689 Density= 0.108112 ETOT(band)= -0.115691 trlgG= -0.144732 logG= -0.027689 TDE= -0.170543 logGD-logG0= -0.002659 tlogG= -0.011982 logG= -0.014642 Density= 0.054090 ETOT(band)= -0.058274 trlgG= -0.073633 logG= -0.014642 TDE= -0.085758 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.023760 logG= -0.029112 Density= 0.108083 ETOT(band)= -0.116498 trlgG= -0.146991 logG= -0.029112 TDE= -0.171365 logGD-logG0= -0.005346 tlogG= -0.023427 logG= -0.028773 Density= 0.108038 ETOT(band)= -0.116335 trlgG= -0.146455 logG= -0.028773 TDE= -0.171144 logGD-logG0= -0.002729 tlogG= -0.011986 logG= -0.014714 logGD-logG0= -0.005477 tlogG= -0.024071 logG= -0.029549 Density= 0.107553 ETOT(band)= -0.117022 trlgG= -0.147681 logG= -0.029549 TDE= -0.171355 Density= 0.053936 ETOT(band)= -0.058395 trlgG= -0.073753 logG= -0.014714 TDE= -0.085729 logGD-logG0= -0.005339 tlogG= -0.023946 logG= -0.029285 Density= 0.108133 ETOT(band)= -0.116573 trlgG= -0.147270 logG= -0.029285 TDE= -0.171494 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.022980 logG= -0.028283 Density= 0.108043 ETOT(band)= -0.116064 trlgG= -0.145680 logG= -0.028283 TDE= -0.170862 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002500 tlogG= -0.010426 logG= -0.012926 logGD-logG0= -0.005060 tlogG= -0.022849 logG= -0.027909 Density= 0.054330 ETOT(band)= -0.057051 trlgG= -0.070781 logG= -0.012926 TDE= -0.084741 Density= 0.107660 ETOT(band)= -0.116044 trlgG= -0.145094 logG= -0.027909 TDE= -0.170461 logGD-logG0= -0.005509 tlogG= -0.023903 logG= -0.029412 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107661 ETOT(band)= -0.116889 trlgG= -0.147466 logG= -0.029412 TDE= -0.171330 logGD-logG0= -0.001755 tlogG= -0.007304 logG= -0.009059 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.024092 logG= -0.029284 Density= 0.107293 ETOT(band)= -0.116985 trlgG= -0.147306 logG= -0.029284 TDE= -0.171115 Density= 0.035816 ETOT(band)= -0.038559 trlgG= -0.047964 logG= -0.009059 TDE= -0.056628 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001689 tlogG= -0.006991 logG= -0.008680 logGD-logG0= -0.005328 tlogG= -0.023602 logG= -0.028930 Density= 0.036165 ETOT(band)= -0.038112 trlgG= -0.047306 logG= -0.008680 TDE= -0.056522 Density= 0.108109 ETOT(band)= -0.116382 trlgG= -0.146700 logG= -0.028930 TDE= -0.171268 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005193 tlogG= -0.023646 logG= -0.028838 Density= 0.106896 ETOT(band)= -0.116879 trlgG= -0.146457 logG= -0.028838 TDE= -0.170517 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023868 logG= -0.029194 logGD-logG0= -0.005229 tlogG= -0.022732 logG= -0.027961 Density= 0.108156 ETOT(band)= -0.115828 trlgG= -0.145169 logG= -0.027961 TDE= -0.170729 Density= 0.108154 ETOT(band)= -0.116509 trlgG= -0.147121 logG= -0.029194 TDE= -0.171447 logGD-logG0= -0.005098 tlogG= -0.023896 logG= -0.028994 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106677 ETOT(band)= -0.117060 trlgG= -0.147072 logG= -0.028994 TDE= -0.170867 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005429 tlogG= -0.023966 logG= -0.029395 Density= 0.107356 ETOT(band)= -0.117007 trlgG= -0.147406 logG= -0.029395 TDE= -0.171137 logGD-logG0= -0.005029 tlogG= -0.023687 logG= -0.028716 Density= 0.107293 ETOT(band)= -0.116673 trlgG= -0.146563 logG= -0.028716 TDE= -0.170941 logGD-logG0= -0.004907 tlogG= -0.023684 logG= -0.028592 Density= 0.106895 ETOT(band)= -0.116789 trlgG= -0.146650 logG= -0.028592 TDE= -0.170955 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005492 tlogG= -0.024082 logG= -0.029574 logGD-logG0= -0.005498 tlogG= -0.023197 logG= -0.028695 Density= 0.107594 ETOT(band)= -0.116498 trlgG= -0.146315 logG= -0.028695 TDE= -0.170863 Density= 0.107796 ETOT(band)= -0.116931 trlgG= -0.147746 logG= -0.029574 TDE= -0.171515 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005466 tlogG= -0.024054 logG= -0.029520 logGD-logG0= -0.005477 tlogG= -0.023866 logG= -0.029342 Density= 0.107854 ETOT(band)= -0.116864 trlgG= -0.147658 logG= -0.029520 TDE= -0.171510 Density= 0.107823 ETOT(band)= -0.116758 trlgG= -0.147361 logG= -0.029342 TDE= -0.171375 logGD-logG0= -0.010183 tlogG= -0.048241 logG= -0.058424 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214233 ETOT(band)= -0.234048 trlgG= -0.294734 logG= -0.058424 TDE= -0.342323 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010048 tlogG= -0.047155 logG= -0.057204 Density= 0.213607 ETOT(band)= -0.233636 trlgG= -0.293151 logG= -0.057204 TDE= -0.341651 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005514 tlogG= -0.023575 logG= -0.029089 Density= 0.107709 ETOT(band)= -0.116661 trlgG= -0.146945 logG= -0.029089 TDE= -0.171156 logGD-logG0= -0.009865 tlogG= -0.045758 logG= -0.055623 Density= 0.214849 ETOT(band)= -0.232207 trlgG= -0.290339 logG= -0.055623 TDE= -0.341034 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010330 tlogG= -0.047896 logG= -0.058226 Density= 0.213804 ETOT(band)= -0.234084 trlgG= -0.294419 logG= -0.058226 TDE= -0.341994 logGD-logG0= -0.009501 tlogG= -0.047632 logG= -0.057133 Density= 0.212774 ETOT(band)= -0.233929 trlgG= -0.293222 logG= -0.057133 TDE= -0.341381 logGD-logG0= -0.005525 tlogG= -0.024128 logG= -0.029653 Density= 0.107719 ETOT(band)= -0.117019 trlgG= -0.147871 logG= -0.029653 TDE= -0.171523 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009929 tlogG= -0.047935 logG= -0.057863 logGD-logG0= -0.010200 tlogG= -0.047159 logG= -0.057360 Density= 0.213617 ETOT(band)= -0.233681 trlgG= -0.292944 logG= -0.057360 TDE= -0.341293 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213115 ETOT(band)= -0.234142 trlgG= -0.293865 logG= -0.057863 TDE= -0.341462 logGD-logG0= -0.010768 tlogG= -0.047786 logG= -0.058554 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214485 ETOT(band)= -0.233968 trlgG= -0.294394 logG= -0.058554 TDE= -0.341978 logGD-logG0= -0.010858 tlogG= -0.048081 logG= -0.058939 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010904 tlogG= -0.047746 logG= -0.058650 Density= 0.214584 ETOT(band)= -0.233975 trlgG= -0.294564 logG= -0.058650 TDE= -0.342101 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214895 ETOT(band)= -0.234031 trlgG= -0.295077 logG= -0.058939 TDE= -0.342478 logGD-logG0= -0.010706 tlogG= -0.047980 logG= -0.058686 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214898 ETOT(band)= -0.233886 trlgG= -0.294660 logG= -0.058686 TDE= -0.342316 logGD-logG0= -0.005017 tlogG= -0.020989 logG= -0.026005 Density= 0.108614 ETOT(band)= -0.114248 trlgG= -0.141842 logG= -0.026005 TDE= -0.169584 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010452 tlogG= -0.048027 logG= -0.058479 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214361 ETOT(band)= -0.233996 trlgG= -0.294486 logG= -0.058479 TDE= -0.342083 logGD-logG0= -0.009821 tlogG= -0.047444 logG= -0.057265 Density= 0.214146 ETOT(band)= -0.233470 trlgG= -0.293285 logG= -0.057265 TDE= -0.341991 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011003 tlogG= -0.047520 logG= -0.058524 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010929 tlogG= -0.047933 logG= -0.058862 Density= 0.215519 ETOT(band)= -0.233482 trlgG= -0.294453 logG= -0.058524 TDE= -0.342579 Density= 0.215712 ETOT(band)= -0.233600 trlgG= -0.295016 logG= -0.058862 TDE= -0.342899 logGD-logG0= -0.010248 tlogG= -0.045649 logG= -0.055897 logGD-logG0= -0.010788 tlogG= -0.047314 logG= -0.058102 Density= 0.214095 ETOT(band)= -0.233866 trlgG= -0.293647 logG= -0.058102 TDE= -0.341489 Density= 0.214980 ETOT(band)= -0.232285 trlgG= -0.290333 logG= -0.055897 TDE= -0.340819 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010561 tlogG= -0.046414 logG= -0.056975 Density= 0.215043 ETOT(band)= -0.232849 trlgG= -0.291964 logG= -0.056975 TDE= -0.341403 logGD-logG0= -0.010145 tlogG= -0.045587 logG= -0.055732 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214201 ETOT(band)= -0.232553 trlgG= -0.290512 logG= -0.055732 TDE= -0.340778 logGD-logG0= -0.010984 tlogG= -0.047881 logG= -0.058866 Density= 0.215585 ETOT(band)= -0.233671 trlgG= -0.295018 logG= -0.058866 TDE= -0.342834 logGD-logG0= -0.005264 tlogG= -0.021817 logG= -0.027081 Density= 0.107702 ETOT(band)= -0.115486 trlgG= -0.143733 logG= -0.027081 TDE= -0.169949 logGD-logG0= -0.002560 tlogG= -0.010841 logG= -0.013401 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011051 tlogG= -0.048148 logG= -0.059199 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054018 ETOT(band)= -0.057567 trlgG= -0.071626 logG= -0.013401 TDE= -0.084956 Density= 0.215244 ETOT(band)= -0.234050 trlgG= -0.295544 logG= -0.059199 TDE= -0.342858 logGD-logG0= -0.010175 tlogG= -0.047222 logG= -0.057397 Density= 0.214310 ETOT(band)= -0.233433 trlgG= -0.293061 logG= -0.057397 TDE= -0.341715 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.047153 logG= -0.057627 logGD-logG0= -0.011000 tlogG= -0.046882 logG= -0.057882 Density= 0.214977 ETOT(band)= -0.233251 trlgG= -0.292981 logG= -0.057627 TDE= -0.341736 Density= 0.215252 ETOT(band)= -0.233243 trlgG= -0.293410 logG= -0.057882 TDE= -0.342045 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.021694 logG= -0.026899 Density= 0.107844 ETOT(band)= -0.115295 trlgG= -0.143425 logG= -0.026899 TDE= -0.169893 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005185 tlogG= -0.021874 logG= -0.027059 Density= 0.108231 ETOT(band)= -0.115201 trlgG= -0.143676 logG= -0.027059 TDE= -0.170176 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010403 tlogG= -0.043389 logG= -0.053792 Density= 0.216098 ETOT(band)= -0.230381 trlgG= -0.286829 logG= -0.053792 TDE= -0.339973 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005098 tlogG= -0.021564 logG= -0.026662 Density= 0.108420 ETOT(band)= -0.114835 trlgG= -0.142998 logG= -0.026662 TDE= -0.169987 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010939 tlogG= -0.048016 logG= -0.058955 Density= 0.214931 ETOT(band)= -0.234022 trlgG= -0.295104 logG= -0.058955 TDE= -0.342508 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010958 tlogG= -0.047425 logG= -0.058383 Density= 0.215289 ETOT(band)= -0.233520 trlgG= -0.294211 logG= -0.058383 TDE= -0.342364 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023955 logG= -0.029227 Density= 0.214172 ETOT(band)= -0.234000 trlgG= -0.294254 logG= -0.029227 TDE= -0.170979 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023973 logG= -0.028742 Density= 0.212657 ETOT(band)= -0.234164 trlgG= -0.293828 logG= -0.028742 TDE= -0.170750 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.022439 logG= -0.027749 Density= 0.216189 ETOT(band)= -0.231199 trlgG= -0.288952 logG= -0.027749 TDE= -0.170483 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023412 logG= -0.028815 Density= 0.216014 ETOT(band)= -0.232573 trlgG= -0.292554 logG= -0.028815 TDE= -0.171103 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.024005 logG= -0.028938 Density= 0.213955 ETOT(band)= -0.233988 trlgG= -0.294473 logG= -0.028938 TDE= -0.171146 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.023197 logG= -0.028556 Density= 0.214699 ETOT(band)= -0.232861 trlgG= -0.291560 logG= -0.028556 TDE= -0.170532 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023242 logG= -0.028218 Density= 0.213343 ETOT(band)= -0.233511 trlgG= -0.292559 logG= -0.028218 TDE= -0.170660 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010565 tlogG= -0.047662 logG= -0.058227 Density= 0.213785 ETOT(band)= -0.234071 trlgG= -0.294172 logG= -0.058227 TDE= -0.341737 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.022326 logG= -0.027312 Density= 0.214861 ETOT(band)= -0.231858 trlgG= -0.289431 logG= -0.027312 TDE= -0.170171 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001497 tlogG= -0.007965 logG= -0.009462 Density= 0.070818 ETOT(band)= -0.077913 trlgG= -0.097563 logG= -0.009462 TDE= -0.056934 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004492 tlogG= -0.024130 logG= -0.028623 Density= 0.212027 ETOT(band)= -0.234261 trlgG= -0.294019 logG= -0.028623 TDE= -0.170894 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023739 logG= -0.028364 Density= 0.212936 ETOT(band)= -0.233479 trlgG= -0.292099 logG= -0.028364 TDE= -0.170697 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023586 logG= -0.028266 Density= 0.212472 ETOT(band)= -0.233883 trlgG= -0.293073 logG= -0.028266 TDE= -0.170612 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023890 logG= -0.028685 Density= 0.213127 ETOT(band)= -0.233757 trlgG= -0.292835 logG= -0.028685 TDE= -0.170701 logGD-logG0= -0.001234 tlogG= -0.005171 logG= -0.006406 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062493 ETOT(band)= -0.067516 trlgG= -0.084308 logG= -0.006406 TDE= -0.042339 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001645 tlogG= -0.006874 logG= -0.008519 Density= 0.040811 ETOT(band)= -0.042658 trlgG= -0.052865 logG= -0.008519 TDE= -0.056436 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005157 tlogG= -0.022906 logG= -0.028063 Density= 0.214631 ETOT(band)= -0.232305 trlgG= -0.290030 logG= -0.028063 TDE= -0.170349 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001636 tlogG= -0.007588 logG= -0.009224 Density= 0.071443 ETOT(band)= -0.077315 trlgG= -0.096268 logG= -0.009224 TDE= -0.056710 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005747 logG= -0.007054 Density= 0.080572 ETOT(band)= -0.087362 trlgG= -0.109740 logG= -0.007054 TDE= -0.042726 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001326 tlogG= -0.005938 logG= -0.007265 Density= 0.080764 ETOT(band)= -0.087615 trlgG= -0.110493 logG= -0.007265 TDE= -0.042845 logGD-logG0= -0.001286 tlogG= -0.005619 logG= -0.006905 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080772 ETOT(band)= -0.086934 trlgG= -0.108738 logG= -0.006905 TDE= -0.042649 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001322 tlogG= -0.005855 logG= -0.007176 Density= 0.080583 ETOT(band)= -0.087578 trlgG= -0.110296 logG= -0.007176 TDE= -0.042791 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005983 logG= -0.007308 Density= 0.080991 ETOT(band)= -0.087519 trlgG= -0.110548 logG= -0.007308 TDE= -0.042875 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005307 logG= -0.006560 Density= 0.081486 ETOT(band)= -0.085657 trlgG= -0.106344 logG= -0.006560 TDE= -0.042441 logGD-logG0= -0.005422 tlogG= -0.023997 logG= -0.029419 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215504 ETOT(band)= -0.233771 trlgG= -0.295171 logG= -0.029419 TDE= -0.171492 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005455 tlogG= -0.023795 logG= -0.029250 Density= 0.215156 ETOT(band)= -0.233674 trlgG= -0.294519 logG= -0.029250 TDE= -0.171339 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.023995 logG= -0.029380 Density= 0.216167 ETOT(band)= -0.233257 trlgG= -0.294699 logG= -0.029380 TDE= -0.171509 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001757 tlogG= -0.007116 logG= -0.008874 Density= 0.072169 ETOT(band)= -0.076451 trlgG= -0.094958 logG= -0.008874 TDE= -0.056596 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005268 tlogG= -0.023845 logG= -0.029113 Density= 0.215316 ETOT(band)= -0.233671 trlgG= -0.294619 logG= -0.029113 TDE= -0.171026 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.024004 logG= -0.028970 logGD-logG0= -0.005107 tlogG= -0.022473 logG= -0.027580 Density= 0.214856 ETOT(band)= -0.231569 trlgG= -0.288385 logG= -0.027580 TDE= -0.170097 Density= 0.321314 ETOT(band)= -0.350964 trlgG= -0.441857 logG= -0.028970 TDE= -0.171142 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023484 logG= -0.028927 Density= 0.215040 ETOT(band)= -0.233237 trlgG= -0.293253 logG= -0.028927 TDE= -0.171082 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.022291 logG= -0.027431 Density= 0.214100 ETOT(band)= -0.232341 trlgG= -0.289779 logG= -0.027431 TDE= -0.170084 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010557 tlogG= -0.045632 logG= -0.056189 Density= 0.323776 ETOT(band)= -0.347815 trlgG= -0.435488 logG= -0.056189 TDE= -0.341289 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.047778 logG= -0.058577 Density= 0.324070 ETOT(band)= -0.349789 trlgG= -0.441546 logG= -0.058577 TDE= -0.342859 logGD-logG0= -0.011080 tlogG= -0.048037 logG= -0.059117 Density= 0.322977 ETOT(band)= -0.350854 trlgG= -0.442883 logG= -0.059117 TDE= -0.342849 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.023885 logG= -0.028992 Density= 0.213626 ETOT(band)= -0.233910 trlgG= -0.293342 logG= -0.028992 TDE= -0.170708 logGD-logG0= -0.005397 tlogG= -0.023758 logG= -0.029156 Density= 0.216092 ETOT(band)= -0.232954 trlgG= -0.293762 logG= -0.029156 TDE= -0.171342 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024161 logG= -0.029399 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.022965 logG= -0.028340 logGD-logG0= -0.005378 tlogG= -0.023953 logG= -0.029330 Density= 0.216200 ETOT(band)= -0.233153 trlgG= -0.294467 logG= -0.029330 TDE= -0.171483 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322178 ETOT(band)= -0.351085 trlgG= -0.442534 logG= -0.029399 TDE= -0.171148 Density= 0.216043 ETOT(band)= -0.231998 trlgG= -0.290937 logG= -0.028340 TDE= -0.170817 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010844 tlogG= -0.047228 logG= -0.058072 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323857 ETOT(band)= -0.349420 trlgG= -0.440196 logG= -0.058072 TDE= -0.342467 logGD-logG0= -0.005516 tlogG= -0.024117 logG= -0.029633 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215536 ETOT(band)= -0.233927 trlgG= -0.295587 logG= -0.029633 TDE= -0.171523 logGD-logG0= -0.010067 tlogG= -0.046603 logG= -0.056671 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322449 ETOT(band)= -0.348875 trlgG= -0.436921 logG= -0.056671 TDE= -0.341445 logGD-logG0= -0.005029 tlogG= -0.023834 logG= -0.028863 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213413 ETOT(band)= -0.234046 trlgG= -0.294080 logG= -0.028863 TDE= -0.170964 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024155 logG= -0.029368 Density= 0.214569 ETOT(band)= -0.234075 trlgG= -0.294872 logG= -0.029368 TDE= -0.171153 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010839 tlogG= -0.046409 logG= -0.057248 Density= 0.323725 ETOT(band)= -0.348761 trlgG= -0.438109 logG= -0.057248 TDE= -0.341911 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.024084 logG= -0.029526 Density= 0.322793 ETOT(band)= -0.351061 trlgG= -0.443185 logG= -0.029526 TDE= -0.171336 logGD-logG0= -0.005548 tlogG= -0.023953 logG= -0.029501 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005564 tlogG= -0.023893 logG= -0.029457 Density= 0.323387 ETOT(band)= -0.350530 trlgG= -0.442630 logG= -0.029501 TDE= -0.171395 Density= 0.215464 ETOT(band)= -0.233673 trlgG= -0.294899 logG= -0.029457 TDE= -0.171347 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.023366 logG= -0.028242 Density= 0.321388 ETOT(band)= -0.349914 trlgG= -0.439276 logG= -0.028242 TDE= -0.170817 logGD-logG0= -0.004845 tlogG= -0.023369 logG= -0.028213 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214021 ETOT(band)= -0.233273 trlgG= -0.292677 logG= -0.028213 TDE= -0.170825 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005626 tlogG= -0.023356 logG= -0.028982 Density= 0.214933 ETOT(band)= -0.233263 trlgG= -0.293057 logG= -0.028982 TDE= -0.170876 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047835 logG= -0.057864 Density= 0.427708 ETOT(band)= -0.467960 trlgG= -0.588531 logG= -0.057864 TDE= -0.342098 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005611 tlogG= -0.023679 logG= -0.029291 logGD-logG0= -0.010700 tlogG= -0.047955 logG= -0.058655 Density= 0.428861 ETOT(band)= -0.468043 trlgG= -0.588944 logG= -0.058655 TDE= -0.341979 Density= 0.215229 ETOT(band)= -0.233524 trlgG= -0.294199 logG= -0.029291 TDE= -0.171169 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009888 tlogG= -0.046604 logG= -0.056492 Density= 0.427774 ETOT(band)= -0.466653 trlgG= -0.585131 logG= -0.056492 TDE= -0.341468 logGD-logG0= -0.009341 tlogG= -0.048096 logG= -0.057437 Density= 0.425233 ETOT(band)= -0.468126 trlgG= -0.587138 logG= -0.057437 TDE= -0.341614 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010532 tlogG= -0.048146 logG= -0.058678 Density= 0.428957 ETOT(band)= -0.468082 trlgG= -0.589304 logG= -0.058678 TDE= -0.342146 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.021301 logG= -0.026399 logGD-logG0= -0.010640 tlogG= -0.047668 logG= -0.058308 Density= 0.162508 ETOT(band)= -0.172924 trlgG= -0.216181 logG= -0.026399 TDE= -0.169800 Density= 0.427959 ETOT(band)= -0.467946 trlgG= -0.587862 logG= -0.058308 TDE= -0.341738 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047655 logG= -0.057684 Density= 0.426357 ETOT(band)= -0.468163 trlgG= -0.587653 logG= -0.057684 TDE= -0.341627 logGD-logG0= -0.005182 tlogG= -0.021350 logG= -0.026532 Density= 0.216834 ETOT(band)= -0.229095 trlgG= -0.284634 logG= -0.026532 TDE= -0.169813 logGD-logG0= -0.011153 tlogG= -0.047684 logG= -0.058837 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430731 ETOT(band)= -0.467295 trlgG= -0.589394 logG= -0.058837 TDE= -0.342602 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009983 tlogG= -0.047773 logG= -0.057757 Density= 0.426858 ETOT(band)= -0.467716 trlgG= -0.586509 logG= -0.057757 TDE= -0.341330 logGD-logG0= -0.010203 tlogG= -0.047851 logG= -0.058055 Density= 0.428796 ETOT(band)= -0.467744 trlgG= -0.588514 logG= -0.058055 TDE= -0.342087 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010873 tlogG= -0.048071 logG= -0.058944 Density= 0.429792 ETOT(band)= -0.467922 trlgG= -0.589742 logG= -0.058944 TDE= -0.342477 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010701 tlogG= -0.046930 logG= -0.057631 Density= 0.429537 ETOT(band)= -0.466290 trlgG= -0.584899 logG= -0.057631 TDE= -0.341447 logGD-logG0= -0.010317 tlogG= -0.046398 logG= -0.056715 logGD-logG0= -0.010385 tlogG= -0.047556 logG= -0.057941 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429197 ETOT(band)= -0.465369 trlgG= -0.582207 logG= -0.056715 TDE= -0.341164 Density= 0.428275 ETOT(band)= -0.467290 trlgG= -0.586905 logG= -0.057941 TDE= -0.341784 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011078 tlogG= -0.048008 logG= -0.059087 Density= 0.430969 ETOT(band)= -0.467579 trlgG= -0.590389 logG= -0.059087 TDE= -0.342867 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.022327 logG= -0.027353 Density= 0.322617 ETOT(band)= -0.347842 trlgG= -0.434529 logG= -0.027353 TDE= -0.170165 logGD-logG0= -0.010626 tlogG= -0.047570 logG= -0.058195 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429662 ETOT(band)= -0.466939 trlgG= -0.586831 logG= -0.058195 TDE= -0.341892 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.021205 logG= -0.026345 Density= 0.216166 ETOT(band)= -0.229952 trlgG= -0.285886 logG= -0.026345 TDE= -0.169719 logGD-logG0= -0.011099 tlogG= -0.047269 logG= -0.058368 Density= 0.430128 ETOT(band)= -0.466923 trlgG= -0.587558 logG= -0.058368 TDE= -0.342111 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009829 tlogG= -0.046714 logG= -0.056543 Density= 0.427575 ETOT(band)= -0.465927 trlgG= -0.582518 logG= -0.056543 TDE= -0.341051 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010349 tlogG= -0.044622 logG= -0.054971 Density= 0.324018 ETOT(band)= -0.346545 trlgG= -0.432478 logG= -0.054971 TDE= -0.340612 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005468 logG= -0.006740 Density= 0.081132 ETOT(band)= -0.086323 trlgG= -0.107501 logG= -0.006740 TDE= -0.042552 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010664 tlogG= -0.048220 logG= -0.058884 Density= 0.429686 ETOT(band)= -0.468091 trlgG= -0.590069 logG= -0.058884 TDE= -0.342352 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011040 tlogG= -0.047731 logG= -0.058771 Density= 0.430394 ETOT(band)= -0.467349 trlgG= -0.589032 logG= -0.058771 TDE= -0.342495 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023245 logG= -0.028466 Density= 0.321451 ETOT(band)= -0.350424 trlgG= -0.440129 logG= -0.028466 TDE= -0.170770 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.044623 logG= -0.054822 Density= 0.431257 ETOT(band)= -0.461903 trlgG= -0.575429 logG= -0.054822 TDE= -0.340250 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005272 tlogG= -0.021878 logG= -0.027150 Density= 0.216443 ETOT(band)= -0.230202 trlgG= -0.286836 logG= -0.027150 TDE= -0.170144 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.691342440051 eV TrLogG= -407.630470748363 eV Ratio to renormalize= 1.000829825310 rho-rho_expected=-0.018241019956 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964497194306240 0.940092988118745 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002424 tlogG= -0.011883 logG= -0.014307 Density= 0.053520 ETOT(band)= -0.058376 trlgG= -0.073348 logG= -0.014307 TDE= -0.085526 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.024047 logG= -0.028788 Density= 0.106312 ETOT(band)= -0.117098 trlgG= -0.146963 logG= -0.028788 TDE= -0.170784 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.022169 logG= -0.027319 Density= 0.108267 ETOT(band)= -0.115387 trlgG= -0.144127 logG= -0.027319 TDE= -0.170384 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.023214 logG= -0.028509 Density= 0.108102 ETOT(band)= -0.116160 trlgG= -0.146038 logG= -0.028509 TDE= -0.171022 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023646 logG= -0.028839 Density= 0.106897 ETOT(band)= -0.116880 trlgG= -0.146459 logG= -0.028839 TDE= -0.170518 logGD-logG0= -0.005081 tlogG= -0.024067 logG= -0.029148 Density= 0.106973 ETOT(band)= -0.117045 trlgG= -0.147330 logG= -0.029148 TDE= -0.171118 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.022876 logG= -0.028183 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.023685 logG= -0.028592 Density= 0.106895 ETOT(band)= -0.116790 trlgG= -0.146652 logG= -0.028592 TDE= -0.170956 Density= 0.107530 ETOT(band)= -0.116250 trlgG= -0.145506 logG= -0.028183 TDE= -0.170534 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000204 tlogG= -0.000853 logG= -0.001056 Density= 0.004539 ETOT(band)= -0.004731 trlgG= -0.005860 logG= -0.001056 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002520 tlogG= -0.012081 logG= -0.014601 Density= 0.053542 ETOT(band)= -0.058520 trlgG= -0.073711 logG= -0.014601 TDE= -0.085605 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002702 tlogG= -0.012032 logG= -0.014734 Density= 0.053719 ETOT(band)= -0.058511 trlgG= -0.073768 logG= -0.014734 TDE= -0.085617 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002431 tlogG= -0.011447 logG= -0.013878 Density= 0.053695 ETOT(band)= -0.058046 trlgG= -0.072584 logG= -0.013878 TDE= -0.085277 logGD-logG0= -0.001551 tlogG= -0.007811 logG= -0.009362 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035467 ETOT(band)= -0.038906 trlgG= -0.048661 logG= -0.009362 TDE= -0.056850 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002659 tlogG= -0.011982 logG= -0.014642 Density= 0.054090 ETOT(band)= -0.058275 trlgG= -0.073634 logG= -0.014642 TDE= -0.085758 logGD-logG0= -0.005351 tlogG= -0.023761 logG= -0.029112 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005345 tlogG= -0.023428 logG= -0.028773 Density= 0.108038 ETOT(band)= -0.116336 trlgG= -0.146456 logG= -0.028773 TDE= -0.171146 logGD-logG0= -0.004518 tlogG= -0.024051 logG= -0.028569 Density= 0.106045 ETOT(band)= -0.117107 trlgG= -0.146950 logG= -0.028569 TDE= -0.170857 Density= 0.108084 ETOT(band)= -0.116499 trlgG= -0.146993 logG= -0.029112 TDE= -0.171366 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.022456 logG= -0.027689 Density= 0.108112 ETOT(band)= -0.115692 trlgG= -0.144734 logG= -0.027689 TDE= -0.170544 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.023947 logG= -0.029285 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108134 ETOT(band)= -0.116574 trlgG= -0.147272 logG= -0.029285 TDE= -0.171496 logGD-logG0= -0.005303 tlogG= -0.022981 logG= -0.028283 Density= 0.108044 ETOT(band)= -0.116065 trlgG= -0.145681 logG= -0.028283 TDE= -0.170864 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023974 logG= -0.028519 Density= 0.106096 ETOT(band)= -0.117064 trlgG= -0.146837 logG= -0.028519 TDE= -0.170820 logGD-logG0= -0.005477 tlogG= -0.024072 logG= -0.029549 logGD-logG0= -0.004818 tlogG= -0.023205 logG= -0.028023 Density= 0.106659 ETOT(band)= -0.116568 trlgG= -0.145631 logG= -0.028023 TDE= -0.170389 Density= 0.107553 ETOT(band)= -0.117023 trlgG= -0.147683 logG= -0.029549 TDE= -0.171356 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001471 tlogG= -0.008044 logG= -0.009515 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.022850 logG= -0.027909 logGD-logG0= -0.005028 tlogG= -0.023688 logG= -0.028716 Density= 0.107293 ETOT(band)= -0.116674 trlgG= -0.146564 logG= -0.028716 TDE= -0.170943 logGD-logG0= -0.005485 tlogG= -0.023683 logG= -0.029169 Density= 0.107661 ETOT(band)= -0.116045 trlgG= -0.145096 logG= -0.027909 TDE= -0.170463 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107147 ETOT(band)= -0.116954 trlgG= -0.147011 logG= -0.029169 TDE= -0.170864 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.024092 logG= -0.029285 Density= 0.107293 ETOT(band)= -0.116986 trlgG= -0.147307 logG= -0.029285 TDE= -0.171117 Density= 0.035290 ETOT(band)= -0.039057 trlgG= -0.049025 logG= -0.009515 TDE= -0.056973 logGD-logG0= -0.005327 tlogG= -0.023603 logG= -0.028930 Density= 0.108110 ETOT(band)= -0.116384 trlgG= -0.146701 logG= -0.028930 TDE= -0.171270 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002729 tlogG= -0.011986 logG= -0.014715 Density= 0.053937 ETOT(band)= -0.058395 trlgG= -0.073754 logG= -0.014715 TDE= -0.085730 logGD-logG0= -0.005524 tlogG= -0.024129 logG= -0.029653 logGD-logG0= -0.005325 tlogG= -0.023869 logG= -0.029194 logGD-logG0= -0.005491 tlogG= -0.024083 logG= -0.029574 Density= 0.107796 ETOT(band)= -0.116932 trlgG= -0.147748 logG= -0.029574 TDE= -0.171517 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107720 ETOT(band)= -0.117020 trlgG= -0.147873 logG= -0.029653 TDE= -0.171525 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108154 ETOT(band)= -0.116510 trlgG= -0.147123 logG= -0.029194 TDE= -0.171449 logGD-logG0= -0.005509 tlogG= -0.023903 logG= -0.029412 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107662 ETOT(band)= -0.116890 trlgG= -0.147468 logG= -0.029412 TDE= -0.171332 logGD-logG0= -0.005208 tlogG= -0.022408 logG= -0.027616 Density= 0.107549 ETOT(band)= -0.115915 trlgG= -0.144609 logG= -0.027616 TDE= -0.170214 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005747 logG= -0.007054 Density= 0.080572 ETOT(band)= -0.087363 trlgG= -0.109742 logG= -0.007054 TDE= -0.042726 logGD-logG0= -0.005229 tlogG= -0.022732 logG= -0.027962 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108157 ETOT(band)= -0.115829 trlgG= -0.145171 logG= -0.027962 TDE= -0.170730 logGD-logG0= -0.005098 tlogG= -0.023896 logG= -0.028994 Density= 0.106677 ETOT(band)= -0.117062 trlgG= -0.147073 logG= -0.028994 TDE= -0.170868 logGD-logG0= -0.004875 tlogG= -0.023670 logG= -0.028545 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106521 ETOT(band)= -0.116905 trlgG= -0.146544 logG= -0.028545 TDE= -0.170711 logGD-logG0= -0.004904 tlogG= -0.022990 logG= -0.027894 Density= 0.106794 ETOT(band)= -0.116437 trlgG= -0.145368 logG= -0.027894 TDE= -0.170321 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023501 logG= -0.028431 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106695 ETOT(band)= -0.116760 trlgG= -0.146118 logG= -0.028431 TDE= -0.170486 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005428 tlogG= -0.023967 logG= -0.029395 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107357 ETOT(band)= -0.117008 trlgG= -0.147408 logG= -0.029395 TDE= -0.171138 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005498 tlogG= -0.023198 logG= -0.028696 Density= 0.107595 ETOT(band)= -0.116499 trlgG= -0.146316 logG= -0.028696 TDE= -0.170864 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005476 tlogG= -0.023866 logG= -0.029343 Density= 0.107824 ETOT(band)= -0.116759 trlgG= -0.147363 logG= -0.029343 TDE= -0.171377 logGD-logG0= -0.004937 tlogG= -0.022851 logG= -0.027788 Density= 0.107215 ETOT(band)= -0.116187 trlgG= -0.145219 logG= -0.027788 TDE= -0.170486 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010183 tlogG= -0.048242 logG= -0.058425 Density= 0.214233 ETOT(band)= -0.234051 trlgG= -0.294738 logG= -0.058425 TDE= -0.342327 logGD-logG0= -0.005513 tlogG= -0.023576 logG= -0.029089 Density= 0.107710 ETOT(band)= -0.116662 trlgG= -0.146947 logG= -0.029089 TDE= -0.171158 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010048 tlogG= -0.047156 logG= -0.057204 Density= 0.213607 ETOT(band)= -0.233638 trlgG= -0.293155 logG= -0.057204 TDE= -0.341654 logGD-logG0= -0.009864 tlogG= -0.045759 logG= -0.055624 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214850 ETOT(band)= -0.232210 trlgG= -0.290343 logG= -0.055624 TDE= -0.341038 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009501 tlogG= -0.047633 logG= -0.057133 Density= 0.212774 ETOT(band)= -0.233932 trlgG= -0.293226 logG= -0.057133 TDE= -0.341384 logGD-logG0= -0.009928 tlogG= -0.047936 logG= -0.057864 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010903 tlogG= -0.047747 logG= -0.058650 logGD-logG0= -0.010329 tlogG= -0.047898 logG= -0.058227 Density= 0.213805 ETOT(band)= -0.234086 trlgG= -0.294423 logG= -0.058227 TDE= -0.341997 Density= 0.213116 ETOT(band)= -0.234145 trlgG= -0.293869 logG= -0.057864 TDE= -0.341465 Density= 0.214585 ETOT(band)= -0.233978 trlgG= -0.294567 logG= -0.058650 TDE= -0.342105 logGD-logG0= -0.010858 tlogG= -0.048082 logG= -0.058940 Density= 0.214896 ETOT(band)= -0.234033 trlgG= -0.295080 logG= -0.058940 TDE= -0.342481 logGD-logG0= -0.010200 tlogG= -0.047160 logG= -0.057360 logGD-logG0= -0.010144 tlogG= -0.045588 logG= -0.055732 Density= 0.214202 ETOT(band)= -0.232556 trlgG= -0.290516 logG= -0.055732 TDE= -0.340781 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213618 ETOT(band)= -0.233683 trlgG= -0.292948 logG= -0.057360 TDE= -0.341296 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.047981 logG= -0.058687 Density= 0.214899 ETOT(band)= -0.233888 trlgG= -0.294664 logG= -0.058687 TDE= -0.342320 logGD-logG0= -0.010768 tlogG= -0.047787 logG= -0.058554 logGD-logG0= -0.005466 tlogG= -0.024054 logG= -0.029520 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214486 ETOT(band)= -0.233971 trlgG= -0.294397 logG= -0.058554 TDE= -0.341981 Density= 0.107855 ETOT(band)= -0.116865 trlgG= -0.147660 logG= -0.029520 TDE= -0.171511 logGD-logG0= -0.010452 tlogG= -0.048028 logG= -0.058480 Density= 0.214362 ETOT(band)= -0.233999 trlgG= -0.294489 logG= -0.058480 TDE= -0.342086 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010939 tlogG= -0.048017 logG= -0.058955 Density= 0.214932 ETOT(band)= -0.234025 trlgG= -0.295108 logG= -0.058955 TDE= -0.342512 logGD-logG0= -0.010565 tlogG= -0.047662 logG= -0.058227 Density= 0.213786 ETOT(band)= -0.234073 trlgG= -0.294175 logG= -0.058227 TDE= -0.341740 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023973 logG= -0.028742 Density= 0.212657 ETOT(band)= -0.234167 trlgG= -0.293831 logG= -0.028742 TDE= -0.170751 logGD-logG0= -0.001689 tlogG= -0.006992 logG= -0.008680 Density= 0.036165 ETOT(band)= -0.038113 trlgG= -0.047306 logG= -0.008680 TDE= -0.056522 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009820 tlogG= -0.047445 logG= -0.057265 Density= 0.214147 ETOT(band)= -0.233472 trlgG= -0.293289 logG= -0.057265 TDE= -0.341994 logGD-logG0= -0.011003 tlogG= -0.047522 logG= -0.058524 logGD-logG0= -0.010248 tlogG= -0.045650 logG= -0.055897 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215520 ETOT(band)= -0.233484 trlgG= -0.294456 logG= -0.058524 TDE= -0.342582 Density= 0.214981 ETOT(band)= -0.232287 trlgG= -0.290336 logG= -0.055897 TDE= -0.340822 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001755 tlogG= -0.007305 logG= -0.009059 logGD-logG0= -0.010788 tlogG= -0.047315 logG= -0.058103 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010929 tlogG= -0.047934 logG= -0.058863 Density= 0.215713 ETOT(band)= -0.233602 trlgG= -0.295020 logG= -0.058863 TDE= -0.342903 logGD-logG0= -0.005310 tlogG= -0.022439 logG= -0.027749 Density= 0.214096 ETOT(band)= -0.233868 trlgG= -0.293650 logG= -0.058103 TDE= -0.341493 Density= 0.216190 ETOT(band)= -0.231201 trlgG= -0.288955 logG= -0.027749 TDE= -0.170485 logGD-logG0= -0.005403 tlogG= -0.023412 logG= -0.028815 Density= 0.216015 ETOT(band)= -0.232575 trlgG= -0.292557 logG= -0.028815 TDE= -0.171105 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035816 ETOT(band)= -0.038560 trlgG= -0.047965 logG= -0.009059 TDE= -0.056629 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.024005 logG= -0.028939 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002560 tlogG= -0.010841 logG= -0.013401 logGD-logG0= -0.010984 tlogG= -0.047883 logG= -0.058866 logGD-logG0= -0.002499 tlogG= -0.010426 logG= -0.012926 Density= 0.054330 ETOT(band)= -0.057052 trlgG= -0.070782 logG= -0.012926 TDE= -0.084742 Density= 0.054018 ETOT(band)= -0.057567 trlgG= -0.071626 logG= -0.013401 TDE= -0.084956 logGD-logG0= -0.011051 tlogG= -0.048149 logG= -0.059199 logGD-logG0= -0.010957 tlogG= -0.047426 logG= -0.058383 Density= 0.215586 ETOT(band)= -0.233673 trlgG= -0.295021 logG= -0.058866 TDE= -0.342838 Density= 0.213956 ETOT(band)= -0.233991 trlgG= -0.294476 logG= -0.028939 TDE= -0.171148 Density= 0.215290 ETOT(band)= -0.233523 trlgG= -0.294214 logG= -0.058383 TDE= -0.342367 Density= 0.215245 ETOT(band)= -0.234052 trlgG= -0.295547 logG= -0.059199 TDE= -0.342862 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010561 tlogG= -0.046414 logG= -0.056975 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215043 ETOT(band)= -0.232852 trlgG= -0.291967 logG= -0.056975 TDE= -0.341406 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010999 tlogG= -0.046883 logG= -0.057882 Density= 0.215253 ETOT(band)= -0.233245 trlgG= -0.293413 logG= -0.057882 TDE= -0.342049 logGD-logG0= -0.010174 tlogG= -0.047223 logG= -0.057398 logGD-logG0= -0.004844 tlogG= -0.023369 logG= -0.028214 Density= 0.214311 ETOT(band)= -0.233435 trlgG= -0.293064 logG= -0.057398 TDE= -0.341718 Density= 0.214022 ETOT(band)= -0.233276 trlgG= -0.292680 logG= -0.028214 TDE= -0.170826 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.023197 logG= -0.028556 Density= 0.214700 ETOT(band)= -0.232863 trlgG= -0.291563 logG= -0.028556 TDE= -0.170534 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.047154 logG= -0.057628 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214978 ETOT(band)= -0.233254 trlgG= -0.292985 logG= -0.057628 TDE= -0.341739 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.023886 logG= -0.028992 Density= 0.213627 ETOT(band)= -0.233912 trlgG= -0.293345 logG= -0.028992 TDE= -0.170710 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.021564 logG= -0.026662 Density= 0.108420 ETOT(band)= -0.114836 trlgG= -0.142999 logG= -0.026662 TDE= -0.169989 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005184 tlogG= -0.021874 logG= -0.027059 Density= 0.108231 ETOT(band)= -0.115202 trlgG= -0.143678 logG= -0.027059 TDE= -0.170177 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005016 tlogG= -0.020989 logG= -0.026006 Density= 0.108615 ETOT(band)= -0.114249 trlgG= -0.141843 logG= -0.026006 TDE= -0.169586 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005205 tlogG= -0.021694 logG= -0.026899 Density= 0.107844 ETOT(band)= -0.115296 trlgG= -0.143426 logG= -0.026899 TDE= -0.169894 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010403 tlogG= -0.043390 logG= -0.053792 Density= 0.216099 ETOT(band)= -0.230384 trlgG= -0.286832 logG= -0.053792 TDE= -0.339976 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005264 tlogG= -0.021817 logG= -0.027081 Density= 0.107703 ETOT(band)= -0.115488 trlgG= -0.143735 logG= -0.027081 TDE= -0.169950 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001645 tlogG= -0.006874 logG= -0.008519 Density= 0.040812 ETOT(band)= -0.042659 trlgG= -0.052865 logG= -0.008519 TDE= -0.056436 logGD-logG0= -0.004680 tlogG= -0.023586 logG= -0.028266 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212472 ETOT(band)= -0.233886 trlgG= -0.293076 logG= -0.028266 TDE= -0.170614 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023891 logG= -0.028685 Density= 0.213127 ETOT(band)= -0.233760 trlgG= -0.292838 logG= -0.028685 TDE= -0.170703 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022907 logG= -0.028064 Density= 0.214632 ETOT(band)= -0.232307 trlgG= -0.290033 logG= -0.028064 TDE= -0.170350 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005307 logG= -0.006560 Density= 0.081487 ETOT(band)= -0.085657 trlgG= -0.106345 logG= -0.006560 TDE= -0.042441 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001757 tlogG= -0.007116 logG= -0.008874 Density= 0.072169 ETOT(band)= -0.076452 trlgG= -0.094959 logG= -0.008874 TDE= -0.056596 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005272 tlogG= -0.021879 logG= -0.027150 Density= 0.216444 ETOT(band)= -0.230204 trlgG= -0.286839 logG= -0.027150 TDE= -0.170146 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005140 tlogG= -0.021205 logG= -0.026345 Density= 0.216167 ETOT(band)= -0.229954 trlgG= -0.285889 logG= -0.026345 TDE= -0.169721 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001497 tlogG= -0.007965 logG= -0.009462 Density= 0.070818 ETOT(band)= -0.077914 trlgG= -0.097565 logG= -0.009462 TDE= -0.056935 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004492 tlogG= -0.024131 logG= -0.028623 Density= 0.212028 ETOT(band)= -0.234264 trlgG= -0.294023 logG= -0.028623 TDE= -0.170896 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001326 tlogG= -0.005938 logG= -0.007265 Density= 0.080764 ETOT(band)= -0.087616 trlgG= -0.110494 logG= -0.007265 TDE= -0.042845 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001322 tlogG= -0.005855 logG= -0.007177 Density= 0.080583 ETOT(band)= -0.087579 trlgG= -0.110298 logG= -0.007177 TDE= -0.042791 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023740 logG= -0.028364 Density= 0.212937 ETOT(band)= -0.233481 trlgG= -0.292103 logG= -0.028364 TDE= -0.170698 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001286 tlogG= -0.005619 logG= -0.006905 Density= 0.080773 ETOT(band)= -0.086935 trlgG= -0.108739 logG= -0.006905 TDE= -0.042650 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005983 logG= -0.007308 Density= 0.080991 ETOT(band)= -0.087520 trlgG= -0.110549 logG= -0.007308 TDE= -0.042875 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.023998 logG= -0.029419 logGD-logG0= -0.005455 tlogG= -0.023796 logG= -0.029251 Density= 0.215157 ETOT(band)= -0.233676 trlgG= -0.294522 logG= -0.029251 TDE= -0.171341 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215505 ETOT(band)= -0.233773 trlgG= -0.295175 logG= -0.029419 TDE= -0.171493 logGD-logG0= -0.005443 tlogG= -0.023484 logG= -0.028927 logGD-logG0= -0.001636 tlogG= -0.007588 logG= -0.009224 Density= 0.071443 ETOT(band)= -0.077315 trlgG= -0.096269 logG= -0.009224 TDE= -0.056710 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215041 ETOT(band)= -0.233239 trlgG= -0.293257 logG= -0.028927 TDE= -0.171084 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.023996 logG= -0.029381 Density= 0.216168 ETOT(band)= -0.233259 trlgG= -0.294703 logG= -0.029381 TDE= -0.171511 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023956 logG= -0.029228 logGD-logG0= -0.005516 tlogG= -0.024118 logG= -0.029633 Density= 0.214173 ETOT(band)= -0.234002 trlgG= -0.294257 logG= -0.029228 TDE= -0.170981 Density= 0.215537 ETOT(band)= -0.233929 trlgG= -0.295590 logG= -0.029633 TDE= -0.171525 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.024005 logG= -0.028971 Density= 0.321315 ETOT(band)= -0.350968 trlgG= -0.441862 logG= -0.028971 TDE= -0.171143 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010798 tlogG= -0.047780 logG= -0.058578 Density= 0.324072 ETOT(band)= -0.349793 trlgG= -0.441551 logG= -0.058578 TDE= -0.342862 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024162 logG= -0.029399 Density= 0.322180 ETOT(band)= -0.351089 trlgG= -0.442540 logG= -0.029399 TDE= -0.171150 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005377 tlogG= -0.023953 logG= -0.029331 Density= 0.216202 ETOT(band)= -0.233155 trlgG= -0.294471 logG= -0.029331 TDE= -0.171484 logGD-logG0= -0.005397 tlogG= -0.023759 logG= -0.029156 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216093 ETOT(band)= -0.232956 trlgG= -0.293765 logG= -0.029156 TDE= -0.171343 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010844 tlogG= -0.047229 logG= -0.058073 Density= 0.323858 ETOT(band)= -0.349423 trlgG= -0.440201 logG= -0.058073 TDE= -0.342471 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.023845 logG= -0.029113 logGD-logG0= -0.010557 tlogG= -0.045633 logG= -0.056189 Density= 0.215317 ETOT(band)= -0.233673 trlgG= -0.294623 logG= -0.029113 TDE= -0.171028 Density= 0.323778 ETOT(band)= -0.347818 trlgG= -0.435493 logG= -0.056189 TDE= -0.341292 logGD-logG0= -0.005374 tlogG= -0.022966 logG= -0.028340 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011080 tlogG= -0.048038 logG= -0.059118 Density= 0.322979 ETOT(band)= -0.350858 trlgG= -0.442888 logG= -0.059118 TDE= -0.342852 Density= 0.216044 ETOT(band)= -0.232000 trlgG= -0.290941 logG= -0.028340 TDE= -0.170818 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.024085 logG= -0.029526 Density= 0.322795 ETOT(band)= -0.351065 trlgG= -0.443191 logG= -0.029526 TDE= -0.171338 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010067 tlogG= -0.046604 logG= -0.056671 logGD-logG0= -0.005029 tlogG= -0.023834 logG= -0.028863 Density= 0.322450 ETOT(band)= -0.348878 trlgG= -0.436927 logG= -0.056671 TDE= -0.341448 Density= 0.213414 ETOT(band)= -0.234049 trlgG= -0.294083 logG= -0.028863 TDE= -0.170966 logGD-logG0= -0.005221 tlogG= -0.023245 logG= -0.028466 Density= 0.321452 ETOT(band)= -0.350428 trlgG= -0.440134 logG= -0.028466 TDE= -0.170771 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023243 logG= -0.028218 logGD-logG0= -0.010838 tlogG= -0.046410 logG= -0.057249 logGD-logG0= -0.005563 tlogG= -0.023894 logG= -0.029457 Density= 0.323727 ETOT(band)= -0.348764 trlgG= -0.438113 logG= -0.057249 TDE= -0.341914 Density= 0.213344 ETOT(band)= -0.233514 trlgG= -0.292563 logG= -0.028218 TDE= -0.170662 Density= 0.215465 ETOT(band)= -0.233675 trlgG= -0.294902 logG= -0.029457 TDE= -0.171349 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.023366 logG= -0.028243 Density= 0.321389 ETOT(band)= -0.349918 trlgG= -0.439281 logG= -0.028243 TDE= -0.170819 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005611 tlogG= -0.023680 logG= -0.029291 Density= 0.215230 ETOT(band)= -0.233526 trlgG= -0.294203 logG= -0.029291 TDE= -0.171171 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005171 logG= -0.006406 Density= 0.062493 ETOT(band)= -0.067516 trlgG= -0.084309 logG= -0.006406 TDE= -0.042340 logGD-logG0= -0.005548 tlogG= -0.023953 logG= -0.029501 Density= 0.323388 ETOT(band)= -0.350534 trlgG= -0.442635 logG= -0.029501 TDE= -0.171397 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005626 tlogG= -0.023357 logG= -0.028983 logGD-logG0= -0.005212 tlogG= -0.024156 logG= -0.029368 Density= 0.214934 ETOT(band)= -0.233266 trlgG= -0.293060 logG= -0.028983 TDE= -0.170878 logGD-logG0= -0.009341 tlogG= -0.048097 logG= -0.057438 Density= 0.425235 ETOT(band)= -0.468131 trlgG= -0.587145 logG= -0.057438 TDE= -0.341618 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214570 ETOT(band)= -0.234077 trlgG= -0.294876 logG= -0.029368 TDE= -0.171154 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009888 tlogG= -0.046605 logG= -0.056493 logGD-logG0= -0.005140 tlogG= -0.022291 logG= -0.027431 Density= 0.214101 ETOT(band)= -0.232344 trlgG= -0.289783 logG= -0.027431 TDE= -0.170085 Density= 0.427775 ETOT(band)= -0.466658 trlgG= -0.585138 logG= -0.056493 TDE= -0.341471 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010700 tlogG= -0.047956 logG= -0.058656 Density= 0.428863 ETOT(band)= -0.468048 trlgG= -0.588951 logG= -0.058656 TDE= -0.341983 logGD-logG0= -0.010028 tlogG= -0.047837 logG= -0.057865 logGD-logG0= -0.010532 tlogG= -0.048147 logG= -0.058678 Density= 0.428959 ETOT(band)= -0.468087 trlgG= -0.589312 logG= -0.058678 TDE= -0.342149 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427710 ETOT(band)= -0.467965 trlgG= -0.588538 logG= -0.057865 TDE= -0.342101 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009828 tlogG= -0.046715 logG= -0.056543 Density= 0.427576 ETOT(band)= -0.465932 trlgG= -0.582525 logG= -0.056543 TDE= -0.341054 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010203 tlogG= -0.047852 logG= -0.058055 Density= 0.428797 ETOT(band)= -0.467749 trlgG= -0.588521 logG= -0.058055 TDE= -0.342090 logGD-logG0= -0.010639 tlogG= -0.047669 logG= -0.058308 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427960 ETOT(band)= -0.467952 trlgG= -0.587869 logG= -0.058308 TDE= -0.341742 logGD-logG0= -0.010664 tlogG= -0.048221 logG= -0.058885 Density= 0.429688 ETOT(band)= -0.468096 trlgG= -0.590076 logG= -0.058885 TDE= -0.342355 logGD-logG0= -0.011152 tlogG= -0.047685 logG= -0.058837 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047655 logG= -0.057684 Density= 0.430733 ETOT(band)= -0.467300 trlgG= -0.589401 logG= -0.058837 TDE= -0.342606 logGD-logG0= -0.005099 tlogG= -0.021301 logG= -0.026400 Density= 0.162509 ETOT(band)= -0.172926 trlgG= -0.216184 logG= -0.026400 TDE= -0.169801 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426359 ETOT(band)= -0.468168 trlgG= -0.587661 logG= -0.057684 TDE= -0.341631 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010873 tlogG= -0.048072 logG= -0.058945 logGD-logG0= -0.011039 tlogG= -0.047732 logG= -0.058771 Density= 0.429794 ETOT(band)= -0.467927 trlgG= -0.589749 logG= -0.058945 TDE= -0.342481 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430396 ETOT(band)= -0.467354 trlgG= -0.589039 logG= -0.058771 TDE= -0.342498 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009983 tlogG= -0.047774 logG= -0.057757 Density= 0.426859 ETOT(band)= -0.467721 trlgG= -0.586516 logG= -0.057757 TDE= -0.341333 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010316 tlogG= -0.046399 logG= -0.056715 Density= 0.429198 ETOT(band)= -0.465374 trlgG= -0.582214 logG= -0.056715 TDE= -0.341168 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011077 tlogG= -0.048010 logG= -0.059087 Density= 0.430971 ETOT(band)= -0.467584 trlgG= -0.590396 logG= -0.059087 TDE= -0.342870 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010384 tlogG= -0.047557 logG= -0.057941 Density= 0.428277 ETOT(band)= -0.467296 trlgG= -0.586912 logG= -0.057941 TDE= -0.341787 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010700 tlogG= -0.046931 logG= -0.057631 Density= 0.429538 ETOT(band)= -0.466295 trlgG= -0.584906 logG= -0.057631 TDE= -0.341451 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010625 tlogG= -0.047571 logG= -0.058196 Density= 0.429664 ETOT(band)= -0.466944 trlgG= -0.586838 logG= -0.058196 TDE= -0.341895 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011099 tlogG= -0.047270 logG= -0.058369 Density= 0.430130 ETOT(band)= -0.466927 trlgG= -0.587565 logG= -0.058369 TDE= -0.342115 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.022327 logG= -0.027353 Density= 0.322618 ETOT(band)= -0.347846 trlgG= -0.434534 logG= -0.027353 TDE= -0.170167 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005468 logG= -0.006740 Density= 0.081132 ETOT(band)= -0.086323 trlgG= -0.107502 logG= -0.006740 TDE= -0.042552 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005182 tlogG= -0.021350 logG= -0.026532 Density= 0.216835 ETOT(band)= -0.229097 trlgG= -0.284636 logG= -0.026532 TDE= -0.169814 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010348 tlogG= -0.044623 logG= -0.054972 Density= 0.324020 ETOT(band)= -0.346548 trlgG= -0.432482 logG= -0.054972 TDE= -0.340616 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.022474 logG= -0.027580 Density= 0.214857 ETOT(band)= -0.231571 trlgG= -0.288388 logG= -0.027580 TDE= -0.170098 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.022326 logG= -0.027312 Density= 0.214861 ETOT(band)= -0.231861 trlgG= -0.289435 logG= -0.027312 TDE= -0.170173 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010199 tlogG= -0.044624 logG= -0.054823 Density= 0.431259 ETOT(band)= -0.461908 trlgG= -0.575435 logG= -0.054823 TDE= -0.340253 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.694745640735 eV TrLogG= -407.635923093161 eV Ratio to renormalize= 1.000825567078 rho-rho_expected=-0.018147493751 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 59) Finished k-point number 120 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964541909479300 0.940179243245049 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000204 tlogG= -0.000853 logG= -0.001056 Density= 0.004539 ETOT(band)= -0.004732 trlgG= -0.005860 logG= -0.001056 TDE= -0.007050 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002519 tlogG= -0.012085 logG= -0.014604 Density= 0.053545 ETOT(band)= -0.058528 trlgG= -0.073722 logG= -0.014604 TDE= -0.085615 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002701 tlogG= -0.012035 logG= -0.014736 Density= 0.053722 ETOT(band)= -0.058518 trlgG= -0.073779 logG= -0.014736 TDE= -0.085627 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002423 tlogG= -0.011886 logG= -0.014309 logGD-logG0= -0.002429 tlogG= -0.011451 logG= -0.013880 Density= 0.053697 ETOT(band)= -0.058053 trlgG= -0.072595 logG= -0.013880 TDE= -0.085287 Density= 0.053523 ETOT(band)= -0.058384 trlgG= -0.073359 logG= -0.014309 TDE= -0.085536 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001470 tlogG= -0.008046 logG= -0.009516 Density= 0.035291 ETOT(band)= -0.039062 trlgG= -0.049033 logG= -0.009516 TDE= -0.056980 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023769 logG= -0.029116 Density= 0.108090 ETOT(band)= -0.116513 trlgG= -0.147014 logG= -0.029116 TDE= -0.171387 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.022463 logG= -0.027693 Density= 0.108118 ETOT(band)= -0.115707 trlgG= -0.144755 logG= -0.027693 TDE= -0.170564 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001550 tlogG= -0.007813 logG= -0.009364 logGD-logG0= -0.002657 tlogG= -0.011986 logG= -0.014644 Density= 0.054093 ETOT(band)= -0.058282 trlgG= -0.073644 logG= -0.014644 TDE= -0.085769 Density= 0.035469 ETOT(band)= -0.038912 trlgG= -0.048669 logG= -0.009364 TDE= -0.056857 logGD-logG0= -0.005475 tlogG= -0.024078 logG= -0.029554 logGD-logG0= -0.005299 tlogG= -0.022988 logG= -0.028287 Density= 0.107559 ETOT(band)= -0.117038 trlgG= -0.147705 logG= -0.029554 TDE= -0.171377 Density= 0.108049 ETOT(band)= -0.116080 trlgG= -0.145703 logG= -0.028287 TDE= -0.170884 logGD-logG0= -0.005342 tlogG= -0.023436 logG= -0.028777 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108044 ETOT(band)= -0.116351 trlgG= -0.146478 logG= -0.028777 TDE= -0.171166 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.024053 logG= -0.028792 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106316 ETOT(band)= -0.117115 trlgG= -0.146986 logG= -0.028792 TDE= -0.170804 logGD-logG0= -0.005146 tlogG= -0.022176 logG= -0.027322 Density= 0.108273 ETOT(band)= -0.115401 trlgG= -0.144147 logG= -0.027322 TDE= -0.170404 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005487 tlogG= -0.024091 logG= -0.029579 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107802 ETOT(band)= -0.116947 trlgG= -0.147770 logG= -0.029579 TDE= -0.171538 logGD-logG0= -0.005334 tlogG= -0.023955 logG= -0.029289 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108140 ETOT(band)= -0.116589 trlgG= -0.147293 logG= -0.029289 TDE= -0.171517 logGD-logG0= -0.004816 tlogG= -0.023211 logG= -0.028027 Density= 0.106663 ETOT(band)= -0.116584 trlgG= -0.145654 logG= -0.028027 TDE= -0.170409 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002727 tlogG= -0.011990 logG= -0.014717 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023694 logG= -0.028720 Density= 0.107299 ETOT(band)= -0.116690 trlgG= -0.146586 logG= -0.028720 TDE= -0.170963 logGD-logG0= -0.005321 tlogG= -0.023876 logG= -0.029198 Density= 0.053940 ETOT(band)= -0.058402 trlgG= -0.073764 logG= -0.014717 TDE= -0.085740 Density= 0.108161 ETOT(band)= -0.116524 trlgG= -0.147144 logG= -0.029198 TDE= -0.171469 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004517 tlogG= -0.024057 logG= -0.028574 logGD-logG0= -0.005190 tlogG= -0.024099 logG= -0.029289 logGD-logG0= -0.005292 tlogG= -0.023221 logG= -0.028513 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108108 ETOT(band)= -0.116174 trlgG= -0.146059 logG= -0.028513 TDE= -0.171042 Density= 0.107299 ETOT(band)= -0.117001 trlgG= -0.147329 logG= -0.029289 TDE= -0.171137 logGD-logG0= -0.004874 tlogG= -0.023676 logG= -0.028550 logGD-logG0= -0.005324 tlogG= -0.023610 logG= -0.028934 logGD-logG0= -0.005426 tlogG= -0.023973 logG= -0.029399 Density= 0.107363 ETOT(band)= -0.117023 trlgG= -0.147430 logG= -0.029399 TDE= -0.171159 logGD-logG0= -0.005521 tlogG= -0.024137 logG= -0.029658 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107726 ETOT(band)= -0.117035 trlgG= -0.147895 logG= -0.029658 TDE= -0.171546 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108116 ETOT(band)= -0.116398 trlgG= -0.146723 logG= -0.028934 TDE= -0.171290 logGD-logG0= -0.004902 tlogG= -0.022996 logG= -0.027898 Density= 0.106798 ETOT(band)= -0.116453 trlgG= -0.145390 logG= -0.027898 TDE= -0.170342 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023690 logG= -0.029173 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106525 ETOT(band)= -0.116921 trlgG= -0.146567 logG= -0.028550 TDE= -0.170731 logGD-logG0= -0.004928 tlogG= -0.023507 logG= -0.028435 Density= 0.106699 ETOT(band)= -0.116776 trlgG= -0.146141 logG= -0.028435 TDE= -0.170506 Density= 0.107152 ETOT(band)= -0.116969 trlgG= -0.147034 logG= -0.029173 TDE= -0.170885 logGD-logG0= -0.005205 tlogG= -0.022415 logG= -0.027620 Density= 0.107554 ETOT(band)= -0.115931 trlgG= -0.144631 logG= -0.027620 TDE= -0.170234 logGD-logG0= -0.005192 tlogG= -0.023651 logG= -0.028843 Density= 0.106901 ETOT(band)= -0.116896 trlgG= -0.146482 logG= -0.028843 TDE= -0.170539 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005057 tlogG= -0.022856 logG= -0.027914 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107666 ETOT(band)= -0.116060 trlgG= -0.145118 logG= -0.027914 TDE= -0.170482 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005507 tlogG= -0.023910 logG= -0.029417 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.024075 logG= -0.029153 Density= 0.107668 ETOT(band)= -0.116905 trlgG= -0.147490 logG= -0.029417 TDE= -0.171353 logGD-logG0= -0.005226 tlogG= -0.022740 logG= -0.027966 Density= 0.108162 ETOT(band)= -0.115844 trlgG= -0.145192 logG= -0.027966 TDE= -0.170750 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.023980 logG= -0.028524 Density= 0.106100 ETOT(band)= -0.117081 trlgG= -0.146860 logG= -0.028524 TDE= -0.170840 logGD-logG0= -0.005305 tlogG= -0.022882 logG= -0.028187 Density= 0.107535 ETOT(band)= -0.116265 trlgG= -0.145528 logG= -0.028187 TDE= -0.170555 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023901 logG= -0.028999 Density= 0.106682 ETOT(band)= -0.117078 trlgG= -0.147097 logG= -0.028999 TDE= -0.170889 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106978 ETOT(band)= -0.117061 trlgG= -0.147353 logG= -0.029153 TDE= -0.171138 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004935 tlogG= -0.022858 logG= -0.027793 Density= 0.107220 ETOT(band)= -0.116202 trlgG= -0.145241 logG= -0.027793 TDE= -0.170506 logGD-logG0= -0.005496 tlogG= -0.023204 logG= -0.028700 Density= 0.107601 ETOT(band)= -0.116514 trlgG= -0.146338 logG= -0.028700 TDE= -0.170885 logGD-logG0= -0.005472 tlogG= -0.023875 logG= -0.029347 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107830 ETOT(band)= -0.116774 trlgG= -0.147385 logG= -0.029347 TDE= -0.171397 logGD-logG0= -0.005462 tlogG= -0.024063 logG= -0.029524 logGD-logG0= -0.010178 tlogG= -0.048256 logG= -0.058434 Density= 0.107861 ETOT(band)= -0.116880 trlgG= -0.147682 logG= -0.029524 TDE= -0.171532 Density= 0.214244 ETOT(band)= -0.234082 trlgG= -0.294783 logG= -0.058434 TDE= -0.342367 logGD-logG0= -0.002498 tlogG= -0.010429 logG= -0.012927 Density= 0.054333 ETOT(band)= -0.057059 trlgG= -0.070792 logG= -0.012927 TDE= -0.084751 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005510 tlogG= -0.023584 logG= -0.029094 Density= 0.107716 ETOT(band)= -0.116677 trlgG= -0.146969 logG= -0.029094 TDE= -0.171178 logGD-logG0= -0.004905 tlogG= -0.023692 logG= -0.028597 Density= 0.106900 ETOT(band)= -0.116806 trlgG= -0.146674 logG= -0.028597 TDE= -0.170977 logGD-logG0= -0.009859 tlogG= -0.045773 logG= -0.055632 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214860 ETOT(band)= -0.232240 trlgG= -0.290386 logG= -0.055632 TDE= -0.341078 logGD-logG0= -0.010043 tlogG= -0.047171 logG= -0.057214 Density= 0.213616 ETOT(band)= -0.233670 trlgG= -0.293200 logG= -0.057214 TDE= -0.341695 logGD-logG0= -0.010899 tlogG= -0.047760 logG= -0.058659 Density= 0.214596 ETOT(band)= -0.234009 trlgG= -0.294613 logG= -0.058659 TDE= -0.342147 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009498 tlogG= -0.047645 logG= -0.057143 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010139 tlogG= -0.045602 logG= -0.055741 Density= 0.214211 ETOT(band)= -0.232587 trlgG= -0.290560 logG= -0.055741 TDE= -0.340822 Density= 0.212782 ETOT(band)= -0.233965 trlgG= -0.293272 logG= -0.057143 TDE= -0.341424 logGD-logG0= -0.010854 tlogG= -0.048095 logG= -0.058949 Density= 0.214907 ETOT(band)= -0.234064 trlgG= -0.295125 logG= -0.058949 TDE= -0.342523 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047912 logG= -0.058236 Density= 0.213815 ETOT(band)= -0.234118 trlgG= -0.294468 logG= -0.058236 TDE= -0.342038 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009927 tlogG= -0.047947 logG= -0.057874 Density= 0.213125 ETOT(band)= -0.234177 trlgG= -0.293915 logG= -0.057874 TDE= -0.341506 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.047171 logG= -0.057370 Density= 0.213627 ETOT(band)= -0.233715 trlgG= -0.292993 logG= -0.057370 TDE= -0.341337 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010763 tlogG= -0.047800 logG= -0.058564 logGD-logG0= -0.010701 tlogG= -0.047994 logG= -0.058696 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214910 ETOT(band)= -0.233919 trlgG= -0.294709 logG= -0.058696 TDE= -0.342362 Density= 0.214496 ETOT(band)= -0.234002 trlgG= -0.294443 logG= -0.058564 TDE= -0.342023 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047675 logG= -0.058237 Density= 0.213796 ETOT(band)= -0.234105 trlgG= -0.294221 logG= -0.058237 TDE= -0.341781 logGD-logG0= -0.009815 tlogG= -0.047459 logG= -0.057274 logGD-logG0= -0.010447 tlogG= -0.048042 logG= -0.058489 Density= 0.214157 ETOT(band)= -0.233504 trlgG= -0.293334 logG= -0.057274 TDE= -0.342035 logGD-logG0= -0.001754 tlogG= -0.007307 logG= -0.009061 Density= 0.035817 ETOT(band)= -0.038565 trlgG= -0.047972 logG= -0.009061 TDE= -0.056636 logGD-logG0= -0.010935 tlogG= -0.048030 logG= -0.058964 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214944 ETOT(band)= -0.234055 trlgG= -0.295153 logG= -0.058964 TDE= -0.342554 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214373 ETOT(band)= -0.234030 trlgG= -0.294533 logG= -0.058489 TDE= -0.342127 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010786 tlogG= -0.047326 logG= -0.058112 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214106 ETOT(band)= -0.233899 trlgG= -0.293695 logG= -0.058112 TDE= -0.341534 logGD-logG0= -0.010995 tlogG= -0.047538 logG= -0.058533 Density= 0.215532 ETOT(band)= -0.233514 trlgG= -0.294500 logG= -0.058533 TDE= -0.342623 logGD-logG0= -0.010243 tlogG= -0.045663 logG= -0.055906 logGD-logG0= -0.001688 tlogG= -0.006994 logG= -0.008681 Density= 0.036167 ETOT(band)= -0.038117 trlgG= -0.047313 logG= -0.008681 TDE= -0.056528 Density= 0.214990 ETOT(band)= -0.232317 trlgG= -0.290380 logG= -0.055906 TDE= -0.340862 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010921 tlogG= -0.047951 logG= -0.058871 Density= 0.215726 ETOT(band)= -0.233631 trlgG= -0.295064 logG= -0.058871 TDE= -0.342944 logGD-logG0= -0.010954 tlogG= -0.047438 logG= -0.058392 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215302 ETOT(band)= -0.233553 trlgG= -0.294259 logG= -0.058392 TDE= -0.342409 logGD-logG0= -0.010557 tlogG= -0.046427 logG= -0.056984 Density= 0.215054 ETOT(band)= -0.232882 trlgG= -0.292011 logG= -0.056984 TDE= -0.341447 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010976 tlogG= -0.047899 logG= -0.058875 Density= 0.215599 ETOT(band)= -0.233703 trlgG= -0.295065 logG= -0.058875 TDE= -0.342879 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106048 ETOT(band)= -0.117124 trlgG= -0.146974 logG= -0.028574 TDE= -0.170878 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011047 tlogG= -0.048161 logG= -0.059208 Density= 0.215257 ETOT(band)= -0.234083 trlgG= -0.295592 logG= -0.059208 TDE= -0.342904 logGD-logG0= -0.010170 tlogG= -0.047237 logG= -0.057407 Density= 0.214321 ETOT(band)= -0.233466 trlgG= -0.293109 logG= -0.057407 TDE= -0.341759 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010470 tlogG= -0.047167 logG= -0.057636 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214989 ETOT(band)= -0.233284 trlgG= -0.293029 logG= -0.057636 TDE= -0.341780 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010996 tlogG= -0.046895 logG= -0.057891 Density= 0.215265 ETOT(band)= -0.233275 trlgG= -0.293457 logG= -0.057891 TDE= -0.342090 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002559 tlogG= -0.010844 logG= -0.013403 Density= 0.054021 ETOT(band)= -0.057575 trlgG= -0.071637 logG= -0.013403 TDE= -0.084966 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005094 tlogG= -0.021571 logG= -0.026665 Density= 0.108426 ETOT(band)= -0.114851 trlgG= -0.143019 logG= -0.026665 TDE= -0.170008 logGD-logG0= -0.005181 tlogG= -0.021881 logG= -0.027062 Density= 0.108237 ETOT(band)= -0.115217 trlgG= -0.143698 logG= -0.027062 TDE= -0.170197 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.020996 logG= -0.026009 Density= 0.108621 ETOT(band)= -0.114264 trlgG= -0.141863 logG= -0.026009 TDE= -0.169605 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005261 tlogG= -0.021824 logG= -0.027085 Density= 0.107708 ETOT(band)= -0.115503 trlgG= -0.143756 logG= -0.027085 TDE= -0.169970 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005202 tlogG= -0.021701 logG= -0.026902 Density= 0.107849 ETOT(band)= -0.115311 trlgG= -0.143447 logG= -0.026902 TDE= -0.169914 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010397 tlogG= -0.043403 logG= -0.053800 Density= 0.216109 ETOT(band)= -0.230413 trlgG= -0.286873 logG= -0.053800 TDE= -0.340015 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001321 tlogG= -0.005857 logG= -0.007178 Density= 0.080587 ETOT(band)= -0.087590 trlgG= -0.110314 logG= -0.007178 TDE= -0.042796 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005940 logG= -0.007266 Density= 0.080769 ETOT(band)= -0.087627 trlgG= -0.110511 logG= -0.007266 TDE= -0.042850 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.005621 logG= -0.006906 Density= 0.080777 ETOT(band)= -0.086946 trlgG= -0.108755 logG= -0.006906 TDE= -0.042655 logGD-logG0= -0.001306 tlogG= -0.005749 logG= -0.007055 Density= 0.080576 ETOT(band)= -0.087374 trlgG= -0.109758 logG= -0.007055 TDE= -0.042731 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001324 tlogG= -0.005985 logG= -0.007309 logGD-logG0= -0.005417 tlogG= -0.024006 logG= -0.029423 Density= 0.215518 ETOT(band)= -0.233803 trlgG= -0.295219 logG= -0.029423 TDE= -0.171514 Density= 0.080996 ETOT(band)= -0.087531 trlgG= -0.110565 logG= -0.007309 TDE= -0.042880 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023490 logG= -0.028931 Density= 0.215052 ETOT(band)= -0.233270 trlgG= -0.293300 logG= -0.028931 TDE= -0.171105 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005451 tlogG= -0.023804 logG= -0.029255 Density= 0.215169 ETOT(band)= -0.233707 trlgG= -0.294566 logG= -0.029255 TDE= -0.171361 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.024004 logG= -0.029385 Density= 0.216181 ETOT(band)= -0.233288 trlgG= -0.294745 logG= -0.029385 TDE= -0.171532 logGD-logG0= -0.004964 tlogG= -0.024012 logG= -0.028975 Density= 0.321331 ETOT(band)= -0.351015 trlgG= -0.441930 logG= -0.028975 TDE= -0.171164 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001496 tlogG= -0.007967 logG= -0.009464 logGD-logG0= -0.005512 tlogG= -0.024126 logG= -0.029638 Density= 0.215550 ETOT(band)= -0.233959 trlgG= -0.295635 logG= -0.029638 TDE= -0.171546 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.023852 logG= -0.029117 logGD-logG0= -0.005235 tlogG= -0.024168 logG= -0.029404 Density= 0.215329 ETOT(band)= -0.233703 trlgG= -0.294667 logG= -0.029117 TDE= -0.171049 Density= 0.322197 ETOT(band)= -0.351135 trlgG= -0.442607 logG= -0.029404 TDE= -0.171170 Density= 0.070821 ETOT(band)= -0.077925 trlgG= -0.097580 logG= -0.009464 TDE= -0.056942 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.023979 logG= -0.028747 logGD-logG0= -0.005307 tlogG= -0.022446 logG= -0.027753 Density= 0.216201 ETOT(band)= -0.231231 trlgG= -0.288997 logG= -0.027753 TDE= -0.170505 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212666 ETOT(band)= -0.234200 trlgG= -0.293877 logG= -0.028747 TDE= -0.170771 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010790 tlogG= -0.047796 logG= -0.058586 Density= 0.324091 ETOT(band)= -0.349836 trlgG= -0.441615 logG= -0.058586 TDE= -0.342903 logGD-logG0= -0.005374 tlogG= -0.023961 logG= -0.029335 Density= 0.216215 ETOT(band)= -0.233184 trlgG= -0.294513 logG= -0.029335 TDE= -0.171505 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004623 tlogG= -0.023746 logG= -0.028369 Density= 0.212944 ETOT(band)= -0.233514 trlgG= -0.292149 logG= -0.028369 TDE= -0.170719 logGD-logG0= -0.010553 tlogG= -0.045645 logG= -0.056198 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001644 tlogG= -0.006876 logG= -0.008520 Density= 0.040814 ETOT(band)= -0.042664 trlgG= -0.052873 logG= -0.008520 TDE= -0.056443 Density= 0.323794 ETOT(band)= -0.347863 trlgG= -0.435557 logG= -0.056198 TDE= -0.341332 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005399 tlogG= -0.023420 logG= -0.028819 Density= 0.216027 ETOT(band)= -0.232604 trlgG= -0.292600 logG= -0.028819 TDE= -0.171125 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.024163 logG= -0.029373 logGD-logG0= -0.005270 tlogG= -0.023963 logG= -0.029232 Density= 0.214581 ETOT(band)= -0.234108 trlgG= -0.294921 logG= -0.029373 TDE= -0.171175 Density= 0.214183 ETOT(band)= -0.234034 trlgG= -0.294303 logG= -0.029232 TDE= -0.171001 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023897 logG= -0.028690 Density= 0.213136 ETOT(band)= -0.233793 trlgG= -0.292884 logG= -0.028690 TDE= -0.170723 logGD-logG0= -0.005219 tlogG= -0.023252 logG= -0.028470 Density= 0.321467 ETOT(band)= -0.350474 trlgG= -0.440201 logG= -0.028470 TDE= -0.170791 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005393 tlogG= -0.023767 logG= -0.029160 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216106 ETOT(band)= -0.232985 trlgG= -0.293808 logG= -0.029160 TDE= -0.171364 logGD-logG0= -0.005106 tlogG= -0.023891 logG= -0.028997 logGD-logG0= -0.004973 tlogG= -0.023250 logG= -0.028223 Density= 0.213352 ETOT(band)= -0.233546 trlgG= -0.292609 logG= -0.028223 TDE= -0.170682 logGD-logG0= -0.001233 tlogG= -0.005173 logG= -0.006406 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062496 ETOT(band)= -0.067525 trlgG= -0.084321 logG= -0.006406 TDE= -0.042344 Density= 0.213636 ETOT(band)= -0.233944 trlgG= -0.293391 logG= -0.028997 TDE= -0.170730 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010836 tlogG= -0.047245 logG= -0.058081 Density= 0.323876 ETOT(band)= -0.349467 trlgG= -0.440266 logG= -0.058081 TDE= -0.342512 logGD-logG0= -0.004931 tlogG= -0.024012 logG= -0.028943 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010831 tlogG= -0.046425 logG= -0.057257 Density= 0.323744 ETOT(band)= -0.348809 trlgG= -0.438178 logG= -0.057257 TDE= -0.341955 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.022973 logG= -0.028344 Density= 0.216056 ETOT(band)= -0.232029 trlgG= -0.290983 logG= -0.028344 TDE= -0.170839 logGD-logG0= -0.004874 tlogG= -0.023373 logG= -0.028247 Density= 0.321403 ETOT(band)= -0.349965 trlgG= -0.439348 logG= -0.028247 TDE= -0.170839 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213966 ETOT(band)= -0.234022 trlgG= -0.294522 logG= -0.028943 TDE= -0.171168 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005559 tlogG= -0.023902 logG= -0.029461 Density= 0.215478 ETOT(band)= -0.233705 trlgG= -0.294946 logG= -0.029461 TDE= -0.171369 logGD-logG0= -0.005026 tlogG= -0.023842 logG= -0.028868 logGD-logG0= -0.005440 tlogG= -0.024091 logG= -0.029531 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213423 ETOT(band)= -0.234081 trlgG= -0.294130 logG= -0.028868 TDE= -0.170986 Density= 0.322813 ETOT(band)= -0.351110 trlgG= -0.443258 logG= -0.029531 TDE= -0.171359 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005544 tlogG= -0.023962 logG= -0.029506 Density= 0.323407 ETOT(band)= -0.350578 trlgG= -0.442701 logG= -0.029506 TDE= -0.171418 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010527 tlogG= -0.048161 logG= -0.058688 logGD-logG0= -0.011074 tlogG= -0.048053 logG= -0.059127 logGD-logG0= -0.010023 tlogG= -0.047851 logG= -0.057874 Density= 0.427730 ETOT(band)= -0.468028 trlgG= -0.588628 logG= -0.057874 TDE= -0.342142 logGD-logG0= -0.005156 tlogG= -0.022912 logG= -0.028068 Density= 0.214641 ETOT(band)= -0.232338 trlgG= -0.290077 logG= -0.028068 TDE= -0.170370 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005607 tlogG= -0.023688 logG= -0.029295 Density= 0.215242 ETOT(band)= -0.233556 trlgG= -0.294247 logG= -0.029295 TDE= -0.171192 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428981 ETOT(band)= -0.468149 trlgG= -0.589402 logG= -0.058688 TDE= -0.342189 Density= 0.322997 ETOT(band)= -0.350903 trlgG= -0.442956 logG= -0.059127 TDE= -0.342894 logGD-logG0= -0.001635 tlogG= -0.007590 logG= -0.009225 Density= 0.071446 ETOT(band)= -0.077326 trlgG= -0.096283 logG= -0.009225 TDE= -0.056717 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023203 logG= -0.028561 Density= 0.214710 ETOT(band)= -0.232894 trlgG= -0.291608 logG= -0.028561 TDE= -0.170555 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010062 tlogG= -0.046618 logG= -0.056680 Density= 0.322466 ETOT(band)= -0.348924 trlgG= -0.436992 logG= -0.056680 TDE= -0.341488 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047682 logG= -0.058318 Density= 0.427981 ETOT(band)= -0.468014 trlgG= -0.587960 logG= -0.058318 TDE= -0.341783 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005624 tlogG= -0.023363 logG= -0.028987 Density= 0.214945 ETOT(band)= -0.233296 trlgG= -0.293105 logG= -0.028987 TDE= -0.170898 logGD-logG0= -0.009826 tlogG= -0.046727 logG= -0.056552 Density= 0.427594 ETOT(band)= -0.465996 trlgG= -0.582615 logG= -0.056552 TDE= -0.341095 logGD-logG0= -0.010696 tlogG= -0.047969 logG= -0.058665 logGD-logG0= -0.009883 tlogG= -0.046619 logG= -0.056502 Density= 0.428885 ETOT(band)= -0.468110 trlgG= -0.589042 logG= -0.058665 TDE= -0.342024 Density= 0.427793 ETOT(band)= -0.466721 trlgG= -0.585228 logG= -0.056502 TDE= -0.341512 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009338 tlogG= -0.048109 logG= -0.057447 Density= 0.425250 ETOT(band)= -0.468198 trlgG= -0.587237 logG= -0.057447 TDE= -0.341658 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010659 tlogG= -0.048235 logG= -0.058894 Density= 0.429711 ETOT(band)= -0.468157 trlgG= -0.590167 logG= -0.058894 TDE= -0.342397 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010027 tlogG= -0.047666 logG= -0.057694 logGD-logG0= -0.011145 tlogG= -0.047701 logG= -0.058846 Density= 0.430757 ETOT(band)= -0.467359 trlgG= -0.589489 logG= -0.058846 TDE= -0.342647 Density= 0.426376 ETOT(band)= -0.468233 trlgG= -0.587753 logG= -0.057694 TDE= -0.341672 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011036 tlogG= -0.047744 logG= -0.058780 logGD-logG0= -0.010869 tlogG= -0.048085 logG= -0.058954 Density= 0.429817 ETOT(band)= -0.467988 trlgG= -0.589840 logG= -0.058954 TDE= -0.342523 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.047866 logG= -0.058064 Density= 0.428819 ETOT(band)= -0.467811 trlgG= -0.588609 logG= -0.058064 TDE= -0.342130 Density= 0.430419 ETOT(band)= -0.467414 trlgG= -0.589128 logG= -0.058780 TDE= -0.342540 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009982 tlogG= -0.047785 logG= -0.057767 Density= 0.426877 ETOT(band)= -0.467785 trlgG= -0.586607 logG= -0.057767 TDE= -0.341374 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010696 tlogG= -0.046944 logG= -0.057640 Density= 0.429560 ETOT(band)= -0.466356 trlgG= -0.584996 logG= -0.057640 TDE= -0.341492 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011070 tlogG= -0.048027 logG= -0.059096 Density= 0.430995 ETOT(band)= -0.467643 trlgG= -0.590484 logG= -0.059096 TDE= -0.342912 logGD-logG0= -0.001252 tlogG= -0.005309 logG= -0.006561 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081491 ETOT(band)= -0.085668 trlgG= -0.106359 logG= -0.006561 TDE= -0.042446 logGD-logG0= -0.005023 tlogG= -0.022334 logG= -0.027357 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322633 ETOT(band)= -0.347891 trlgG= -0.434599 logG= -0.027357 TDE= -0.170187 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010311 tlogG= -0.046413 logG= -0.056724 logGD-logG0= -0.010379 tlogG= -0.047571 logG= -0.057951 Density= 0.429218 ETOT(band)= -0.465435 trlgG= -0.582301 logG= -0.056724 TDE= -0.341208 Density= 0.428297 ETOT(band)= -0.467358 trlgG= -0.587001 logG= -0.057951 TDE= -0.341828 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011095 tlogG= -0.047283 logG= -0.058378 Density= 0.430153 ETOT(band)= -0.466988 trlgG= -0.587654 logG= -0.058378 TDE= -0.342156 logGD-logG0= -0.010621 tlogG= -0.047584 logG= -0.058205 Density= 0.429686 ETOT(band)= -0.467005 trlgG= -0.586928 logG= -0.058205 TDE= -0.341937 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004491 tlogG= -0.024137 logG= -0.028628 Density= 0.212035 ETOT(band)= -0.234298 trlgG= -0.294071 logG= -0.028628 TDE= -0.170916 logGD-logG0= -0.004842 tlogG= -0.023376 logG= -0.028218 Density= 0.214031 ETOT(band)= -0.233308 trlgG= -0.292725 logG= -0.028218 TDE= -0.170847 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.021308 logG= -0.026403 Density= 0.162517 ETOT(band)= -0.172947 trlgG= -0.216214 logG= -0.026403 TDE= -0.169821 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004678 tlogG= -0.023592 logG= -0.028271 Density= 0.212480 ETOT(band)= -0.233919 trlgG= -0.293123 logG= -0.028271 TDE= -0.170634 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010344 tlogG= -0.044636 logG= -0.054980 Density= 0.324036 ETOT(band)= -0.346592 trlgG= -0.432545 logG= -0.054980 TDE= -0.340655 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005470 logG= -0.006741 Density= 0.081136 ETOT(band)= -0.086334 trlgG= -0.107518 logG= -0.006741 TDE= -0.042557 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001756 tlogG= -0.007119 logG= -0.008875 Density= 0.072173 ETOT(band)= -0.076461 trlgG= -0.094973 logG= -0.008875 TDE= -0.056603 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005137 tlogG= -0.022298 logG= -0.027435 Density= 0.214110 ETOT(band)= -0.232375 trlgG= -0.289828 logG= -0.027435 TDE= -0.170105 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004983 tlogG= -0.022333 logG= -0.027316 Density= 0.214871 ETOT(band)= -0.231891 trlgG= -0.289479 logG= -0.027316 TDE= -0.170193 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005105 tlogG= -0.022480 logG= -0.027584 Density= 0.214866 ETOT(band)= -0.231602 trlgG= -0.288432 logG= -0.027584 TDE= -0.170119 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.021886 logG= -0.027154 Density= 0.216455 ETOT(band)= -0.230233 trlgG= -0.286880 logG= -0.027154 TDE= -0.170165 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005178 tlogG= -0.021357 logG= -0.026535 Density= 0.216846 ETOT(band)= -0.229126 trlgG= -0.284676 logG= -0.026535 TDE= -0.169834 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005137 tlogG= -0.021212 logG= -0.026349 logGD-logG0= -0.010193 tlogG= -0.044637 logG= -0.054831 Density= 0.216178 ETOT(band)= -0.229983 trlgG= -0.285930 logG= -0.026349 TDE= -0.169740 Density= 0.431279 ETOT(band)= -0.461968 trlgG= -0.575520 logG= -0.054831 TDE= -0.340293 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.737487287982 eV TrLogG= -407.704890124248 eV Ratio to renormalize= 1.000776340510 rho-rho_expected=-0.017066242008 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964563914583657 0.940230425004744 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001550 tlogG= -0.007815 logG= -0.009365 Density= 0.035470 ETOT(band)= -0.038916 trlgG= -0.048675 logG= -0.009365 TDE= -0.056862 logGD-logG0= -0.001470 tlogG= -0.008048 logG= -0.009518 Density= 0.035292 ETOT(band)= -0.039067 trlgG= -0.049039 logG= -0.009518 TDE= -0.056985 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004516 tlogG= -0.024062 logG= -0.028578 Density= 0.106051 ETOT(band)= -0.117137 trlgG= -0.146992 logG= -0.028578 TDE= -0.170893 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004543 tlogG= -0.023985 logG= -0.028528 Density= 0.106103 ETOT(band)= -0.117094 trlgG= -0.146878 logG= -0.028528 TDE= -0.170856 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.023000 logG= -0.027902 Density= 0.106801 ETOT(band)= -0.116466 trlgG= -0.145408 logG= -0.027902 TDE= -0.170357 logGD-logG0= -0.005204 tlogG= -0.022420 logG= -0.027624 Density= 0.107558 ETOT(band)= -0.115942 trlgG= -0.144648 logG= -0.027624 TDE= -0.170249 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001687 tlogG= -0.006996 logG= -0.008682 Density= 0.036168 ETOT(band)= -0.038121 trlgG= -0.047318 logG= -0.008682 TDE= -0.056533 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005092 tlogG= -0.021576 logG= -0.026669 Density= 0.108430 ETOT(band)= -0.114862 trlgG= -0.143035 logG= -0.026669 TDE= -0.170023 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000204 tlogG= -0.000853 logG= -0.001057 Density= 0.004539 ETOT(band)= -0.004732 trlgG= -0.005861 logG= -0.001057 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002700 tlogG= -0.012038 logG= -0.014738 Density= 0.053724 ETOT(band)= -0.058524 trlgG= -0.073788 logG= -0.014738 TDE= -0.085635 logGD-logG0= -0.002518 tlogG= -0.012088 logG= -0.014606 Density= 0.053547 ETOT(band)= -0.058534 trlgG= -0.073731 logG= -0.014606 TDE= -0.085623 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002422 tlogG= -0.011889 logG= -0.014311 Density= 0.053525 ETOT(band)= -0.058390 trlgG= -0.073368 logG= -0.014311 TDE= -0.085544 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.023442 logG= -0.028781 Density= 0.108049 ETOT(band)= -0.116362 trlgG= -0.146494 logG= -0.028781 TDE= -0.171181 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002725 tlogG= -0.011993 logG= -0.014718 Density= 0.053942 ETOT(band)= -0.058408 trlgG= -0.073773 logG= -0.014718 TDE= -0.085748 logGD-logG0= -0.005344 tlogG= -0.023775 logG= -0.029119 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002656 tlogG= -0.011990 logG= -0.014645 Density= 0.054096 ETOT(band)= -0.058288 trlgG= -0.073652 logG= -0.014645 TDE= -0.085776 Density= 0.108095 ETOT(band)= -0.116525 trlgG= -0.147031 logG= -0.029119 TDE= -0.171402 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005297 tlogG= -0.022994 logG= -0.028291 logGD-logG0= -0.005332 tlogG= -0.023961 logG= -0.029293 Density= 0.108145 ETOT(band)= -0.116600 trlgG= -0.147309 logG= -0.029293 TDE= -0.171532 logGD-logG0= -0.005227 tlogG= -0.022469 logG= -0.027696 Density= 0.108054 ETOT(band)= -0.116091 trlgG= -0.145719 logG= -0.028291 TDE= -0.170899 logGD-logG0= -0.005144 tlogG= -0.022182 logG= -0.027326 Density= 0.108277 ETOT(band)= -0.115412 trlgG= -0.144164 logG= -0.027326 TDE= -0.170419 Density= 0.108122 ETOT(band)= -0.115718 trlgG= -0.144771 logG= -0.027696 TDE= -0.170579 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.023216 logG= -0.028031 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106667 ETOT(band)= -0.116596 trlgG= -0.145672 logG= -0.028031 TDE= -0.170425 logGD-logG0= -0.004739 tlogG= -0.024057 logG= -0.028796 logGD-logG0= -0.005321 tlogG= -0.023616 logG= -0.028937 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108121 ETOT(band)= -0.116409 trlgG= -0.146739 logG= -0.028937 TDE= -0.171305 Density= 0.106320 ETOT(band)= -0.117128 trlgG= -0.147003 logG= -0.028796 TDE= -0.170819 logGD-logG0= -0.005425 tlogG= -0.023978 logG= -0.029403 Density= 0.107367 ETOT(band)= -0.117035 trlgG= -0.147448 logG= -0.029403 TDE= -0.171175 logGD-logG0= -0.004873 tlogG= -0.023680 logG= -0.028553 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106528 ETOT(band)= -0.116934 trlgG= -0.146585 logG= -0.028553 TDE= -0.170747 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005518 tlogG= -0.024144 logG= -0.029662 Density= 0.107731 ETOT(band)= -0.117046 trlgG= -0.147913 logG= -0.029662 TDE= -0.171562 logGD-logG0= -0.005192 tlogG= -0.023655 logG= -0.028847 Density= 0.106905 ETOT(band)= -0.116908 trlgG= -0.146500 logG= -0.028847 TDE= -0.170555 logGD-logG0= -0.005056 tlogG= -0.022861 logG= -0.027917 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107670 ETOT(band)= -0.116072 trlgG= -0.145134 logG= -0.027917 TDE= -0.170498 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.024104 logG= -0.029293 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005474 tlogG= -0.024083 logG= -0.029557 Density= 0.107303 ETOT(band)= -0.117013 trlgG= -0.147346 logG= -0.029293 TDE= -0.171152 Density= 0.107564 ETOT(band)= -0.117050 trlgG= -0.147723 logG= -0.029557 TDE= -0.171393 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.023511 logG= -0.028439 logGD-logG0= -0.005098 tlogG= -0.023905 logG= -0.029003 logGD-logG0= -0.005303 tlogG= -0.022887 logG= -0.028190 Density= 0.107539 ETOT(band)= -0.116277 trlgG= -0.145545 logG= -0.028190 TDE= -0.170570 Density= 0.106685 ETOT(band)= -0.117090 trlgG= -0.147114 logG= -0.029003 TDE= -0.170905 logGD-logG0= -0.004903 tlogG= -0.023698 logG= -0.028600 Density= 0.106903 ETOT(band)= -0.116819 trlgG= -0.146692 logG= -0.028600 TDE= -0.170992 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106702 ETOT(band)= -0.116788 trlgG= -0.146158 logG= -0.028439 TDE= -0.170521 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023883 logG= -0.029201 Density= 0.108166 ETOT(band)= -0.116536 trlgG= -0.147160 logG= -0.029201 TDE= -0.171485 logGD-logG0= -0.005484 tlogG= -0.024098 logG= -0.029582 Density= 0.107807 ETOT(band)= -0.116959 trlgG= -0.147787 logG= -0.029582 TDE= -0.171553 logGD-logG0= -0.005506 tlogG= -0.023914 logG= -0.029420 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107672 ETOT(band)= -0.116916 trlgG= -0.147508 logG= -0.029420 TDE= -0.171369 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005459 tlogG= -0.024069 logG= -0.029528 Density= 0.107866 ETOT(band)= -0.116892 trlgG= -0.147699 logG= -0.029528 TDE= -0.171548 logGD-logG0= -0.005495 tlogG= -0.023208 logG= -0.028703 Density= 0.107605 ETOT(band)= -0.116526 trlgG= -0.146356 logG= -0.028703 TDE= -0.170900 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005469 tlogG= -0.023881 logG= -0.029350 Density= 0.107835 ETOT(band)= -0.116785 trlgG= -0.147402 logG= -0.029350 TDE= -0.171413 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.048267 logG= -0.058442 Density= 0.214252 ETOT(band)= -0.234106 trlgG= -0.294817 logG= -0.058442 TDE= -0.342398 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005507 tlogG= -0.023591 logG= -0.029097 Density= 0.107720 ETOT(band)= -0.116688 trlgG= -0.146986 logG= -0.029097 TDE= -0.171194 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.023700 logG= -0.028724 logGD-logG0= -0.010039 tlogG= -0.047182 logG= -0.057221 logGD-logG0= -0.002497 tlogG= -0.010432 logG= -0.012929 Density= 0.054335 ETOT(band)= -0.057064 trlgG= -0.070800 logG= -0.012929 TDE= -0.084759 Density= 0.107302 ETOT(band)= -0.116702 trlgG= -0.146603 logG= -0.028724 TDE= -0.170978 Density= 0.213623 ETOT(band)= -0.233695 trlgG= -0.293236 logG= -0.057221 TDE= -0.341726 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010851 tlogG= -0.048106 logG= -0.058956 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009856 tlogG= -0.045783 logG= -0.055639 Density= 0.214916 ETOT(band)= -0.234087 trlgG= -0.295161 logG= -0.058956 TDE= -0.342556 Density= 0.214867 ETOT(band)= -0.232264 trlgG= -0.290421 logG= -0.055639 TDE= -0.341109 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.047179 logG= -0.057377 logGD-logG0= -0.010321 tlogG= -0.047923 logG= -0.058244 Density= 0.213823 ETOT(band)= -0.234142 trlgG= -0.294503 logG= -0.058244 TDE= -0.342069 logGD-logG0= -0.010135 tlogG= -0.045613 logG= -0.055748 Density= 0.214218 ETOT(band)= -0.232612 trlgG= -0.290595 logG= -0.055748 TDE= -0.340852 Density= 0.213634 ETOT(band)= -0.233740 trlgG= -0.293028 logG= -0.057377 TDE= -0.341368 logGD-logG0= -0.010896 tlogG= -0.047771 logG= -0.058667 logGD-logG0= -0.009497 tlogG= -0.047654 logG= -0.057151 Density= 0.212789 ETOT(band)= -0.233990 trlgG= -0.293307 logG= -0.057151 TDE= -0.341455 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.048004 logG= -0.058703 logGD-logG0= -0.009926 tlogG= -0.047955 logG= -0.057881 Density= 0.213132 ETOT(band)= -0.234202 trlgG= -0.293951 logG= -0.057881 TDE= -0.341538 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214605 ETOT(band)= -0.234032 trlgG= -0.294648 logG= -0.058667 TDE= -0.342179 Density= 0.214919 ETOT(band)= -0.233942 trlgG= -0.294744 logG= -0.058703 TDE= -0.342394 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010760 tlogG= -0.047811 logG= -0.058571 Density= 0.214505 ETOT(band)= -0.234026 trlgG= -0.294479 logG= -0.058571 TDE= -0.342055 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010932 tlogG= -0.048040 logG= -0.058972 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009812 tlogG= -0.047470 logG= -0.057282 Density= 0.214952 ETOT(band)= -0.234079 trlgG= -0.295188 logG= -0.058972 TDE= -0.342586 Density= 0.214164 ETOT(band)= -0.233528 trlgG= -0.293368 logG= -0.057282 TDE= -0.342066 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010444 tlogG= -0.048052 logG= -0.058496 Density= 0.214381 ETOT(band)= -0.234054 trlgG= -0.294568 logG= -0.058496 TDE= -0.342157 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001754 tlogG= -0.007308 logG= -0.009062 Density= 0.035819 ETOT(band)= -0.038569 trlgG= -0.047978 logG= -0.009062 TDE= -0.056641 logGD-logG0= -0.010560 tlogG= -0.047684 logG= -0.058244 Density= 0.213803 ETOT(band)= -0.234129 trlgG= -0.294256 logG= -0.058244 TDE= -0.341812 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010240 tlogG= -0.045673 logG= -0.055913 Density= 0.214998 ETOT(band)= -0.232341 trlgG= -0.290413 logG= -0.055913 TDE= -0.340892 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010989 tlogG= -0.047551 logG= -0.058540 Density= 0.215541 ETOT(band)= -0.233537 trlgG= -0.294534 logG= -0.058540 TDE= -0.342655 logGD-logG0= -0.010785 tlogG= -0.047334 logG= -0.058119 logGD-logG0= -0.010952 tlogG= -0.047447 logG= -0.058399 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214114 ETOT(band)= -0.233924 trlgG= -0.293730 logG= -0.058119 TDE= -0.341565 Density= 0.215310 ETOT(band)= -0.233576 trlgG= -0.294293 logG= -0.058399 TDE= -0.342440 logGD-logG0= -0.010915 tlogG= -0.047963 logG= -0.058878 Density= 0.215735 ETOT(band)= -0.233654 trlgG= -0.295098 logG= -0.058878 TDE= -0.342976 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010554 tlogG= -0.046437 logG= -0.056991 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215062 ETOT(band)= -0.232906 trlgG= -0.292046 logG= -0.056991 TDE= -0.341479 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011045 tlogG= -0.048171 logG= -0.059216 Density= 0.215266 ETOT(band)= -0.234106 trlgG= -0.295627 logG= -0.059216 TDE= -0.342936 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010970 tlogG= -0.047912 logG= -0.058882 Density= 0.215608 ETOT(band)= -0.233726 trlgG= -0.295099 logG= -0.058882 TDE= -0.342911 logGD-logG0= -0.010993 tlogG= -0.046905 logG= -0.057898 logGD-logG0= -0.010166 tlogG= -0.047248 logG= -0.057414 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215273 ETOT(band)= -0.233299 trlgG= -0.293492 logG= -0.057898 TDE= -0.342121 Density= 0.214328 ETOT(band)= -0.233491 trlgG= -0.293143 logG= -0.057414 TDE= -0.341789 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010467 tlogG= -0.047177 logG= -0.057644 Density= 0.214997 ETOT(band)= -0.233308 trlgG= -0.293064 logG= -0.057644 TDE= -0.341812 logGD-logG0= -0.005290 tlogG= -0.023227 logG= -0.028517 Density= 0.108112 ETOT(band)= -0.116185 trlgG= -0.146075 logG= -0.028517 TDE= -0.171058 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.021887 logG= -0.027066 Density= 0.108241 ETOT(band)= -0.115228 trlgG= -0.143714 logG= -0.027066 TDE= -0.170212 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005011 tlogG= -0.021001 logG= -0.026012 Density= 0.108625 ETOT(band)= -0.114275 trlgG= -0.141878 logG= -0.026012 TDE= -0.169620 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005259 tlogG= -0.021829 logG= -0.027089 Density= 0.107711 ETOT(band)= -0.115515 trlgG= -0.143773 logG= -0.027089 TDE= -0.169985 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005200 tlogG= -0.021706 logG= -0.026906 Density= 0.107853 ETOT(band)= -0.115322 trlgG= -0.143464 logG= -0.026906 TDE= -0.169929 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010393 tlogG= -0.043413 logG= -0.053806 Density= 0.216117 ETOT(band)= -0.230436 trlgG= -0.286906 logG= -0.053806 TDE= -0.340045 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002428 tlogG= -0.011453 logG= -0.013882 Density= 0.053699 ETOT(band)= -0.058059 trlgG= -0.072603 logG= -0.013882 TDE= -0.085294 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.022863 logG= -0.027796 Density= 0.107223 ETOT(band)= -0.116214 trlgG= -0.145258 logG= -0.027796 TDE= -0.170522 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005482 tlogG= -0.023695 logG= -0.029177 Density= 0.107156 ETOT(band)= -0.116981 trlgG= -0.147052 logG= -0.029177 TDE= -0.170901 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.024080 logG= -0.029157 Density= 0.106982 ETOT(band)= -0.117073 trlgG= -0.147370 logG= -0.029157 TDE= -0.171154 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001496 tlogG= -0.007969 logG= -0.009465 Density= 0.070822 ETOT(band)= -0.077933 trlgG= -0.097592 logG= -0.009465 TDE= -0.056947 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004490 tlogG= -0.024142 logG= -0.028632 Density= 0.212041 ETOT(band)= -0.234324 trlgG= -0.294107 logG= -0.028632 TDE= -0.170932 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023597 logG= -0.028274 Density= 0.212485 ETOT(band)= -0.233945 trlgG= -0.293159 logG= -0.028274 TDE= -0.170649 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002558 tlogG= -0.010847 logG= -0.013405 Density= 0.054023 ETOT(band)= -0.057581 trlgG= -0.071645 logG= -0.013405 TDE= -0.084974 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005223 tlogG= -0.022746 logG= -0.027969 Density= 0.108167 ETOT(band)= -0.115855 trlgG= -0.145208 logG= -0.027969 TDE= -0.170765 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005174 logG= -0.006407 Density= 0.062497 ETOT(band)= -0.067533 trlgG= -0.084331 logG= -0.006407 TDE= -0.042348 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005155 tlogG= -0.022917 logG= -0.028072 Density= 0.214648 ETOT(band)= -0.232362 trlgG= -0.290111 logG= -0.028072 TDE= -0.170386 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001755 tlogG= -0.007121 logG= -0.008876 Density= 0.072176 ETOT(band)= -0.076469 trlgG= -0.094983 logG= -0.008876 TDE= -0.056608 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005135 tlogG= -0.022303 logG= -0.027438 Density= 0.214116 ETOT(band)= -0.232400 trlgG= -0.289862 logG= -0.027438 TDE= -0.170121 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005266 tlogG= -0.021891 logG= -0.027157 Density= 0.216463 ETOT(band)= -0.230256 trlgG= -0.286913 logG= -0.027157 TDE= -0.170180 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004962 tlogG= -0.024017 logG= -0.028979 Density= 0.321342 ETOT(band)= -0.351052 trlgG= -0.441982 logG= -0.028979 TDE= -0.171179 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.024174 logG= -0.029408 Density= 0.322210 ETOT(band)= -0.351170 trlgG= -0.442659 logG= -0.029408 TDE= -0.171185 logGD-logG0= -0.010830 tlogG= -0.047258 logG= -0.058088 Density= 0.323890 ETOT(band)= -0.349501 trlgG= -0.440316 logG= -0.058088 TDE= -0.342543 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001320 tlogG= -0.005858 logG= -0.007178 Density= 0.080590 ETOT(band)= -0.087599 trlgG= -0.110327 logG= -0.007178 TDE= -0.042800 logGD-logG0= -0.010785 tlogG= -0.047808 logG= -0.058593 Density= 0.324105 ETOT(band)= -0.349870 trlgG= -0.441665 logG= -0.058593 TDE= -0.342935 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001325 tlogG= -0.005942 logG= -0.007266 Density= 0.080772 ETOT(band)= -0.087635 trlgG= -0.110524 logG= -0.007266 TDE= -0.042854 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.023379 logG= -0.028251 Density= 0.321414 ETOT(band)= -0.350001 trlgG= -0.439400 logG= -0.028251 TDE= -0.170854 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010550 tlogG= -0.045654 logG= -0.056205 Density= 0.323806 ETOT(band)= -0.347897 trlgG= -0.435607 logG= -0.056205 TDE= -0.341363 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010826 tlogG= -0.046437 logG= -0.057264 Density= 0.323757 ETOT(band)= -0.348843 trlgG= -0.438228 logG= -0.057264 TDE= -0.341986 logGD-logG0= -0.001323 tlogG= -0.005986 logG= -0.007310 Density= 0.080999 ETOT(band)= -0.087539 trlgG= -0.110578 logG= -0.007310 TDE= -0.042884 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001305 tlogG= -0.005751 logG= -0.007056 logGD-logG0= -0.005541 tlogG= -0.023968 logG= -0.029509 Density= 0.080579 ETOT(band)= -0.087383 trlgG= -0.109771 logG= -0.007056 TDE= -0.042735 Density= 0.323421 ETOT(band)= -0.350612 trlgG= -0.442752 logG= -0.029509 TDE= -0.171434 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004622 tlogG= -0.023751 logG= -0.028373 Density= 0.212950 ETOT(band)= -0.233540 trlgG= -0.292184 logG= -0.028373 TDE= -0.170734 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001643 tlogG= -0.006878 logG= -0.008521 logGD-logG0= -0.004792 tlogG= -0.023901 logG= -0.028694 Density= 0.040816 ETOT(band)= -0.042668 trlgG= -0.052878 logG= -0.008521 TDE= -0.056448 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213142 ETOT(band)= -0.233818 trlgG= -0.292918 logG= -0.028694 TDE= -0.170738 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010020 tlogG= -0.047862 logG= -0.057882 Density= 0.427744 ETOT(band)= -0.468077 trlgG= -0.588699 logG= -0.057882 TDE= -0.342173 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001635 tlogG= -0.007592 logG= -0.009226 logGD-logG0= -0.010524 tlogG= -0.048171 logG= -0.058695 Density= 0.071449 ETOT(band)= -0.077334 trlgG= -0.096295 logG= -0.009226 TDE= -0.056722 Density= 0.428997 ETOT(band)= -0.468197 trlgG= -0.589471 logG= -0.058695 TDE= -0.342220 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009879 tlogG= -0.046630 logG= -0.056509 Density= 0.427807 ETOT(band)= -0.466770 trlgG= -0.585298 logG= -0.056509 TDE= -0.341543 logGD-logG0= -0.010634 tlogG= -0.047692 logG= -0.058325 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427996 ETOT(band)= -0.468063 trlgG= -0.588030 logG= -0.058325 TDE= -0.341814 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011139 tlogG= -0.047714 logG= -0.058853 Density= 0.430775 ETOT(band)= -0.467406 trlgG= -0.589558 logG= -0.058853 TDE= -0.342679 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005310 logG= -0.006562 logGD-logG0= -0.005448 tlogG= -0.023810 logG= -0.029258 Density= 0.081494 ETOT(band)= -0.085676 trlgG= -0.106371 logG= -0.006562 TDE= -0.042450 Density= 0.215178 ETOT(band)= -0.233730 trlgG= -0.294600 logG= -0.029258 TDE= -0.171377 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010693 tlogG= -0.046954 logG= -0.057647 Density= 0.429575 ETOT(band)= -0.466404 trlgG= -0.585065 logG= -0.057647 TDE= -0.341524 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.024010 logG= -0.029388 Density= 0.216190 ETOT(band)= -0.233311 trlgG= -0.294779 logG= -0.029388 TDE= -0.171547 logGD-logG0= -0.005022 tlogG= -0.022339 logG= -0.027360 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322644 ETOT(band)= -0.347927 trlgG= -0.434650 logG= -0.027360 TDE= -0.170202 logGD-logG0= -0.011092 tlogG= -0.047293 logG= -0.058385 Density= 0.430170 ETOT(band)= -0.467034 trlgG= -0.587723 logG= -0.058385 TDE= -0.342188 logGD-logG0= -0.005264 tlogG= -0.023857 logG= -0.029121 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215338 ETOT(band)= -0.233726 trlgG= -0.294702 logG= -0.029121 TDE= -0.171065 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005414 tlogG= -0.024012 logG= -0.029427 logGD-logG0= -0.005104 tlogG= -0.022484 logG= -0.027588 Density= 0.215527 ETOT(band)= -0.233826 trlgG= -0.295254 logG= -0.029427 TDE= -0.171530 Density= 0.214873 ETOT(band)= -0.231626 trlgG= -0.288466 logG= -0.027588 TDE= -0.170134 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.022451 logG= -0.027757 logGD-logG0= -0.005208 tlogG= -0.024168 logG= -0.029376 Density= 0.216209 ETOT(band)= -0.231254 trlgG= -0.289030 logG= -0.027757 TDE= -0.170520 Density= 0.214589 ETOT(band)= -0.234132 trlgG= -0.294955 logG= -0.029376 TDE= -0.171190 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005440 tlogG= -0.023495 logG= -0.028935 Density= 0.215060 ETOT(band)= -0.233293 trlgG= -0.293335 logG= -0.028935 TDE= -0.171120 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.023773 logG= -0.029163 Density= 0.216115 ETOT(band)= -0.233008 trlgG= -0.293841 logG= -0.029163 TDE= -0.171380 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.023895 logG= -0.029001 Density= 0.213644 ETOT(band)= -0.233969 trlgG= -0.293427 logG= -0.029001 TDE= -0.170746 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.023255 logG= -0.028227 Density= 0.213359 ETOT(band)= -0.233571 trlgG= -0.292644 logG= -0.028227 TDE= -0.170698 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.023984 logG= -0.028751 Density= 0.212672 ETOT(band)= -0.234226 trlgG= -0.293912 logG= -0.028751 TDE= -0.170787 logGD-logG0= -0.005509 tlogG= -0.024133 logG= -0.029642 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215559 ETOT(band)= -0.233982 trlgG= -0.295669 logG= -0.029642 TDE= -0.171562 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005438 tlogG= -0.024096 logG= -0.029535 logGD-logG0= -0.005556 tlogG= -0.023909 logG= -0.029465 Density= 0.322826 ETOT(band)= -0.351145 trlgG= -0.443311 logG= -0.029535 TDE= -0.171375 Density= 0.215487 ETOT(band)= -0.233728 trlgG= -0.294981 logG= -0.029465 TDE= -0.171385 logGD-logG0= -0.005176 tlogG= -0.021363 logG= -0.026539 Density= 0.216854 ETOT(band)= -0.229149 trlgG= -0.284708 logG= -0.026539 TDE= -0.169849 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011071 tlogG= -0.048064 logG= -0.059134 Density= 0.323010 ETOT(band)= -0.350938 trlgG= -0.443008 logG= -0.059134 TDE= -0.342926 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023257 logG= -0.028474 logGD-logG0= -0.005024 tlogG= -0.023847 logG= -0.028872 Density= 0.321479 ETOT(band)= -0.350510 trlgG= -0.440253 logG= -0.028474 TDE= -0.170807 Density= 0.213430 ETOT(band)= -0.234106 trlgG= -0.294165 logG= -0.028872 TDE= -0.171002 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005604 tlogG= -0.023695 logG= -0.029299 logGD-logG0= -0.010059 tlogG= -0.046628 logG= -0.056687 Density= 0.322477 ETOT(band)= -0.348960 trlgG= -0.437042 logG= -0.056687 TDE= -0.341518 Density= 0.215251 ETOT(band)= -0.233579 trlgG= -0.294281 logG= -0.029299 TDE= -0.171208 logGD-logG0= -0.004840 tlogG= -0.023382 logG= -0.028222 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214038 ETOT(band)= -0.233332 trlgG= -0.292760 logG= -0.028222 TDE= -0.170862 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023207 logG= -0.028564 Density= 0.214717 ETOT(band)= -0.232918 trlgG= -0.291642 logG= -0.028564 TDE= -0.170570 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.021218 logG= -0.026352 Density= 0.216185 ETOT(band)= -0.230007 trlgG= -0.285963 logG= -0.026352 TDE= -0.169755 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005624 tlogG= -0.023367 logG= -0.028991 Density= 0.214953 ETOT(band)= -0.233319 trlgG= -0.293139 logG= -0.028991 TDE= -0.170914 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010692 tlogG= -0.047980 logG= -0.058672 logGD-logG0= -0.009824 tlogG= -0.046736 logG= -0.056560 Density= 0.427607 ETOT(band)= -0.466046 trlgG= -0.582685 logG= -0.056560 TDE= -0.341126 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428901 ETOT(band)= -0.468158 trlgG= -0.589113 logG= -0.058672 TDE= -0.342056 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009337 tlogG= -0.048118 logG= -0.057455 Density= 0.425263 ETOT(band)= -0.468249 trlgG= -0.587308 logG= -0.057455 TDE= -0.341688 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.021313 logG= -0.026406 Density= 0.162524 ETOT(band)= -0.172964 trlgG= -0.216238 logG= -0.026406 TDE= -0.169836 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010866 tlogG= -0.048095 logG= -0.058961 Density= 0.429834 ETOT(band)= -0.468035 trlgG= -0.589910 logG= -0.058961 TDE= -0.342555 logGD-logG0= -0.010656 tlogG= -0.048245 logG= -0.058902 Density= 0.429728 ETOT(band)= -0.468205 trlgG= -0.590238 logG= -0.058902 TDE= -0.342430 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010195 tlogG= -0.047877 logG= -0.058072 logGD-logG0= -0.011033 tlogG= -0.047754 logG= -0.058787 Density= 0.430437 ETOT(band)= -0.467461 trlgG= -0.589197 logG= -0.058787 TDE= -0.342572 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010027 tlogG= -0.047675 logG= -0.057701 Density= 0.426390 ETOT(band)= -0.468283 trlgG= -0.587825 logG= -0.057701 TDE= -0.341703 Density= 0.428834 ETOT(band)= -0.467859 trlgG= -0.588678 logG= -0.058072 TDE= -0.342161 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009981 tlogG= -0.047794 logG= -0.057774 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426891 ETOT(band)= -0.467835 trlgG= -0.586678 logG= -0.057774 TDE= -0.341406 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.023967 logG= -0.029338 Density= 0.216224 ETOT(band)= -0.233207 trlgG= -0.294546 logG= -0.029338 TDE= -0.171521 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023426 logG= -0.028823 Density= 0.216036 ETOT(band)= -0.232627 trlgG= -0.292633 logG= -0.028823 TDE= -0.171141 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010308 tlogG= -0.046423 logG= -0.056731 Density= 0.429232 ETOT(band)= -0.465483 trlgG= -0.582370 logG= -0.056731 TDE= -0.341239 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010376 tlogG= -0.047582 logG= -0.057958 Density= 0.428312 ETOT(band)= -0.467407 trlgG= -0.587070 logG= -0.057958 TDE= -0.341859 logGD-logG0= -0.011064 tlogG= -0.048040 logG= -0.059103 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431014 ETOT(band)= -0.467689 trlgG= -0.590553 logG= -0.059103 TDE= -0.342944 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.047594 logG= -0.058212 Density= 0.429702 ETOT(band)= -0.467052 trlgG= -0.586998 logG= -0.058212 TDE= -0.341969 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010341 tlogG= -0.044646 logG= -0.054987 Density= 0.324048 ETOT(band)= -0.346627 trlgG= -0.432595 logG= -0.054987 TDE= -0.340686 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005622 logG= -0.006907 Density= 0.080779 ETOT(band)= -0.086955 trlgG= -0.108768 logG= -0.006907 TDE= -0.042658 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023968 logG= -0.029236 Density= 0.214191 ETOT(band)= -0.234058 trlgG= -0.294338 logG= -0.029236 TDE= -0.171017 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.024018 logG= -0.028947 Density= 0.213974 ETOT(band)= -0.234047 trlgG= -0.294557 logG= -0.028947 TDE= -0.171184 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010190 tlogG= -0.044648 logG= -0.054837 Density= 0.431294 ETOT(band)= -0.462015 trlgG= -0.575586 logG= -0.054837 TDE= -0.340324 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005368 tlogG= -0.022979 logG= -0.028347 Density= 0.216064 ETOT(band)= -0.232052 trlgG= -0.291016 logG= -0.028347 TDE= -0.170854 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005471 logG= -0.006742 Density= 0.081139 ETOT(band)= -0.086343 trlgG= -0.107530 logG= -0.006742 TDE= -0.042561 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004981 tlogG= -0.022338 logG= -0.027319 Density= 0.214878 ETOT(band)= -0.231915 trlgG= -0.289513 logG= -0.027319 TDE= -0.170208 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.770632723009 eV TrLogG= -407.758380776566 eV Ratio to renormalize= 1.000739458873 rho-rho_expected=-0.016256074513 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964779666948335 0.940656690178029 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004509 tlogG= -0.024097 logG= -0.028606 logGD-logG0= -0.004807 tlogG= -0.023250 logG= -0.028057 Density= 0.106688 ETOT(band)= -0.116684 trlgG= -0.145796 logG= -0.028057 TDE= -0.170533 Density= 0.106071 ETOT(band)= -0.117229 trlgG= -0.147119 logG= -0.028606 TDE= -0.171002 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.023544 logG= -0.028466 Density= 0.106725 ETOT(band)= -0.116876 trlgG= -0.146280 logG= -0.028466 TDE= -0.170627 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007008 logG= -0.008689 Density= 0.036178 ETOT(band)= -0.038147 trlgG= -0.047355 logG= -0.008689 TDE= -0.056568 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001750 tlogG= -0.007319 logG= -0.009070 Density= 0.035827 ETOT(band)= -0.038596 trlgG= -0.048017 logG= -0.009070 TDE= -0.056676 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005075 tlogG= -0.021615 logG= -0.026690 Density= 0.108459 ETOT(band)= -0.114941 trlgG= -0.143147 logG= -0.026690 TDE= -0.170128 logGD-logG0= -0.004993 tlogG= -0.021039 logG= -0.026033 Density= 0.108655 ETOT(band)= -0.114353 trlgG= -0.141988 logG= -0.026033 TDE= -0.169723 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005186 tlogG= -0.021743 logG= -0.026929 Density= 0.107880 ETOT(band)= -0.115404 trlgG= -0.143580 logG= -0.026929 TDE= -0.170036 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002416 tlogG= -0.011909 logG= -0.014325 Density= 0.053537 ETOT(band)= -0.058433 trlgG= -0.073430 logG= -0.014325 TDE= -0.085598 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.022221 logG= -0.027349 Density= 0.108306 ETOT(band)= -0.115492 trlgG= -0.144278 logG= -0.027349 TDE= -0.170525 logGD-logG0= -0.004734 tlogG= -0.024090 logG= -0.028824 Density= 0.106341 ETOT(band)= -0.117217 trlgG= -0.147127 logG= -0.028824 TDE= -0.170926 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.022787 logG= -0.027993 Density= 0.108197 ETOT(band)= -0.115935 trlgG= -0.145324 logG= -0.027993 TDE= -0.170872 logGD-logG0= -0.005470 tlogG= -0.023733 logG= -0.029203 Density= 0.107184 ETOT(band)= -0.117066 trlgG= -0.147177 logG= -0.029203 TDE= -0.171014 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023684 logG= -0.028874 Density= 0.106931 ETOT(band)= -0.116994 trlgG= -0.146626 logG= -0.028874 TDE= -0.170667 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023737 logG= -0.028627 Density= 0.106927 ETOT(band)= -0.116905 trlgG= -0.146816 logG= -0.028627 TDE= -0.171102 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.024120 logG= -0.029183 Density= 0.107009 ETOT(band)= -0.117159 trlgG= -0.147494 logG= -0.029183 TDE= -0.171263 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000203 tlogG= -0.000855 logG= -0.001057 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005865 logG= -0.001057 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002694 tlogG= -0.012056 logG= -0.014751 Density= 0.053739 ETOT(band)= -0.058565 trlgG= -0.073850 logG= -0.014751 TDE= -0.085692 logGD-logG0= -0.002422 tlogG= -0.011473 logG= -0.013894 Density= 0.053712 ETOT(band)= -0.058101 trlgG= -0.072664 logG= -0.013894 TDE= -0.085348 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002512 tlogG= -0.012107 logG= -0.014619 Density= 0.053560 ETOT(band)= -0.058577 trlgG= -0.073792 logG= -0.014619 TDE= -0.085678 logGD-logG0= -0.001547 tlogG= -0.007826 logG= -0.009374 Density= 0.035476 ETOT(band)= -0.038946 trlgG= -0.048717 logG= -0.009374 TDE= -0.056898 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001467 tlogG= -0.008060 logG= -0.009527 Density= 0.035298 ETOT(band)= -0.039098 trlgG= -0.049082 logG= -0.009527 TDE= -0.057022 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.023485 logG= -0.028805 Density= 0.108081 ETOT(band)= -0.116442 trlgG= -0.146611 logG= -0.028805 TDE= -0.171291 logGD-logG0= -0.005210 tlogG= -0.022510 logG= -0.027720 Density= 0.108151 ETOT(band)= -0.115798 trlgG= -0.144887 logG= -0.027720 TDE= -0.170686 logGD-logG0= -0.002645 tlogG= -0.012011 logG= -0.014657 Density= 0.054113 ETOT(band)= -0.058327 trlgG= -0.073710 logG= -0.014657 TDE= -0.085831 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.023818 logG= -0.029143 Density= 0.108128 ETOT(band)= -0.116604 trlgG= -0.147147 logG= -0.029143 TDE= -0.171512 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002715 tlogG= -0.012016 logG= -0.014731 Density= 0.053959 ETOT(band)= -0.058448 trlgG= -0.073833 logG= -0.014731 TDE= -0.085803 logGD-logG0= -0.004535 tlogG= -0.024020 logG= -0.028556 Density= 0.106122 ETOT(band)= -0.117185 trlgG= -0.147006 logG= -0.028556 TDE= -0.170965 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005465 tlogG= -0.024119 logG= -0.029583 Density= 0.107595 ETOT(band)= -0.117132 trlgG= -0.147846 logG= -0.029583 TDE= -0.171506 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.024005 logG= -0.029316 logGD-logG0= -0.005044 tlogG= -0.022898 logG= -0.027942 Density= 0.108179 ETOT(band)= -0.116678 trlgG= -0.147426 logG= -0.029316 TDE= -0.171642 Density= 0.107697 ETOT(band)= -0.116154 trlgG= -0.145253 logG= -0.027942 TDE= -0.170605 logGD-logG0= -0.005279 tlogG= -0.023036 logG= -0.028315 Density= 0.108084 ETOT(band)= -0.116171 trlgG= -0.145836 logG= -0.028315 TDE= -0.171007 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.023712 logG= -0.028581 logGD-logG0= -0.005413 tlogG= -0.024016 logG= -0.029429 Density= 0.106550 ETOT(band)= -0.117023 trlgG= -0.146712 logG= -0.028581 TDE= -0.170858 logGD-logG0= -0.005464 tlogG= -0.024144 logG= -0.029607 Density= 0.107396 ETOT(band)= -0.117118 trlgG= -0.147572 logG= -0.029429 TDE= -0.171288 logGD-logG0= -0.005496 tlogG= -0.023949 logG= -0.029446 logGD-logG0= -0.005271 tlogG= -0.023269 logG= -0.028541 Density= 0.108143 ETOT(band)= -0.116265 trlgG= -0.146192 logG= -0.028541 TDE= -0.171166 Density= 0.107703 ETOT(band)= -0.116998 trlgG= -0.147630 logG= -0.029446 TDE= -0.171481 Density= 0.107839 ETOT(band)= -0.117040 trlgG= -0.147909 logG= -0.029607 TDE= -0.171666 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023660 logG= -0.028961 logGD-logG0= -0.005192 tlogG= -0.022456 logG= -0.027648 Density= 0.107584 ETOT(band)= -0.116025 trlgG= -0.144767 logG= -0.027648 TDE= -0.170357 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005497 tlogG= -0.024190 logG= -0.029687 Density= 0.107763 ETOT(band)= -0.117128 trlgG= -0.148035 logG= -0.029687 TDE= -0.171674 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108153 ETOT(band)= -0.116488 trlgG= -0.146856 logG= -0.028961 TDE= -0.171415 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004893 tlogG= -0.023034 logG= -0.027927 Density= 0.106824 ETOT(band)= -0.116553 trlgG= -0.145532 logG= -0.027927 TDE= -0.170466 logGD-logG0= -0.005096 tlogG= -0.023934 logG= -0.029030 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106710 ETOT(band)= -0.117178 trlgG= -0.147240 logG= -0.029030 TDE= -0.171015 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.022922 logG= -0.028215 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107566 ETOT(band)= -0.116359 trlgG= -0.145666 logG= -0.028215 TDE= -0.170679 logGD-logG0= -0.005486 tlogG= -0.023243 logG= -0.028728 Density= 0.107634 ETOT(band)= -0.116608 trlgG= -0.146476 logG= -0.028728 TDE= -0.171011 logGD-logG0= -0.005013 tlogG= -0.023737 logG= -0.028750 logGD-logG0= -0.005178 tlogG= -0.024142 logG= -0.029319 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107330 ETOT(band)= -0.116786 trlgG= -0.146723 logG= -0.028750 TDE= -0.171086 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107332 ETOT(band)= -0.117097 trlgG= -0.147466 logG= -0.029319 TDE= -0.171260 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.022902 logG= -0.027821 Density= 0.107247 ETOT(band)= -0.116299 trlgG= -0.145380 logG= -0.027821 TDE= -0.170630 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005438 tlogG= -0.024115 logG= -0.029553 Density= 0.107898 ETOT(band)= -0.116972 trlgG= -0.147819 logG= -0.029553 TDE= -0.171660 logGD-logG0= -0.005449 tlogG= -0.023926 logG= -0.029375 Density= 0.107867 ETOT(band)= -0.116865 trlgG= -0.147521 logG= -0.029375 TDE= -0.171524 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.023926 logG= -0.029224 Density= 0.108199 ETOT(band)= -0.116614 trlgG= -0.147276 logG= -0.029224 TDE= -0.171595 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010151 tlogG= -0.048344 logG= -0.058495 logGD-logG0= -0.005487 tlogG= -0.023635 logG= -0.029122 logGD-logG0= -0.009830 tlogG= -0.045859 logG= -0.055688 Density= 0.214918 ETOT(band)= -0.232432 trlgG= -0.290660 logG= -0.055688 TDE= -0.341324 logGD-logG0= -0.010014 tlogG= -0.047261 logG= -0.057275 Density= 0.107751 ETOT(band)= -0.116769 trlgG= -0.147106 logG= -0.029122 TDE= -0.171305 Density= 0.214307 ETOT(band)= -0.234276 trlgG= -0.295061 logG= -0.058495 TDE= -0.342616 logGD-logG0= -0.002488 tlogG= -0.010451 logG= -0.012939 Density= 0.213671 ETOT(band)= -0.233869 trlgG= -0.293484 logG= -0.057275 TDE= -0.341945 Density= 0.054351 ETOT(band)= -0.057103 trlgG= -0.070854 logG= -0.012939 TDE= -0.084811 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.045690 logG= -0.055799 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214265 ETOT(band)= -0.232782 trlgG= -0.290839 logG= -0.055799 TDE= -0.341069 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010191 tlogG= -0.047240 logG= -0.057431 Density= 0.213683 ETOT(band)= -0.233913 trlgG= -0.293275 logG= -0.057431 TDE= -0.341586 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009920 tlogG= -0.048017 logG= -0.057936 Density= 0.213179 ETOT(band)= -0.234378 trlgG= -0.294204 logG= -0.057936 TDE= -0.341759 logGD-logG0= -0.010296 tlogG= -0.048002 logG= -0.058298 Density= 0.213875 ETOT(band)= -0.234314 trlgG= -0.294750 logG= -0.058298 TDE= -0.342289 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009485 tlogG= -0.047721 logG= -0.057206 Density= 0.212832 ETOT(band)= -0.234168 trlgG= -0.293556 logG= -0.057206 TDE= -0.341670 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010874 tlogG= -0.047845 logG= -0.058719 logGD-logG0= -0.010679 tlogG= -0.048076 logG= -0.058755 logGD-logG0= -0.010829 tlogG= -0.048179 logG= -0.059008 Density= 0.214663 ETOT(band)= -0.234199 trlgG= -0.294898 logG= -0.058719 TDE= -0.342405 Density= 0.214979 ETOT(band)= -0.234108 trlgG= -0.294992 logG= -0.058755 TDE= -0.342619 logGD-logG0= -0.010739 tlogG= -0.047885 logG= -0.058624 Density= 0.214562 ETOT(band)= -0.234193 trlgG= -0.294729 logG= -0.058624 TDE= -0.342281 Density= 0.214977 ETOT(band)= -0.234253 trlgG= -0.295408 logG= -0.059008 TDE= -0.342781 logGD-logG0= -0.010912 tlogG= -0.048112 logG= -0.059024 Density= 0.215013 ETOT(band)= -0.234244 trlgG= -0.295436 logG= -0.059024 TDE= -0.342812 logGD-logG0= -0.009786 tlogG= -0.047548 logG= -0.057334 Density= 0.214215 ETOT(band)= -0.233699 trlgG= -0.293613 logG= -0.057334 TDE= -0.342283 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010543 tlogG= -0.047756 logG= -0.058298 Density= 0.213856 ETOT(band)= -0.234301 trlgG= -0.294502 logG= -0.058298 TDE= -0.342031 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002551 tlogG= -0.010865 logG= -0.013416 logGD-logG0= -0.010948 tlogG= -0.047641 logG= -0.058589 logGD-logG0= -0.010974 tlogG= -0.046974 logG= -0.057948 Density= 0.215333 ETOT(band)= -0.233461 trlgG= -0.293733 logG= -0.057948 TDE= -0.342343 logGD-logG0= -0.010773 tlogG= -0.047399 logG= -0.058172 Density= 0.214168 ETOT(band)= -0.234093 trlgG= -0.293978 logG= -0.058172 TDE= -0.341786 Density= 0.215605 ETOT(band)= -0.233698 trlgG= -0.294775 logG= -0.058589 TDE= -0.342877 logGD-logG0= -0.010534 tlogG= -0.046508 logG= -0.057041 Density= 0.215118 ETOT(band)= -0.233071 trlgG= -0.292289 logG= -0.057041 TDE= -0.341699 logGD-logG0= -0.010873 tlogG= -0.048054 logG= -0.058927 Density= 0.215801 ETOT(band)= -0.233815 trlgG= -0.295337 logG= -0.058927 TDE= -0.343199 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010421 tlogG= -0.048128 logG= -0.058549 Density= 0.054037 ETOT(band)= -0.057621 trlgG= -0.071702 logG= -0.013416 TDE= -0.085027 Density= 0.214437 ETOT(band)= -0.234223 trlgG= -0.294809 logG= -0.058549 TDE= -0.342374 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010216 tlogG= -0.045746 logG= -0.055963 Density= 0.215050 ETOT(band)= -0.232507 trlgG= -0.290651 logG= -0.055963 TDE= -0.341106 logGD-logG0= -0.011025 tlogG= -0.048242 logG= -0.059268 Density= 0.215329 ETOT(band)= -0.234270 trlgG= -0.295874 logG= -0.059268 TDE= -0.343162 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010929 tlogG= -0.048003 logG= -0.058932 Density= 0.215672 ETOT(band)= -0.233888 trlgG= -0.295341 logG= -0.058932 TDE= -0.343134 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010934 tlogG= -0.047515 logG= -0.058449 Density= 0.215372 ETOT(band)= -0.233739 trlgG= -0.294536 logG= -0.058449 TDE= -0.342663 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010143 tlogG= -0.047324 logG= -0.057466 Density= 0.214381 ETOT(band)= -0.233660 trlgG= -0.293385 logG= -0.057466 TDE= -0.342005 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010446 tlogG= -0.047248 logG= -0.057694 logGD-logG0= -0.004615 tlogG= -0.023785 logG= -0.028400 Density= 0.212992 ETOT(band)= -0.233717 trlgG= -0.292434 logG= -0.028400 TDE= -0.170843 Density= 0.215055 ETOT(band)= -0.233473 trlgG= -0.293308 logG= -0.057694 TDE= -0.342034 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.021926 logG= -0.027088 Density= 0.108270 ETOT(band)= -0.115308 trlgG= -0.143828 logG= -0.027088 TDE= -0.170317 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001632 tlogG= -0.007603 logG= -0.009235 Density= 0.071464 ETOT(band)= -0.077391 trlgG= -0.096376 logG= -0.009235 TDE= -0.056759 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.021866 logG= -0.027112 Density= 0.107737 ETOT(band)= -0.115597 trlgG= -0.143890 logG= -0.027112 TDE= -0.170092 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004787 tlogG= -0.023934 logG= -0.028721 Density= 0.213187 ETOT(band)= -0.233994 trlgG= -0.293164 logG= -0.028721 TDE= -0.170845 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004483 tlogG= -0.024177 logG= -0.028660 Density= 0.212079 ETOT(band)= -0.234508 trlgG= -0.294363 logG= -0.028660 TDE= -0.171041 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001749 tlogG= -0.007134 logG= -0.008883 logGD-logG0= -0.010366 tlogG= -0.043485 logG= -0.053851 Density= 0.072194 ETOT(band)= -0.076522 trlgG= -0.095058 logG= -0.008883 TDE= -0.056643 Density= 0.216172 ETOT(band)= -0.230598 trlgG= -0.287135 logG= -0.053851 TDE= -0.340257 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005249 tlogG= -0.021931 logG= -0.027180 Density= 0.216520 ETOT(band)= -0.230415 trlgG= -0.287140 logG= -0.027180 TDE= -0.170286 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005158 tlogG= -0.021402 logG= -0.026561 Density= 0.216913 ETOT(band)= -0.229306 trlgG= -0.284931 logG= -0.026561 TDE= -0.169954 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005117 tlogG= -0.021257 logG= -0.026374 Density= 0.216241 ETOT(band)= -0.230167 trlgG= -0.286191 logG= -0.026374 TDE= -0.169860 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001301 tlogG= -0.005761 logG= -0.007062 Density= 0.080599 ETOT(band)= -0.087446 trlgG= -0.109861 logG= -0.007062 TDE= -0.042762 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.022490 logG= -0.027780 logGD-logG0= -0.005256 tlogG= -0.024007 logG= -0.029263 Density= 0.214246 ETOT(band)= -0.234227 trlgG= -0.294586 logG= -0.029263 TDE= -0.171126 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216267 ETOT(band)= -0.231414 trlgG= -0.289262 logG= -0.027780 TDE= -0.170627 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004762 tlogG= -0.024017 logG= -0.028779 logGD-logG0= -0.005350 tlogG= -0.023022 logG= -0.028372 Density= 0.216124 ETOT(band)= -0.232212 trlgG= -0.291250 logG= -0.028372 TDE= -0.170963 Density= 0.212715 ETOT(band)= -0.234405 trlgG= -0.294160 logG= -0.028779 TDE= -0.170893 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.023924 logG= -0.029028 Density= 0.213694 ETOT(band)= -0.234141 trlgG= -0.293678 logG= -0.029028 TDE= -0.170856 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.024057 logG= -0.028974 logGD-logG0= -0.004827 tlogG= -0.023421 logG= -0.028248 Density= 0.214087 ETOT(band)= -0.233504 trlgG= -0.293006 logG= -0.028248 TDE= -0.170971 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214026 ETOT(band)= -0.234218 trlgG= -0.294803 logG= -0.028974 TDE= -0.171293 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005632 logG= -0.006912 Density= 0.080800 ETOT(band)= -0.087017 trlgG= -0.108856 logG= -0.006912 TDE= -0.042685 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001320 tlogG= -0.005953 logG= -0.007272 Density= 0.080796 ETOT(band)= -0.087696 trlgG= -0.110615 logG= -0.007272 TDE= -0.042882 logGD-logG0= -0.001315 tlogG= -0.005869 logG= -0.007184 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080612 ETOT(band)= -0.087662 trlgG= -0.110417 logG= -0.007184 TDE= -0.042827 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001318 tlogG= -0.005997 logG= -0.007315 Density= 0.081024 ETOT(band)= -0.087599 trlgG= -0.110666 logG= -0.007315 TDE= -0.042912 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.024057 logG= -0.029451 Density= 0.215591 ETOT(band)= -0.233988 trlgG= -0.295496 logG= -0.029451 TDE= -0.171641 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001493 tlogG= -0.007981 logG= -0.009474 logGD-logG0= -0.005377 tlogG= -0.023470 logG= -0.028847 Density= 0.216099 ETOT(band)= -0.232786 trlgG= -0.292868 logG= -0.028847 TDE= -0.171251 Density= 0.070835 ETOT(band)= -0.077994 trlgG= -0.097677 logG= -0.009474 TDE= -0.056983 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004958 tlogG= -0.023295 logG= -0.028253 Density= 0.213404 ETOT(band)= -0.233746 trlgG= -0.292895 logG= -0.028253 TDE= -0.170807 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005012 tlogG= -0.023887 logG= -0.028899 Density= 0.213479 ETOT(band)= -0.234281 trlgG= -0.294416 logG= -0.028899 TDE= -0.171112 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.024055 logG= -0.029412 Density= 0.216258 ETOT(band)= -0.233469 trlgG= -0.295013 logG= -0.029412 TDE= -0.171658 logGD-logG0= -0.005428 tlogG= -0.023855 logG= -0.029283 Density= 0.215239 ETOT(band)= -0.233894 trlgG= -0.294839 logG= -0.029283 TDE= -0.171488 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005616 tlogG= -0.023401 logG= -0.029016 Density= 0.215011 ETOT(band)= -0.233484 trlgG= -0.293383 logG= -0.029016 TDE= -0.171026 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005431 tlogG= -0.023529 logG= -0.028959 logGD-logG0= -0.005353 tlogG= -0.023238 logG= -0.028590 Density= 0.215118 ETOT(band)= -0.233458 trlgG= -0.293575 logG= -0.028959 TDE= -0.171231 Density= 0.214771 ETOT(band)= -0.233085 trlgG= -0.291887 logG= -0.028590 TDE= -0.170682 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023893 logG= -0.029147 logGD-logG0= -0.005488 tlogG= -0.024179 logG= -0.029667 Density= 0.215624 ETOT(band)= -0.234144 trlgG= -0.295913 logG= -0.029667 TDE= -0.171674 Density= 0.215400 ETOT(band)= -0.233890 trlgG= -0.294945 logG= -0.029147 TDE= -0.171177 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.024056 logG= -0.029006 Density= 0.321424 ETOT(band)= -0.351307 trlgG= -0.442348 logG= -0.029006 TDE= -0.171288 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010744 tlogG= -0.047897 logG= -0.058641 Density= 0.324205 ETOT(band)= -0.350108 trlgG= -0.442018 logG= -0.058641 TDE= -0.343156 logGD-logG0= -0.004670 tlogG= -0.023632 logG= -0.028302 logGD-logG0= -0.010531 tlogG= -0.045722 logG= -0.056253 Density= 0.323893 ETOT(band)= -0.348139 trlgG= -0.435960 logG= -0.056253 TDE= -0.341579 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.024207 logG= -0.029403 Density= 0.212525 ETOT(band)= -0.234126 trlgG= -0.293411 logG= -0.028302 TDE= -0.170758 Density= 0.214647 ETOT(band)= -0.234299 trlgG= -0.295201 logG= -0.029403 TDE= -0.171299 logGD-logG0= -0.010790 tlogG= -0.047346 logG= -0.058136 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323986 ETOT(band)= -0.349740 trlgG= -0.440670 logG= -0.058136 TDE= -0.342763 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011040 tlogG= -0.048146 logG= -0.059186 logGD-logG0= -0.005207 tlogG= -0.023292 logG= -0.028499 Density= 0.321560 ETOT(band)= -0.350764 trlgG= -0.440620 logG= -0.028499 TDE= -0.170917 logGD-logG0= -0.001229 tlogG= -0.005184 logG= -0.006412 Density= 0.062511 ETOT(band)= -0.067583 trlgG= -0.084402 logG= -0.006412 TDE= -0.042374 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323105 ETOT(band)= -0.351183 trlgG= -0.443375 logG= -0.059186 TDE= -0.343151 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004859 tlogG= -0.023417 logG= -0.028276 Density= 0.321491 ETOT(band)= -0.350257 trlgG= -0.439766 logG= -0.028276 TDE= -0.170962 logGD-logG0= -0.005370 tlogG= -0.023817 logG= -0.029187 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216180 ETOT(band)= -0.233166 trlgG= -0.294075 logG= -0.029187 TDE= -0.171490 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001637 tlogG= -0.006891 logG= -0.008528 Density= 0.040827 ETOT(band)= -0.042697 trlgG= -0.052919 logG= -0.008528 TDE= -0.056482 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005536 tlogG= -0.023955 logG= -0.029490 Density= 0.215550 ETOT(band)= -0.233890 trlgG= -0.295222 logG= -0.029490 TDE= -0.171497 logGD-logG0= -0.010035 tlogG= -0.046703 logG= -0.056738 Density= 0.322558 ETOT(band)= -0.349209 trlgG= -0.437400 logG= -0.056738 TDE= -0.341733 logGD-logG0= -0.005429 tlogG= -0.024131 logG= -0.029561 Density= 0.322920 ETOT(band)= -0.351392 trlgG= -0.443681 logG= -0.029561 TDE= -0.171488 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005521 tlogG= -0.024014 logG= -0.029535 Density= 0.323518 ETOT(band)= -0.350854 trlgG= -0.443114 logG= -0.029535 TDE= -0.171546 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.022948 logG= -0.028097 Density= 0.214698 ETOT(band)= -0.232530 trlgG= -0.290352 logG= -0.028097 TDE= -0.170493 logGD-logG0= -0.005222 tlogG= -0.024212 logG= -0.029434 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322299 ETOT(band)= -0.351419 trlgG= -0.443027 logG= -0.029434 TDE= -0.171293 logGD-logG0= -0.010789 tlogG= -0.046523 logG= -0.057313 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323848 ETOT(band)= -0.349084 trlgG= -0.438583 logG= -0.057313 TDE= -0.342205 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005584 tlogG= -0.023741 logG= -0.029324 logGD-logG0= -0.009995 tlogG= -0.047940 logG= -0.057935 Density= 0.427849 ETOT(band)= -0.468421 trlgG= -0.589192 logG= -0.057935 TDE= -0.342392 Density= 0.215312 ETOT(band)= -0.233742 trlgG= -0.294524 logG= -0.029324 TDE= -0.171320 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010614 tlogG= -0.047765 logG= -0.058379 Density= 0.428103 ETOT(band)= -0.468403 trlgG= -0.588523 logG= -0.058379 TDE= -0.342033 logGD-logG0= -0.001267 tlogG= -0.005481 logG= -0.006748 Density= 0.081160 ETOT(band)= -0.086403 trlgG= -0.107615 logG= -0.006748 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.048248 logG= -0.058748 Density= 0.429113 ETOT(band)= -0.468532 trlgG= -0.589963 logG= -0.058748 TDE= -0.342437 logGD-logG0= -0.009812 tlogG= -0.046801 logG= -0.056613 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427700 ETOT(band)= -0.466391 trlgG= -0.583179 logG= -0.056613 TDE= -0.341345 logGD-logG0= -0.009854 tlogG= -0.046707 logG= -0.056561 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427905 ETOT(band)= -0.467115 trlgG= -0.585791 logG= -0.056561 TDE= -0.341760 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011098 tlogG= -0.047806 logG= -0.058904 Density= 0.430901 ETOT(band)= -0.467730 trlgG= -0.590043 logG= -0.058904 TDE= -0.342904 logGD-logG0= -0.010670 tlogG= -0.048055 logG= -0.058725 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429016 ETOT(band)= -0.468494 trlgG= -0.589612 logG= -0.058725 TDE= -0.342280 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009326 tlogG= -0.048186 logG= -0.057511 Density= 0.425348 ETOT(band)= -0.468608 trlgG= -0.587807 logG= -0.057511 TDE= -0.341904 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.048319 logG= -0.058954 Density= 0.429848 ETOT(band)= -0.468536 trlgG= -0.590735 logG= -0.058954 TDE= -0.342656 logGD-logG0= -0.005076 tlogG= -0.021352 logG= -0.026428 Density= 0.162570 ETOT(band)= -0.173082 trlgG= -0.216408 logG= -0.026428 TDE= -0.169940 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.047027 logG= -0.057699 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429686 ETOT(band)= -0.466736 trlgG= -0.585556 logG= -0.057699 TDE= -0.341747 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009974 tlogG= -0.047855 logG= -0.057829 logGD-logG0= -0.010021 tlogG= -0.047735 logG= -0.057756 Density= 0.426485 ETOT(band)= -0.468635 trlgG= -0.588329 logG= -0.057756 TDE= -0.341924 logGD-logG0= -0.010847 tlogG= -0.048167 logG= -0.059014 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429954 ETOT(band)= -0.468366 trlgG= -0.590406 logG= -0.059014 TDE= -0.342781 Density= 0.426988 ETOT(band)= -0.468183 trlgG= -0.587176 logG= -0.057829 TDE= -0.341625 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011073 tlogG= -0.047363 logG= -0.058436 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430289 ETOT(band)= -0.467362 trlgG= -0.588211 logG= -0.058436 TDE= -0.342412 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011015 tlogG= -0.047823 logG= -0.058839 Density= 0.430560 ETOT(band)= -0.467787 trlgG= -0.589686 logG= -0.058839 TDE= -0.342797 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.022376 logG= -0.027384 Density= 0.322722 ETOT(band)= -0.348177 trlgG= -0.435007 logG= -0.027384 TDE= -0.170309 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005350 tlogG= -0.024012 logG= -0.029362 Density= 0.216291 ETOT(band)= -0.233364 trlgG= -0.294780 logG= -0.029362 TDE= -0.171631 logGD-logG0= -0.011022 tlogG= -0.048132 logG= -0.059154 Density= 0.431142 ETOT(band)= -0.468014 trlgG= -0.591039 logG= -0.059154 TDE= -0.343169 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010172 tlogG= -0.047952 logG= -0.058124 Density= 0.428946 ETOT(band)= -0.468196 trlgG= -0.589160 logG= -0.058124 TDE= -0.342377 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047659 logG= -0.058011 logGD-logG0= -0.001247 tlogG= -0.005320 logG= -0.006567 Density= 0.428417 ETOT(band)= -0.467747 trlgG= -0.587557 logG= -0.058011 TDE= -0.342076 Density= 0.081517 ETOT(band)= -0.085734 trlgG= -0.106453 logG= -0.006567 TDE= -0.042476 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004967 tlogG= -0.022376 logG= -0.027343 Density= 0.214928 ETOT(band)= -0.232083 trlgG= -0.289753 logG= -0.027343 TDE= -0.170316 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010284 tlogG= -0.046499 logG= -0.056783 Density= 0.429335 ETOT(band)= -0.465819 trlgG= -0.582850 logG= -0.056783 TDE= -0.341454 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010597 tlogG= -0.047667 logG= -0.058264 Density= 0.429817 ETOT(band)= -0.467384 trlgG= -0.587490 logG= -0.058264 TDE= -0.342193 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010318 tlogG= -0.044717 logG= -0.055034 Density= 0.324131 ETOT(band)= -0.346869 trlgG= -0.432943 logG= -0.055034 TDE= -0.340900 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.022341 logG= -0.027463 Density= 0.214163 ETOT(band)= -0.232571 trlgG= -0.290107 logG= -0.027463 TDE= -0.170229 logGD-logG0= -0.005095 tlogG= -0.022518 logG= -0.027613 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214922 ETOT(band)= -0.231793 trlgG= -0.288705 logG= -0.027613 TDE= -0.170242 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.044722 logG= -0.054885 Density= 0.431401 ETOT(band)= -0.462342 trlgG= -0.576053 logG= -0.054885 TDE= -0.340539 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.002893715863 eV TrLogG= -408.134454788223 eV Ratio to renormalize= 1.000480192609 rho-rho_expected=-0.010559166961 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964768036049430 0.940639405968584 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002326 tlogG= -0.011445 logG= -0.013772 Density= 0.053733 ETOT(band)= -0.058097 trlgG= -0.072529 logG= -0.013772 TDE= -0.085347 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023637 logG= -0.028625 logGD-logG0= -0.005084 tlogG= -0.023210 logG= -0.028294 Density= 0.108192 ETOT(band)= -0.116251 trlgG= -0.145919 logG= -0.028294 TDE= -0.171163 logGD-logG0= -0.005276 tlogG= -0.023679 logG= -0.028955 Density= 0.106971 ETOT(band)= -0.116985 trlgG= -0.146356 logG= -0.028625 TDE= -0.170665 Density= 0.107226 ETOT(band)= -0.117055 trlgG= -0.146905 logG= -0.028955 TDE= -0.171011 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004894 tlogG= -0.023887 logG= -0.028781 logGD-logG0= -0.004869 tlogG= -0.024065 logG= -0.028935 Density= 0.106749 ETOT(band)= -0.117170 trlgG= -0.146969 logG= -0.028781 TDE= -0.171012 Density= 0.107050 ETOT(band)= -0.117149 trlgG= -0.147222 logG= -0.028935 TDE= -0.171261 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.022869 logG= -0.027969 Density= 0.107610 ETOT(band)= -0.116348 trlgG= -0.145395 logG= -0.027969 TDE= -0.170677 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010838 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057615 trlgG= -0.071567 logG= -0.013294 TDE= -0.085025 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011881 logG= -0.014201 Density= 0.053558 ETOT(band)= -0.058428 trlgG= -0.073294 logG= -0.014201 TDE= -0.085597 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014627 Density= 0.053761 ETOT(band)= -0.058560 trlgG= -0.073713 logG= -0.014627 TDE= -0.085690 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 Density= 0.035488 ETOT(band)= -0.038944 trlgG= -0.048628 logG= -0.009292 TDE= -0.056897 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002414 tlogG= -0.012080 logG= -0.014495 Density= 0.053581 ETOT(band)= -0.058572 trlgG= -0.073656 logG= -0.014495 TDE= -0.085676 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.022977 logG= -0.028068 logGD-logG0= -0.001401 tlogG= -0.008044 logG= -0.009444 Density= 0.035309 ETOT(band)= -0.039097 trlgG= -0.048993 logG= -0.009444 TDE= -0.057021 Density= 0.108132 ETOT(band)= -0.116158 trlgG= -0.145563 logG= -0.028068 TDE= -0.171004 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022450 logG= -0.027474 Density= 0.054138 ETOT(band)= -0.058319 trlgG= -0.073574 logG= -0.014534 TDE= -0.085830 logGD-logG0= -0.005133 tlogG= -0.023425 logG= -0.028558 Density= 0.108129 ETOT(band)= -0.116428 trlgG= -0.146338 logG= -0.028558 TDE= -0.171288 logGD-logG0= -0.005269 tlogG= -0.024066 logG= -0.029334 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107640 ETOT(band)= -0.117120 trlgG= -0.147572 logG= -0.029334 TDE= -0.171503 Density= 0.108200 ETOT(band)= -0.115785 trlgG= -0.144615 logG= -0.027474 TDE= -0.170683 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 Density= 0.053982 ETOT(band)= -0.058441 trlgG= -0.073696 logG= -0.014607 TDE= -0.085802 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022162 logG= -0.027104 Density= 0.108356 ETOT(band)= -0.115478 trlgG= -0.144006 logG= -0.027104 TDE= -0.170522 logGD-logG0= -0.004534 tlogG= -0.024042 logG= -0.028576 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106378 ETOT(band)= -0.117211 trlgG= -0.146858 logG= -0.028576 TDE= -0.170923 logGD-logG0= -0.005124 tlogG= -0.023946 logG= -0.029070 logGD-logG0= -0.005137 tlogG= -0.023759 logG= -0.028896 Density= 0.108228 ETOT(band)= -0.116664 trlgG= -0.147152 logG= -0.029070 TDE= -0.171639 Density= 0.108177 ETOT(band)= -0.116589 trlgG= -0.146874 logG= -0.028896 TDE= -0.171509 logGD-logG0= -0.004337 tlogG= -0.023971 logG= -0.028308 Density= 0.106157 ETOT(band)= -0.117181 trlgG= -0.146738 logG= -0.028308 TDE= -0.170962 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024084 logG= -0.029359 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107886 ETOT(band)= -0.117026 trlgG= -0.147634 logG= -0.029359 TDE= -0.171663 logGD-logG0= -0.005308 tlogG= -0.024130 logG= -0.029438 Density= 0.107809 ETOT(band)= -0.117115 trlgG= -0.147761 logG= -0.029438 TDE= -0.171672 logGD-logG0= -0.004610 tlogG= -0.023202 logG= -0.027811 Density= 0.106726 ETOT(band)= -0.116678 trlgG= -0.145528 logG= -0.027811 TDE= -0.170530 logGD-logG0= -0.005111 tlogG= -0.023867 logG= -0.028978 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108249 ETOT(band)= -0.116599 trlgG= -0.147003 logG= -0.028978 TDE= -0.171592 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.022727 logG= -0.027747 logGD-logG0= -0.004696 tlogG= -0.022986 logG= -0.027682 Density= 0.106862 ETOT(band)= -0.116546 trlgG= -0.145265 logG= -0.027682 TDE= -0.170464 logGD-logG0= -0.005218 tlogG= -0.023962 logG= -0.029181 logGD-logG0= -0.005301 tlogG= -0.023896 logG= -0.029197 Density= 0.108246 ETOT(band)= -0.115921 trlgG= -0.145051 logG= -0.027747 TDE= -0.170870 logGD-logG0= -0.004852 tlogG= -0.022844 logG= -0.027696 Density= 0.107742 ETOT(band)= -0.116143 trlgG= -0.144982 logG= -0.027696 TDE= -0.170602 Density= 0.107749 ETOT(band)= -0.116985 trlgG= -0.147356 logG= -0.029197 TDE= -0.171478 Density= 0.107440 ETOT(band)= -0.117107 trlgG= -0.147299 logG= -0.029181 TDE= -0.171285 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022403 logG= -0.027403 Density= 0.107628 ETOT(band)= -0.116015 trlgG= -0.144498 logG= -0.027403 TDE= -0.170355 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023683 logG= -0.028379 logGD-logG0= -0.005114 tlogG= -0.023600 logG= -0.028714 Density= 0.108203 ETOT(band)= -0.116474 trlgG= -0.146582 logG= -0.028714 TDE= -0.171412 Density= 0.106968 ETOT(band)= -0.116897 trlgG= -0.146545 logG= -0.028379 TDE= -0.171099 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024088 logG= -0.029071 Density= 0.107375 ETOT(band)= -0.117086 trlgG= -0.147193 logG= -0.029071 TDE= -0.171257 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023189 logG= -0.028481 logGD-logG0= -0.004723 tlogG= -0.023496 logG= -0.028219 Density= 0.106764 ETOT(band)= -0.116868 trlgG= -0.146011 logG= -0.028219 TDE= -0.170625 logGD-logG0= -0.004669 tlogG= -0.023664 logG= -0.028333 Density= 0.106588 ETOT(band)= -0.117016 trlgG= -0.146443 logG= -0.028333 TDE= -0.170855 Density= 0.107679 ETOT(band)= -0.116596 trlgG= -0.146204 logG= -0.028481 TDE= -0.171008 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022847 logG= -0.027576 Density= 0.107289 ETOT(band)= -0.116291 trlgG= -0.145111 logG= -0.027576 TDE= -0.170627 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024055 logG= -0.029305 Density= 0.107946 ETOT(band)= -0.116958 trlgG= -0.147545 logG= -0.029305 TDE= -0.171657 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023683 logG= -0.028502 Density= 0.107373 ETOT(band)= -0.116776 trlgG= -0.146452 logG= -0.028502 TDE= -0.171083 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023866 logG= -0.029128 Density= 0.107914 ETOT(band)= -0.116852 trlgG= -0.147248 logG= -0.029128 TDE= -0.171522 logGD-logG0= -0.009761 tlogG= -0.048236 logG= -0.057997 logGD-logG0= -0.009446 tlogG= -0.045751 logG= -0.055197 Density= 0.215005 ETOT(band)= -0.232412 trlgG= -0.290121 logG= -0.055197 TDE= -0.341319 logGD-logG0= -0.005299 tlogG= -0.023575 logG= -0.028875 Density= 0.214391 ETOT(band)= -0.234256 trlgG= -0.294516 logG= -0.057997 TDE= -0.342610 Density= 0.107797 ETOT(band)= -0.116756 trlgG= -0.146833 logG= -0.028875 TDE= -0.171302 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009627 tlogG= -0.047152 logG= -0.056779 Density= 0.213751 ETOT(band)= -0.233853 trlgG= -0.292944 logG= -0.056779 TDE= -0.341940 logGD-logG0= -0.009726 tlogG= -0.045582 logG= -0.055308 Density= 0.214347 ETOT(band)= -0.232766 trlgG= -0.290302 logG= -0.055308 TDE= -0.341064 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009086 tlogG= -0.047624 logG= -0.056710 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212905 ETOT(band)= -0.234157 trlgG= -0.293018 logG= -0.056710 TDE= -0.341664 logGD-logG0= -0.009517 tlogG= -0.047922 logG= -0.057439 logGD-logG0= -0.009790 tlogG= -0.047145 logG= -0.056935 Density= 0.213762 ETOT(band)= -0.233897 trlgG= -0.292735 logG= -0.056935 TDE= -0.341580 Density= 0.213256 ETOT(band)= -0.234364 trlgG= -0.293663 logG= -0.057439 TDE= -0.341754 logGD-logG0= -0.010484 tlogG= -0.047738 logG= -0.058222 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214749 ETOT(band)= -0.234177 trlgG= -0.294352 logG= -0.058222 TDE= -0.342399 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009399 tlogG= -0.047439 logG= -0.056839 logGD-logG0= -0.009907 tlogG= -0.047893 logG= -0.057800 Density= 0.213956 ETOT(band)= -0.234296 trlgG= -0.294207 logG= -0.057800 TDE= -0.342283 logGD-logG0= -0.010439 tlogG= -0.048073 logG= -0.058511 Density= 0.215065 ETOT(band)= -0.234229 trlgG= -0.294862 logG= -0.058511 TDE= -0.342776 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214298 ETOT(band)= -0.233681 trlgG= -0.293071 logG= -0.056839 TDE= -0.342278 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010288 tlogG= -0.047970 logG= -0.058258 logGD-logG0= -0.001620 tlogG= -0.006989 logG= -0.008608 Density= 0.036195 ETOT(band)= -0.038143 trlgG= -0.047265 logG= -0.008608 TDE= -0.056567 Density= 0.215067 ETOT(band)= -0.234084 trlgG= -0.294445 logG= -0.058258 TDE= -0.342614 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010521 tlogG= -0.048006 logG= -0.058526 Density= 0.215102 ETOT(band)= -0.234220 trlgG= -0.294889 logG= -0.058526 TDE= -0.342806 logGD-logG0= -0.009831 tlogG= -0.045639 logG= -0.055471 Density= 0.215138 ETOT(band)= -0.232487 trlgG= -0.290111 logG= -0.055471 TDE= -0.341101 logGD-logG0= -0.010149 tlogG= -0.047651 logG= -0.057800 Density= 0.213937 ETOT(band)= -0.234283 trlgG= -0.293959 logG= -0.057800 TDE= -0.342025 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.047521 logG= -0.058094 logGD-logG0= -0.010348 tlogG= -0.047778 logG= -0.058126 Density= 0.215697 ETOT(band)= -0.233672 trlgG= -0.294228 logG= -0.058094 TDE= -0.342872 Density= 0.214648 ETOT(band)= -0.234171 trlgG= -0.294184 logG= -0.058126 TDE= -0.342276 logGD-logG0= -0.010586 tlogG= -0.046867 logG= -0.057453 Density= 0.215424 ETOT(band)= -0.233437 trlgG= -0.293188 logG= -0.057453 TDE= -0.342338 logGD-logG0= -0.010031 tlogG= -0.048021 logG= -0.058052 logGD-logG0= -0.002396 tlogG= -0.010422 logG= -0.012818 Density= 0.214522 ETOT(band)= -0.234201 trlgG= -0.294264 logG= -0.058052 TDE= -0.342368 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047298 logG= -0.057676 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214251 ETOT(band)= -0.234074 trlgG= -0.293434 logG= -0.057676 TDE= -0.341781 Density= 0.054377 ETOT(band)= -0.057096 trlgG= -0.070718 logG= -0.012818 TDE= -0.084809 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004310 tlogG= -0.024048 logG= -0.028358 logGD-logG0= -0.010498 tlogG= -0.047934 logG= -0.058432 logGD-logG0= -0.010634 tlogG= -0.048135 logG= -0.058769 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 Density= 0.215895 ETOT(band)= -0.233787 trlgG= -0.294790 logG= -0.058432 TDE= -0.343193 Density= 0.035841 ETOT(band)= -0.038593 trlgG= -0.047928 logG= -0.008988 TDE= -0.056676 Density= 0.215420 ETOT(band)= -0.234244 trlgG= -0.295325 logG= -0.058769 TDE= -0.343156 logGD-logG0= -0.010146 tlogG= -0.046401 logG= -0.056547 Density= 0.215207 ETOT(band)= -0.233048 trlgG= -0.291745 logG= -0.056547 TDE= -0.341693 Density= 0.106105 ETOT(band)= -0.117225 trlgG= -0.146852 logG= -0.028358 TDE= -0.171000 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.047410 logG= -0.057954 logGD-logG0= -0.009755 tlogG= -0.047216 logG= -0.056971 Density= 0.214465 ETOT(band)= -0.233641 trlgG= -0.292843 logG= -0.056971 TDE= -0.342000 Density= 0.215463 ETOT(band)= -0.233714 trlgG= -0.293990 logG= -0.057954 TDE= -0.342658 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010553 tlogG= -0.047883 logG= -0.058436 logGD-logG0= -0.010057 tlogG= -0.047142 logG= -0.057199 Density= 0.215143 ETOT(band)= -0.233450 trlgG= -0.292764 logG= -0.057199 TDE= -0.342028 Density= 0.215766 ETOT(band)= -0.233861 trlgG= -0.294793 logG= -0.058436 TDE= -0.343129 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.021867 logG= -0.026844 Density= 0.108320 ETOT(band)= -0.115294 trlgG= -0.143556 logG= -0.026844 TDE= -0.170315 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021556 logG= -0.026447 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 Density= 0.080834 ETOT(band)= -0.087008 trlgG= -0.108653 logG= -0.006851 TDE= -0.042684 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108511 ETOT(band)= -0.114927 trlgG= -0.142875 logG= -0.026447 TDE= -0.170125 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.020981 logG= -0.025790 Density= 0.108708 ETOT(band)= -0.114338 trlgG= -0.141716 logG= -0.025790 TDE= -0.169721 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.021812 logG= -0.026868 Density= 0.107782 ETOT(band)= -0.115586 trlgG= -0.143621 logG= -0.026868 TDE= -0.170089 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.023953 logG= -0.029014 Density= 0.214330 ETOT(band)= -0.234207 trlgG= -0.294042 logG= -0.029014 TDE= -0.171123 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.023877 logG= -0.028779 Density= 0.213774 ETOT(band)= -0.234125 trlgG= -0.293137 logG= -0.028779 TDE= -0.170854 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009986 tlogG= -0.043378 logG= -0.053364 Density= 0.216269 ETOT(band)= -0.230573 trlgG= -0.286594 logG= -0.053364 TDE= -0.340251 logGD-logG0= -0.004723 tlogG= -0.024003 logG= -0.028726 Density= 0.214109 ETOT(band)= -0.234200 trlgG= -0.294260 logG= -0.028726 TDE= -0.171291 logGD-logG0= -0.004995 tlogG= -0.021689 logG= -0.026685 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107926 ETOT(band)= -0.115393 trlgG= -0.143310 logG= -0.026685 TDE= -0.170033 logGD-logG0= -0.004818 tlogG= -0.023833 logG= -0.028650 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213558 ETOT(band)= -0.234265 trlgG= -0.293874 logG= -0.028650 TDE= -0.171109 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023410 logG= -0.028600 Density= 0.216195 ETOT(band)= -0.232759 trlgG= -0.292322 logG= -0.028600 TDE= -0.171248 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023189 logG= -0.028343 Density= 0.214857 ETOT(band)= -0.233064 trlgG= -0.291345 logG= -0.028343 TDE= -0.170679 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005466 logG= -0.006687 Density= 0.081198 ETOT(band)= -0.086393 trlgG= -0.107412 logG= -0.006687 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.080632 ETOT(band)= -0.087438 trlgG= -0.109658 logG= -0.007000 TDE= -0.042761 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007123 Density= 0.080646 ETOT(band)= -0.087653 trlgG= -0.110213 logG= -0.007123 TDE= -0.042827 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005982 logG= -0.007254 Density= 0.081061 ETOT(band)= -0.087588 trlgG= -0.110461 logG= -0.007254 TDE= -0.042911 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023997 logG= -0.029204 Density= 0.215684 ETOT(band)= -0.233961 trlgG= -0.294948 logG= -0.029204 TDE= -0.171638 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080830 ETOT(band)= -0.087687 trlgG= -0.110410 logG= -0.007211 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024119 logG= -0.029418 Density= 0.215717 ETOT(band)= -0.234118 trlgG= -0.295364 logG= -0.029418 TDE= -0.171671 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023795 logG= -0.029035 Density= 0.215329 ETOT(band)= -0.233869 trlgG= -0.294293 logG= -0.029035 TDE= -0.171485 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023840 logG= -0.028899 Density= 0.215492 ETOT(band)= -0.233864 trlgG= -0.294398 logG= -0.028899 TDE= -0.171174 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023995 logG= -0.029165 Density= 0.216356 ETOT(band)= -0.233439 trlgG= -0.294466 logG= -0.029165 TDE= -0.171655 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024002 logG= -0.028757 Density= 0.321550 ETOT(band)= -0.351277 trlgG= -0.441531 logG= -0.028757 TDE= -0.171285 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022433 logG= -0.027535 Density= 0.216363 ETOT(band)= -0.231388 trlgG= -0.288718 logG= -0.027535 TDE= -0.170625 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024158 logG= -0.029185 logGD-logG0= -0.005236 tlogG= -0.023476 logG= -0.028712 Density= 0.322431 ETOT(band)= -0.351384 trlgG= -0.442208 logG= -0.029185 TDE= -0.171291 Density= 0.215208 ETOT(band)= -0.233435 trlgG= -0.293030 logG= -0.028712 TDE= -0.171228 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004416 tlogG= -0.023737 logG= -0.028153 logGD-logG0= -0.005163 tlogG= -0.023952 logG= -0.029115 logGD-logG0= -0.004562 tlogG= -0.023968 logG= -0.028530 Density= 0.216390 ETOT(band)= -0.233335 trlgG= -0.294233 logG= -0.029115 TDE= -0.171628 Density= 0.212789 ETOT(band)= -0.234393 trlgG= -0.293622 logG= -0.028530 TDE= -0.170891 Density= 0.213066 ETOT(band)= -0.233707 trlgG= -0.291899 logG= -0.028153 TDE= -0.170840 logGD-logG0= -0.005001 tlogG= -0.024153 logG= -0.029154 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214734 ETOT(band)= -0.234277 trlgG= -0.294655 logG= -0.029154 TDE= -0.171296 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 logGD-logG0= -0.004472 tlogG= -0.023583 logG= -0.028055 Density= 0.212597 ETOT(band)= -0.234117 trlgG= -0.292876 logG= -0.028055 TDE= -0.170755 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022962 logG= -0.028125 Density= 0.216220 ETOT(band)= -0.232186 trlgG= -0.290705 logG= -0.028125 TDE= -0.170960 logGD-logG0= -0.010144 tlogG= -0.045617 logG= -0.055761 Density= 0.040848 ETOT(band)= -0.042691 trlgG= -0.052817 logG= -0.008447 TDE= -0.056481 Density= 0.324034 ETOT(band)= -0.348102 trlgG= -0.435144 logG= -0.055761 TDE= -0.341574 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.047226 logG= -0.057642 Density= 0.324129 ETOT(band)= -0.349699 trlgG= -0.439851 logG= -0.057642 TDE= -0.342758 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.048031 logG= -0.058688 logGD-logG0= -0.004587 tlogG= -0.023886 logG= -0.028473 Density= 0.213263 ETOT(band)= -0.233980 trlgG= -0.292626 logG= -0.028473 TDE= -0.170843 Density= 0.323242 ETOT(band)= -0.351144 trlgG= -0.442553 logG= -0.058688 TDE= -0.343146 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023239 logG= -0.028252 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010369 tlogG= -0.047778 logG= -0.058147 logGD-logG0= -0.005233 tlogG= -0.024078 logG= -0.029312 Density= 0.321687 ETOT(band)= -0.350734 trlgG= -0.439805 logG= -0.028252 TDE= -0.170914 Density= 0.324350 ETOT(band)= -0.350065 trlgG= -0.441198 logG= -0.058147 TDE= -0.343150 logGD-logG0= -0.010415 tlogG= -0.046404 logG= -0.056819 Density= 0.323990 ETOT(band)= -0.349045 trlgG= -0.437765 logG= -0.056819 TDE= -0.342200 Density= 0.323056 ETOT(band)= -0.351354 trlgG= -0.442858 logG= -0.029312 TDE= -0.171485 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009649 tlogG= -0.046595 logG= -0.056244 logGD-logG0= -0.004666 tlogG= -0.023363 logG= -0.028029 Density= 0.322690 ETOT(band)= -0.349177 trlgG= -0.436587 logG= -0.056244 TDE= -0.341728 logGD-logG0= -0.004951 tlogG= -0.022901 logG= -0.027851 Density= 0.214783 ETOT(band)= -0.232511 trlgG= -0.289814 logG= -0.027851 TDE= -0.170491 Density= 0.321617 ETOT(band)= -0.350229 trlgG= -0.438954 logG= -0.028029 TDE= -0.170960 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023757 logG= -0.028940 Density= 0.216278 ETOT(band)= -0.233138 trlgG= -0.293529 logG= -0.028940 TDE= -0.171487 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023895 logG= -0.029242 Density= 0.215643 ETOT(band)= -0.233864 trlgG= -0.294675 logG= -0.029242 TDE= -0.171495 logGD-logG0= -0.004634 tlogG= -0.023366 logG= -0.028001 Density= 0.214169 ETOT(band)= -0.233487 trlgG= -0.292466 logG= -0.028001 TDE= -0.170968 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023240 logG= -0.028006 logGD-logG0= -0.005421 tlogG= -0.023348 logG= -0.028769 Density= 0.213481 ETOT(band)= -0.233733 trlgG= -0.292357 logG= -0.028006 TDE= -0.170805 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215099 ETOT(band)= -0.233462 trlgG= -0.292839 logG= -0.028769 TDE= -0.171023 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023954 logG= -0.029286 Density= 0.323658 ETOT(band)= -0.350814 trlgG= -0.442293 logG= -0.029286 TDE= -0.171543 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 logGD-logG0= -0.005396 tlogG= -0.023681 logG= -0.029077 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001183 tlogG= -0.005169 logG= -0.006351 Density= 0.062536 ETOT(band)= -0.067578 trlgG= -0.084244 logG= -0.006351 TDE= -0.042373 Density= 0.215403 ETOT(band)= -0.233717 trlgG= -0.293978 logG= -0.029077 TDE= -0.171317 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070859 ETOT(band)= -0.077991 trlgG= -0.097499 logG= -0.009392 TDE= -0.056982 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009415 tlogG= -0.046705 logG= -0.056120 Density= 0.427858 ETOT(band)= -0.466362 trlgG= -0.582106 logG= -0.056120 TDE= -0.341340 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048140 logG= -0.058250 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071491 ETOT(band)= -0.077385 trlgG= -0.096197 logG= -0.009153 TDE= -0.056758 logGD-logG0= -0.008926 tlogG= -0.048089 logG= -0.057014 Density= 0.429284 ETOT(band)= -0.468489 trlgG= -0.588872 logG= -0.058250 TDE= -0.342432 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425493 ETOT(band)= -0.468585 trlgG= -0.586732 logG= -0.057014 TDE= -0.341899 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009468 tlogG= -0.046599 logG= -0.056067 Density= 0.428067 ETOT(band)= -0.467082 trlgG= -0.584711 logG= -0.056067 TDE= -0.341754 logGD-logG0= -0.009607 tlogG= -0.047832 logG= -0.057438 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428012 ETOT(band)= -0.468385 trlgG= -0.588106 logG= -0.057438 TDE= -0.342386 logGD-logG0= -0.010222 tlogG= -0.047659 logG= -0.057881 Density= 0.428267 ETOT(band)= -0.468366 trlgG= -0.587437 logG= -0.057881 TDE= -0.342027 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021293 logG= -0.026184 Density= 0.162647 ETOT(band)= -0.173061 trlgG= -0.216000 logG= -0.026184 TDE= -0.169938 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010455 tlogG= -0.048061 logG= -0.058516 logGD-logG0= -0.010244 tlogG= -0.048212 logG= -0.058456 Density= 0.430025 ETOT(band)= -0.468489 trlgG= -0.589641 logG= -0.058456 TDE= -0.342650 Density= 0.430131 ETOT(band)= -0.468319 trlgG= -0.589312 logG= -0.058516 TDE= -0.342776 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.047686 logG= -0.058408 Density= 0.431085 ETOT(band)= -0.467679 trlgG= -0.588950 logG= -0.058408 TDE= -0.342898 logGD-logG0= -0.009619 tlogG= -0.047640 logG= -0.057259 Density= 0.426638 ETOT(band)= -0.468605 trlgG= -0.587248 logG= -0.057259 TDE= -0.341918 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010624 tlogG= -0.047718 logG= -0.058342 Density= 0.430741 ETOT(band)= -0.467738 trlgG= -0.588593 logG= -0.058342 TDE= -0.342791 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009572 tlogG= -0.047760 logG= -0.057332 Density= 0.427144 ETOT(band)= -0.468152 trlgG= -0.586095 logG= -0.057332 TDE= -0.341620 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047948 logG= -0.058227 logGD-logG0= -0.009783 tlogG= -0.047845 logG= -0.057627 Density= 0.429117 ETOT(band)= -0.468154 trlgG= -0.588070 logG= -0.057627 TDE= -0.342371 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429187 ETOT(band)= -0.468451 trlgG= -0.588521 logG= -0.058227 TDE= -0.342274 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046391 logG= -0.056289 Density= 0.429506 ETOT(band)= -0.465781 trlgG= -0.581769 logG= -0.056289 TDE= -0.341449 logGD-logG0= -0.009964 tlogG= -0.047551 logG= -0.057515 Density= 0.428583 ETOT(band)= -0.467709 trlgG= -0.586472 logG= -0.057515 TDE= -0.342071 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046920 logG= -0.057204 Density= 0.429860 ETOT(band)= -0.466693 trlgG= -0.584469 logG= -0.057204 TDE= -0.341742 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.081557 ETOT(band)= -0.085723 trlgG= -0.106249 logG= -0.006506 TDE= -0.042475 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010683 tlogG= -0.047257 logG= -0.057940 logGD-logG0= -0.004817 tlogG= -0.022322 logG= -0.027139 Density= 0.322855 ETOT(band)= -0.348146 trlgG= -0.434197 logG= -0.027139 TDE= -0.170307 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430468 ETOT(band)= -0.467315 trlgG= -0.587121 logG= -0.057940 TDE= -0.342407 logGD-logG0= -0.010646 tlogG= -0.048012 logG= -0.058657 Density= 0.431327 ETOT(band)= -0.467961 trlgG= -0.589943 logG= -0.058657 TDE= -0.343163 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047560 logG= -0.057768 Density= 0.429993 ETOT(band)= -0.467339 trlgG= -0.586401 logG= -0.057768 TDE= -0.342188 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009934 tlogG= -0.044610 logG= -0.054544 Density= 0.324275 ETOT(band)= -0.346831 trlgG= -0.432129 logG= -0.054544 TDE= -0.340894 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007114 logG= -0.008802 Density= 0.072227 ETOT(band)= -0.076514 trlgG= -0.094878 logG= -0.008802 TDE= -0.056642 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022287 logG= -0.027218 Density= 0.214243 ETOT(band)= -0.232556 trlgG= -0.289571 logG= -0.027218 TDE= -0.170226 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004284 tlogG= -0.024128 logG= -0.028412 logGD-logG0= -0.004898 tlogG= -0.022470 logG= -0.027368 Density= 0.215008 ETOT(band)= -0.231775 trlgG= -0.288168 logG= -0.027368 TDE= -0.170240 Density= 0.212148 ETOT(band)= -0.234500 trlgG= -0.293827 logG= -0.028412 TDE= -0.171039 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.022322 logG= -0.027098 Density= 0.215015 ETOT(band)= -0.232064 trlgG= -0.289214 logG= -0.027098 TDE= -0.170313 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005064 tlogG= -0.021872 logG= -0.026936 Density= 0.216621 ETOT(band)= -0.230388 trlgG= -0.286597 logG= -0.026936 TDE= -0.170284 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021343 logG= -0.026317 Density= 0.217015 ETOT(band)= -0.229278 trlgG= -0.284389 logG= -0.026317 TDE= -0.169951 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021198 logG= -0.026130 Density= 0.216337 ETOT(band)= -0.230143 trlgG= -0.285651 logG= -0.026130 TDE= -0.169857 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009781 tlogG= -0.044615 logG= -0.054396 Density= 0.431587 ETOT(band)= -0.462297 trlgG= -0.574973 logG= -0.054396 TDE= -0.340533 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.973000541207 eV TrLogG= -407.438140712015 eV Ratio to renormalize= 1.000073492113 rho-rho_expected=-0.001616707675 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964780007087294 0.940652113885552 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 Density= 0.035488 ETOT(band)= -0.038944 trlgG= -0.048628 logG= -0.009292 TDE= -0.056897 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004337 tlogG= -0.023971 logG= -0.028308 Density= 0.106157 ETOT(band)= -0.117180 trlgG= -0.146738 logG= -0.028308 TDE= -0.170962 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022402 logG= -0.027403 Density= 0.107628 ETOT(band)= -0.116015 trlgG= -0.144497 logG= -0.027403 TDE= -0.170354 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023496 logG= -0.028219 logGD-logG0= -0.004696 tlogG= -0.022986 logG= -0.027682 Density= 0.106862 ETOT(band)= -0.116546 trlgG= -0.145265 logG= -0.027682 TDE= -0.170463 Density= 0.106764 ETOT(band)= -0.116868 trlgG= -0.146011 logG= -0.028219 TDE= -0.170624 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010422 logG= -0.012818 Density= 0.054377 ETOT(band)= -0.057095 trlgG= -0.070718 logG= -0.012818 TDE= -0.084809 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 Density= 0.035841 ETOT(band)= -0.038593 trlgG= -0.047928 logG= -0.008988 TDE= -0.056676 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021689 logG= -0.026685 Density= 0.107926 ETOT(band)= -0.115393 trlgG= -0.143310 logG= -0.026685 TDE= -0.170033 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014627 Density= 0.053761 ETOT(band)= -0.058559 trlgG= -0.073713 logG= -0.014627 TDE= -0.085690 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011445 logG= -0.013771 Density= 0.053733 ETOT(band)= -0.058096 trlgG= -0.072529 logG= -0.013771 TDE= -0.085347 logGD-logG0= -0.002319 tlogG= -0.011881 logG= -0.014201 Density= 0.053558 ETOT(band)= -0.058428 trlgG= -0.073294 logG= -0.014201 TDE= -0.085597 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008043 logG= -0.009444 Density= 0.035309 ETOT(band)= -0.039096 trlgG= -0.048993 logG= -0.009444 TDE= -0.057021 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 Density= 0.054138 ETOT(band)= -0.058319 trlgG= -0.073574 logG= -0.014534 TDE= -0.085830 logGD-logG0= -0.005133 tlogG= -0.023425 logG= -0.028558 Density= 0.108129 ETOT(band)= -0.116427 trlgG= -0.146338 logG= -0.028558 TDE= -0.171288 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002415 tlogG= -0.012080 logG= -0.014495 Density= 0.053581 ETOT(band)= -0.058572 trlgG= -0.073656 logG= -0.014495 TDE= -0.085676 logGD-logG0= -0.005137 tlogG= -0.023759 logG= -0.028896 logGD-logG0= -0.004310 tlogG= -0.024048 logG= -0.028358 Density= 0.108177 ETOT(band)= -0.116589 trlgG= -0.146874 logG= -0.028896 TDE= -0.171509 Density= 0.106105 ETOT(band)= -0.117224 trlgG= -0.146851 logG= -0.028358 TDE= -0.170999 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 Density= 0.053982 ETOT(band)= -0.058441 trlgG= -0.073696 logG= -0.014607 TDE= -0.085802 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.024066 logG= -0.029334 logGD-logG0= -0.005124 tlogG= -0.023945 logG= -0.029070 Density= 0.108228 ETOT(band)= -0.116663 trlgG= -0.147152 logG= -0.029070 TDE= -0.171639 Density= 0.107640 ETOT(band)= -0.117119 trlgG= -0.147572 logG= -0.029334 TDE= -0.171503 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022450 logG= -0.027474 logGD-logG0= -0.005092 tlogG= -0.022976 logG= -0.028068 Density= 0.108132 ETOT(band)= -0.116158 trlgG= -0.145563 logG= -0.028068 TDE= -0.171004 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108200 ETOT(band)= -0.115785 trlgG= -0.144615 logG= -0.027474 TDE= -0.170683 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022844 logG= -0.027696 Density= 0.107742 ETOT(band)= -0.116143 trlgG= -0.144981 logG= -0.027696 TDE= -0.170602 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023683 logG= -0.028502 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004610 tlogG= -0.023202 logG= -0.027811 Density= 0.107373 ETOT(band)= -0.116775 trlgG= -0.146451 logG= -0.028502 TDE= -0.171083 Density= 0.106726 ETOT(band)= -0.116678 trlgG= -0.145528 logG= -0.027811 TDE= -0.170530 logGD-logG0= -0.004941 tlogG= -0.022162 logG= -0.027104 Density= 0.108356 ETOT(band)= -0.115478 trlgG= -0.144006 logG= -0.027104 TDE= -0.170522 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024042 logG= -0.028576 Density= 0.106378 ETOT(band)= -0.117211 trlgG= -0.146858 logG= -0.028576 TDE= -0.170923 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.024088 logG= -0.029070 logGD-logG0= -0.005301 tlogG= -0.023896 logG= -0.029197 Density= 0.107749 ETOT(band)= -0.116985 trlgG= -0.147356 logG= -0.029197 TDE= -0.171478 Density= 0.107375 ETOT(band)= -0.117086 trlgG= -0.147193 logG= -0.029070 TDE= -0.171257 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.023867 logG= -0.028978 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108249 ETOT(band)= -0.116599 trlgG= -0.147003 logG= -0.028978 TDE= -0.171592 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023679 logG= -0.028955 logGD-logG0= -0.005084 tlogG= -0.023210 logG= -0.028294 Density= 0.108192 ETOT(band)= -0.116250 trlgG= -0.145919 logG= -0.028294 TDE= -0.171163 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107226 ETOT(band)= -0.117055 trlgG= -0.146905 logG= -0.028955 TDE= -0.171011 logGD-logG0= -0.005308 tlogG= -0.024130 logG= -0.029438 Density= 0.107809 ETOT(band)= -0.117114 trlgG= -0.147760 logG= -0.029438 TDE= -0.171671 logGD-logG0= -0.005114 tlogG= -0.023600 logG= -0.028714 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.022727 logG= -0.027747 Density= 0.108246 ETOT(band)= -0.115921 trlgG= -0.145051 logG= -0.027747 TDE= -0.170869 Density= 0.108202 ETOT(band)= -0.116473 trlgG= -0.146582 logG= -0.028714 TDE= -0.171412 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004669 tlogG= -0.023664 logG= -0.028333 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023962 logG= -0.029181 Density= 0.107440 ETOT(band)= -0.117106 trlgG= -0.147299 logG= -0.029181 TDE= -0.171285 Density= 0.106588 ETOT(band)= -0.117016 trlgG= -0.146442 logG= -0.028333 TDE= -0.170855 logGD-logG0= -0.004894 tlogG= -0.023887 logG= -0.028781 Density= 0.106749 ETOT(band)= -0.117169 trlgG= -0.146969 logG= -0.028781 TDE= -0.171012 logGD-logG0= -0.005100 tlogG= -0.022869 logG= -0.027969 logGD-logG0= -0.005275 tlogG= -0.024084 logG= -0.029359 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023637 logG= -0.028625 Density= 0.106971 ETOT(band)= -0.116985 trlgG= -0.146355 logG= -0.028625 TDE= -0.170664 logGD-logG0= -0.004869 tlogG= -0.024065 logG= -0.028935 Density= 0.107050 ETOT(band)= -0.117149 trlgG= -0.147221 logG= -0.028935 TDE= -0.171260 Density= 0.107886 ETOT(band)= -0.117026 trlgG= -0.147634 logG= -0.029359 TDE= -0.171663 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107610 ETOT(band)= -0.116348 trlgG= -0.145394 logG= -0.027969 TDE= -0.170676 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023683 logG= -0.028379 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106968 ETOT(band)= -0.116897 trlgG= -0.146545 logG= -0.028379 TDE= -0.171099 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023189 logG= -0.028481 Density= 0.107679 ETOT(band)= -0.116596 trlgG= -0.146204 logG= -0.028481 TDE= -0.171008 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022847 logG= -0.027576 Density= 0.107289 ETOT(band)= -0.116290 trlgG= -0.145110 logG= -0.027576 TDE= -0.170627 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023866 logG= -0.029128 Density= 0.107914 ETOT(band)= -0.116852 trlgG= -0.147248 logG= -0.029128 TDE= -0.171521 logGD-logG0= -0.005299 tlogG= -0.023575 logG= -0.028875 Density= 0.107797 ETOT(band)= -0.116756 trlgG= -0.146833 logG= -0.028875 TDE= -0.171302 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009761 tlogG= -0.048236 logG= -0.057997 Density= 0.214391 ETOT(band)= -0.234255 trlgG= -0.294516 logG= -0.057997 TDE= -0.342610 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009446 tlogG= -0.045751 logG= -0.055197 Density= 0.215005 ETOT(band)= -0.232412 trlgG= -0.290120 logG= -0.055197 TDE= -0.341318 logGD-logG0= -0.009726 tlogG= -0.045581 logG= -0.055308 logGD-logG0= -0.009086 tlogG= -0.047624 logG= -0.056710 Density= 0.214347 ETOT(band)= -0.232766 trlgG= -0.290301 logG= -0.055308 TDE= -0.341063 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212905 ETOT(band)= -0.234156 trlgG= -0.293018 logG= -0.056710 TDE= -0.341664 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009627 tlogG= -0.047152 logG= -0.056779 Density= 0.213751 ETOT(band)= -0.233853 trlgG= -0.292943 logG= -0.056779 TDE= -0.341939 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009400 tlogG= -0.047439 logG= -0.056839 logGD-logG0= -0.010484 tlogG= -0.047738 logG= -0.058222 Density= 0.214749 ETOT(band)= -0.234176 trlgG= -0.294352 logG= -0.058222 TDE= -0.342399 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214298 ETOT(band)= -0.233680 trlgG= -0.293071 logG= -0.056839 TDE= -0.342277 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.047893 logG= -0.057800 Density= 0.213956 ETOT(band)= -0.234296 trlgG= -0.294206 logG= -0.057800 TDE= -0.342283 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024055 logG= -0.029305 logGD-logG0= -0.009517 tlogG= -0.047921 logG= -0.057439 Density= 0.213256 ETOT(band)= -0.234363 trlgG= -0.293662 logG= -0.057439 TDE= -0.341753 logGD-logG0= -0.009831 tlogG= -0.045639 logG= -0.055471 Density= 0.215138 ETOT(band)= -0.232486 trlgG= -0.290110 logG= -0.055471 TDE= -0.341101 Density= 0.107945 ETOT(band)= -0.116958 trlgG= -0.147545 logG= -0.029305 TDE= -0.171657 logGD-logG0= -0.010348 tlogG= -0.047778 logG= -0.058126 logGD-logG0= -0.010439 tlogG= -0.048072 logG= -0.058511 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214648 ETOT(band)= -0.234171 trlgG= -0.294183 logG= -0.058126 TDE= -0.342275 Density= 0.215065 ETOT(band)= -0.234229 trlgG= -0.294861 logG= -0.058511 TDE= -0.342775 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.048021 logG= -0.058052 logGD-logG0= -0.001620 tlogG= -0.006989 logG= -0.008608 Density= 0.036195 ETOT(band)= -0.038142 trlgG= -0.047264 logG= -0.008608 TDE= -0.056567 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214522 ETOT(band)= -0.234201 trlgG= -0.294263 logG= -0.058052 TDE= -0.342368 logGD-logG0= -0.010288 tlogG= -0.047970 logG= -0.058258 Density= 0.215067 ETOT(band)= -0.234084 trlgG= -0.294445 logG= -0.058258 TDE= -0.342613 logGD-logG0= -0.010521 tlogG= -0.048005 logG= -0.058526 Density= 0.215102 ETOT(band)= -0.234220 trlgG= -0.294888 logG= -0.058526 TDE= -0.342805 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010586 tlogG= -0.046867 logG= -0.057453 logGD-logG0= -0.010149 tlogG= -0.047651 logG= -0.057800 logGD-logG0= -0.010498 tlogG= -0.047934 logG= -0.058432 Density= 0.215895 ETOT(band)= -0.233787 trlgG= -0.294789 logG= -0.058432 TDE= -0.343193 Density= 0.213937 ETOT(band)= -0.234282 trlgG= -0.293958 logG= -0.057800 TDE= -0.342025 Density= 0.215424 ETOT(band)= -0.233437 trlgG= -0.293188 logG= -0.057453 TDE= -0.342337 logGD-logG0= -0.010573 tlogG= -0.047521 logG= -0.058094 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215697 ETOT(band)= -0.233671 trlgG= -0.294228 logG= -0.058094 TDE= -0.342871 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010634 tlogG= -0.048135 logG= -0.058769 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215420 ETOT(band)= -0.234244 trlgG= -0.295324 logG= -0.058769 TDE= -0.343155 logGD-logG0= -0.010377 tlogG= -0.047298 logG= -0.057675 logGD-logG0= -0.009755 tlogG= -0.047216 logG= -0.056971 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214250 ETOT(band)= -0.234073 trlgG= -0.293434 logG= -0.057675 TDE= -0.341780 logGD-logG0= -0.010553 tlogG= -0.047883 logG= -0.058436 Density= 0.215766 ETOT(band)= -0.233860 trlgG= -0.294793 logG= -0.058436 TDE= -0.343128 logGD-logG0= -0.010146 tlogG= -0.046401 logG= -0.056547 Density= 0.215207 ETOT(band)= -0.233048 trlgG= -0.291745 logG= -0.056547 TDE= -0.341693 logGD-logG0= -0.010544 tlogG= -0.047410 logG= -0.057954 Density= 0.215463 ETOT(band)= -0.233713 trlgG= -0.293989 logG= -0.057954 TDE= -0.342657 Density= 0.214465 ETOT(band)= -0.233640 trlgG= -0.292842 logG= -0.056971 TDE= -0.342000 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.047145 logG= -0.056935 Density= 0.213762 ETOT(band)= -0.233896 trlgG= -0.292735 logG= -0.056935 TDE= -0.341580 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010058 tlogG= -0.047142 logG= -0.057199 Density= 0.215143 ETOT(band)= -0.233449 trlgG= -0.292763 logG= -0.057199 TDE= -0.342028 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.021867 logG= -0.026844 Density= 0.108320 ETOT(band)= -0.115294 trlgG= -0.143556 logG= -0.026844 TDE= -0.170314 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021556 logG= -0.026447 Density= 0.108511 ETOT(band)= -0.114926 trlgG= -0.142875 logG= -0.026447 TDE= -0.170125 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.020981 logG= -0.025790 Density= 0.108708 ETOT(band)= -0.114338 trlgG= -0.141716 logG= -0.025790 TDE= -0.169721 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002456 tlogG= -0.010838 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057615 trlgG= -0.071567 logG= -0.013294 TDE= -0.085025 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.021812 logG= -0.026868 Density= 0.107782 ETOT(band)= -0.115586 trlgG= -0.143621 logG= -0.026868 TDE= -0.170089 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009986 tlogG= -0.043378 logG= -0.053364 Density= 0.216269 ETOT(band)= -0.230572 trlgG= -0.286594 logG= -0.053364 TDE= -0.340251 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 Density= 0.070859 ETOT(band)= -0.077991 trlgG= -0.097499 logG= -0.009392 TDE= -0.056982 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004472 tlogG= -0.023583 logG= -0.028055 Density= 0.212596 ETOT(band)= -0.234116 trlgG= -0.292876 logG= -0.028055 TDE= -0.170755 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022900 logG= -0.027851 Density= 0.214783 ETOT(band)= -0.232511 trlgG= -0.289813 logG= -0.027851 TDE= -0.170490 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071491 ETOT(band)= -0.077385 trlgG= -0.096197 logG= -0.009153 TDE= -0.056758 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004587 tlogG= -0.023886 logG= -0.028473 Density= 0.213263 ETOT(band)= -0.233980 trlgG= -0.292625 logG= -0.028473 TDE= -0.170842 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.081557 ETOT(band)= -0.085723 trlgG= -0.106249 logG= -0.006506 TDE= -0.042475 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022287 logG= -0.027218 Density= 0.214243 ETOT(band)= -0.232555 trlgG= -0.289571 logG= -0.027218 TDE= -0.170226 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021198 logG= -0.026130 Density= 0.216337 ETOT(band)= -0.230143 trlgG= -0.285650 logG= -0.026130 TDE= -0.169857 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080830 ETOT(band)= -0.087687 trlgG= -0.110409 logG= -0.007211 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 Density= 0.080834 ETOT(band)= -0.087008 trlgG= -0.108653 logG= -0.006851 TDE= -0.042684 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.080632 ETOT(band)= -0.087438 trlgG= -0.109658 logG= -0.007000 TDE= -0.042761 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007123 Density= 0.080645 ETOT(band)= -0.087653 trlgG= -0.110212 logG= -0.007123 TDE= -0.042826 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005982 logG= -0.007254 Density= 0.081061 ETOT(band)= -0.087588 trlgG= -0.110461 logG= -0.007254 TDE= -0.042911 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023997 logG= -0.029203 Density= 0.215684 ETOT(band)= -0.233961 trlgG= -0.294948 logG= -0.029203 TDE= -0.171638 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023795 logG= -0.029035 Density= 0.215329 ETOT(band)= -0.233869 trlgG= -0.294292 logG= -0.029035 TDE= -0.171485 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023476 logG= -0.028712 Density= 0.215207 ETOT(band)= -0.233435 trlgG= -0.293029 logG= -0.028712 TDE= -0.171228 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023995 logG= -0.029165 Density= 0.216356 ETOT(band)= -0.233439 trlgG= -0.294465 logG= -0.029165 TDE= -0.171655 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024128 logG= -0.028412 Density= 0.212148 ETOT(band)= -0.234499 trlgG= -0.293826 logG= -0.028412 TDE= -0.171038 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024002 logG= -0.028757 Density= 0.321550 ETOT(band)= -0.351276 trlgG= -0.441530 logG= -0.028757 TDE= -0.171285 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004416 tlogG= -0.023737 logG= -0.028153 Density= 0.213066 ETOT(band)= -0.233706 trlgG= -0.291899 logG= -0.028153 TDE= -0.170840 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024119 logG= -0.029418 Density= 0.215716 ETOT(band)= -0.234117 trlgG= -0.295364 logG= -0.029418 TDE= -0.171671 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023953 logG= -0.029014 logGD-logG0= -0.005190 tlogG= -0.023410 logG= -0.028600 Density= 0.216195 ETOT(band)= -0.232759 trlgG= -0.292321 logG= -0.028600 TDE= -0.171248 logGD-logG0= -0.005163 tlogG= -0.023952 logG= -0.029115 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216389 ETOT(band)= -0.233335 trlgG= -0.294232 logG= -0.029115 TDE= -0.171628 logGD-logG0= -0.010369 tlogG= -0.047778 logG= -0.058147 logGD-logG0= -0.010416 tlogG= -0.047226 logG= -0.057642 Density= 0.324129 ETOT(band)= -0.349699 trlgG= -0.439850 logG= -0.057642 TDE= -0.342757 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324350 ETOT(band)= -0.350064 trlgG= -0.441197 logG= -0.058147 TDE= -0.343150 logGD-logG0= -0.005102 tlogG= -0.022433 logG= -0.027535 Density= 0.216363 ETOT(band)= -0.231387 trlgG= -0.288717 logG= -0.027535 TDE= -0.170624 logGD-logG0= -0.005027 tlogG= -0.024158 logG= -0.029185 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322431 ETOT(band)= -0.351384 trlgG= -0.442207 logG= -0.029185 TDE= -0.171291 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.048031 logG= -0.058688 Density= 0.323242 ETOT(band)= -0.351144 trlgG= -0.442552 logG= -0.058688 TDE= -0.343145 Density= 0.214330 ETOT(band)= -0.234206 trlgG= -0.294041 logG= -0.029014 TDE= -0.171123 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023840 logG= -0.028899 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022962 logG= -0.028125 Density= 0.216220 ETOT(band)= -0.232185 trlgG= -0.290704 logG= -0.028125 TDE= -0.170960 Density= 0.215492 ETOT(band)= -0.233864 trlgG= -0.294398 logG= -0.028899 TDE= -0.171174 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.024078 logG= -0.029311 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323056 ETOT(band)= -0.351353 trlgG= -0.442857 logG= -0.029311 TDE= -0.171485 logGD-logG0= -0.004666 tlogG= -0.023363 logG= -0.028029 Density= 0.321617 ETOT(band)= -0.350229 trlgG= -0.438953 logG= -0.028029 TDE= -0.170959 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042691 trlgG= -0.052817 logG= -0.008447 TDE= -0.056481 logGD-logG0= -0.004562 tlogG= -0.023968 logG= -0.028530 logGD-logG0= -0.005001 tlogG= -0.024153 logG= -0.029154 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214733 ETOT(band)= -0.234277 trlgG= -0.294655 logG= -0.029154 TDE= -0.171296 Density= 0.212788 ETOT(band)= -0.234392 trlgG= -0.293621 logG= -0.028530 TDE= -0.170891 logGD-logG0= -0.010144 tlogG= -0.045617 logG= -0.055761 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324034 ETOT(band)= -0.348101 trlgG= -0.435143 logG= -0.055761 TDE= -0.341573 logGD-logG0= -0.009649 tlogG= -0.046595 logG= -0.056244 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322690 ETOT(band)= -0.349177 trlgG= -0.436586 logG= -0.056244 TDE= -0.341727 logGD-logG0= -0.004723 tlogG= -0.024003 logG= -0.028725 logGD-logG0= -0.005183 tlogG= -0.023757 logG= -0.028940 Density= 0.214109 ETOT(band)= -0.234199 trlgG= -0.294259 logG= -0.028725 TDE= -0.171290 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216277 ETOT(band)= -0.233137 trlgG= -0.293528 logG= -0.028940 TDE= -0.171487 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023833 logG= -0.028650 Density= 0.213558 ETOT(band)= -0.234264 trlgG= -0.293874 logG= -0.028650 TDE= -0.171109 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023240 logG= -0.028006 Density= 0.213481 ETOT(band)= -0.233732 trlgG= -0.292357 logG= -0.028006 TDE= -0.170804 logGD-logG0= -0.005333 tlogG= -0.023954 logG= -0.029286 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323658 ETOT(band)= -0.350813 trlgG= -0.442292 logG= -0.029286 TDE= -0.171543 logGD-logG0= -0.001183 tlogG= -0.005169 logG= -0.006351 Density= 0.062536 ETOT(band)= -0.067578 trlgG= -0.084244 logG= -0.006351 TDE= -0.042373 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023238 logG= -0.028252 Density= 0.321686 ETOT(band)= -0.350733 trlgG= -0.439804 logG= -0.028252 TDE= -0.170914 logGD-logG0= -0.004902 tlogG= -0.023877 logG= -0.028779 Density= 0.213773 ETOT(band)= -0.234124 trlgG= -0.293136 logG= -0.028779 TDE= -0.170853 logGD-logG0= -0.010415 tlogG= -0.046404 logG= -0.056819 logGD-logG0= -0.005348 tlogG= -0.023895 logG= -0.029242 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323990 ETOT(band)= -0.349044 trlgG= -0.437764 logG= -0.056819 TDE= -0.342199 Density= 0.215643 ETOT(band)= -0.233863 trlgG= -0.294675 logG= -0.029242 TDE= -0.171494 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023680 logG= -0.029076 Density= 0.215403 ETOT(band)= -0.233717 trlgG= -0.293978 logG= -0.029076 TDE= -0.171317 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.023348 logG= -0.028769 Density= 0.215099 ETOT(band)= -0.233461 trlgG= -0.292839 logG= -0.028769 TDE= -0.171023 logGD-logG0= -0.005154 tlogG= -0.023189 logG= -0.028343 Density= 0.214857 ETOT(band)= -0.233064 trlgG= -0.291345 logG= -0.028343 TDE= -0.170679 logGD-logG0= -0.009415 tlogG= -0.046705 logG= -0.056120 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427858 ETOT(band)= -0.466361 trlgG= -0.582104 logG= -0.056120 TDE= -0.341339 logGD-logG0= -0.008926 tlogG= -0.048088 logG= -0.057014 logGD-logG0= -0.004635 tlogG= -0.023366 logG= -0.028001 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214169 ETOT(band)= -0.233487 trlgG= -0.292465 logG= -0.028001 TDE= -0.170968 Density= 0.425493 ETOT(band)= -0.468584 trlgG= -0.586731 logG= -0.057014 TDE= -0.341898 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048140 logG= -0.058250 Density= 0.429284 ETOT(band)= -0.468488 trlgG= -0.588871 logG= -0.058250 TDE= -0.342431 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009607 tlogG= -0.047832 logG= -0.057438 Density= 0.428011 ETOT(band)= -0.468384 trlgG= -0.588105 logG= -0.057438 TDE= -0.342386 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047948 logG= -0.058227 Density= 0.429186 ETOT(band)= -0.468450 trlgG= -0.588520 logG= -0.058227 TDE= -0.342274 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021293 logG= -0.026184 Density= 0.162646 ETOT(band)= -0.173061 trlgG= -0.215999 logG= -0.026184 TDE= -0.169937 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009469 tlogG= -0.046598 logG= -0.056067 Density= 0.428066 ETOT(band)= -0.467081 trlgG= -0.584710 logG= -0.056067 TDE= -0.341754 logGD-logG0= -0.010222 tlogG= -0.047659 logG= -0.057881 Density= 0.428267 ETOT(band)= -0.468365 trlgG= -0.587435 logG= -0.057881 TDE= -0.342027 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010244 tlogG= -0.048212 logG= -0.058456 logGD-logG0= -0.010624 tlogG= -0.047718 logG= -0.058342 Density= 0.430741 ETOT(band)= -0.467737 trlgG= -0.588592 logG= -0.058342 TDE= -0.342791 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430024 ETOT(band)= -0.468488 trlgG= -0.589640 logG= -0.058456 TDE= -0.342650 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.047686 logG= -0.058408 Density= 0.431084 ETOT(band)= -0.467678 trlgG= -0.588948 logG= -0.058408 TDE= -0.342897 logGD-logG0= -0.010455 tlogG= -0.048061 logG= -0.058516 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430131 ETOT(band)= -0.468318 trlgG= -0.589311 logG= -0.058516 TDE= -0.342775 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.047844 logG= -0.057627 logGD-logG0= -0.009898 tlogG= -0.046391 logG= -0.056289 Density= 0.429505 ETOT(band)= -0.465780 trlgG= -0.581768 logG= -0.056289 TDE= -0.341449 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429116 ETOT(band)= -0.468153 trlgG= -0.588069 logG= -0.057627 TDE= -0.342371 logGD-logG0= -0.010646 tlogG= -0.048011 logG= -0.058657 Density= 0.431327 ETOT(band)= -0.467960 trlgG= -0.589942 logG= -0.058657 TDE= -0.343163 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.047551 logG= -0.057514 Density= 0.428583 ETOT(band)= -0.467708 trlgG= -0.586471 logG= -0.057514 TDE= -0.342070 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009619 tlogG= -0.047640 logG= -0.057259 Density= 0.426638 ETOT(band)= -0.468604 trlgG= -0.587246 logG= -0.057259 TDE= -0.341918 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010284 tlogG= -0.046920 logG= -0.057204 Density= 0.429860 ETOT(band)= -0.466692 trlgG= -0.584468 logG= -0.057204 TDE= -0.341741 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.047257 logG= -0.057940 Density= 0.430468 ETOT(band)= -0.467314 trlgG= -0.587120 logG= -0.057940 TDE= -0.342406 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022322 logG= -0.027139 Density= 0.322855 ETOT(band)= -0.348145 trlgG= -0.434196 logG= -0.027139 TDE= -0.170306 logGD-logG0= -0.010207 tlogG= -0.047560 logG= -0.057767 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429993 ETOT(band)= -0.467338 trlgG= -0.586399 logG= -0.057767 TDE= -0.342187 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009934 tlogG= -0.044610 logG= -0.054544 Density= 0.324275 ETOT(band)= -0.346831 trlgG= -0.432128 logG= -0.054544 TDE= -0.340894 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007114 logG= -0.008802 Density= 0.072227 ETOT(band)= -0.076513 trlgG= -0.094878 logG= -0.008802 TDE= -0.056642 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009572 tlogG= -0.047760 logG= -0.057332 Density= 0.427144 ETOT(band)= -0.468151 trlgG= -0.586094 logG= -0.057332 TDE= -0.341619 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004899 tlogG= -0.022469 logG= -0.027368 Density= 0.215008 ETOT(band)= -0.231774 trlgG= -0.288167 logG= -0.027368 TDE= -0.170239 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.022322 logG= -0.027098 Density= 0.215015 ETOT(band)= -0.232063 trlgG= -0.289213 logG= -0.027098 TDE= -0.170313 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001221 tlogG= -0.005466 logG= -0.006687 Density= 0.081197 ETOT(band)= -0.086393 trlgG= -0.107412 logG= -0.006687 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005064 tlogG= -0.021872 logG= -0.026936 Density= 0.216621 ETOT(band)= -0.230388 trlgG= -0.286596 logG= -0.026936 TDE= -0.170283 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021343 logG= -0.026317 Density= 0.217015 ETOT(band)= -0.229278 trlgG= -0.284388 logG= -0.026317 TDE= -0.169951 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009781 tlogG= -0.044614 logG= -0.054396 Density= 0.431587 ETOT(band)= -0.462296 trlgG= -0.574972 logG= -0.054396 TDE= -0.340533 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.972386101734 eV TrLogG= -407.437178790166 eV Ratio to renormalize= 1.000074200118 rho-rho_expected=-0.001632281484 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964772933805285 0.940652643536751 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001481 tlogG= -0.007811 logG= -0.009292 Density= 0.035489 ETOT(band)= -0.038945 trlgG= -0.048629 logG= -0.009292 TDE= -0.056899 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004336 tlogG= -0.023972 logG= -0.028309 Density= 0.106158 ETOT(band)= -0.117184 trlgG= -0.146743 logG= -0.028309 TDE= -0.170966 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023203 logG= -0.027812 Density= 0.106727 ETOT(band)= -0.116681 trlgG= -0.145533 logG= -0.027812 TDE= -0.170534 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001619 tlogG= -0.006989 logG= -0.008609 Density= 0.036195 ETOT(band)= -0.038144 trlgG= -0.047266 logG= -0.008609 TDE= -0.056569 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021558 logG= -0.026447 Density= 0.108513 ETOT(band)= -0.114929 trlgG= -0.142879 logG= -0.026447 TDE= -0.170129 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004808 tlogG= -0.020982 logG= -0.025790 Density= 0.108709 ETOT(band)= -0.114341 trlgG= -0.141720 logG= -0.025790 TDE= -0.169725 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.021814 logG= -0.026868 Density= 0.107783 ETOT(band)= -0.115589 trlgG= -0.143625 logG= -0.026868 TDE= -0.170093 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021691 logG= -0.026685 Density= 0.107927 ETOT(band)= -0.115396 trlgG= -0.143315 logG= -0.026685 TDE= -0.170037 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002319 tlogG= -0.011882 logG= -0.014201 Density= 0.053559 ETOT(band)= -0.058430 trlgG= -0.073297 logG= -0.014201 TDE= -0.085599 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 logGD-logG0= -0.002414 tlogG= -0.012081 logG= -0.014495 Density= 0.053582 ETOT(band)= -0.058574 trlgG= -0.073658 logG= -0.014495 TDE= -0.085679 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011446 logG= -0.013772 Density= 0.053734 ETOT(band)= -0.058098 trlgG= -0.072531 logG= -0.013772 TDE= -0.085349 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002596 tlogG= -0.012030 logG= -0.014627 Density= 0.053762 ETOT(band)= -0.058561 trlgG= -0.073716 logG= -0.014627 TDE= -0.085693 logGD-logG0= -0.001401 tlogG= -0.008044 logG= -0.009445 Density= 0.035309 ETOT(band)= -0.039098 trlgG= -0.048995 logG= -0.009445 TDE= -0.057023 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023947 logG= -0.029070 Density= 0.108230 ETOT(band)= -0.116667 trlgG= -0.147156 logG= -0.029070 TDE= -0.171644 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 Density= 0.054138 ETOT(band)= -0.058321 trlgG= -0.073576 logG= -0.014534 TDE= -0.085832 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.023760 logG= -0.028897 Density= 0.108178 ETOT(band)= -0.116592 trlgG= -0.146878 logG= -0.028897 TDE= -0.171513 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023427 logG= -0.028559 Density= 0.108130 ETOT(band)= -0.116431 trlgG= -0.146342 logG= -0.028559 TDE= -0.171292 logGD-logG0= -0.005268 tlogG= -0.024067 logG= -0.029335 logGD-logG0= -0.005023 tlogG= -0.022452 logG= -0.027475 Density= 0.107641 ETOT(band)= -0.117123 trlgG= -0.147577 logG= -0.029335 TDE= -0.171508 Density= 0.108201 ETOT(band)= -0.115788 trlgG= -0.144619 logG= -0.027475 TDE= -0.170687 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004309 tlogG= -0.024050 logG= -0.028359 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106106 ETOT(band)= -0.117228 trlgG= -0.146856 logG= -0.028359 TDE= -0.171004 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.022978 logG= -0.028069 Density= 0.108133 ETOT(band)= -0.116161 trlgG= -0.145568 logG= -0.028069 TDE= -0.171008 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024089 logG= -0.029071 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107376 ETOT(band)= -0.117089 trlgG= -0.147198 logG= -0.029071 TDE= -0.171261 logGD-logG0= -0.004941 tlogG= -0.022164 logG= -0.027104 Density= 0.108357 ETOT(band)= -0.115481 trlgG= -0.144010 logG= -0.027104 TDE= -0.170526 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023897 logG= -0.029198 Density= 0.107750 ETOT(band)= -0.116988 trlgG= -0.147360 logG= -0.029198 TDE= -0.171482 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024043 logG= -0.028577 Density= 0.106379 ETOT(band)= -0.117215 trlgG= -0.146863 logG= -0.028577 TDE= -0.170928 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.024085 logG= -0.029360 Density= 0.107887 ETOT(band)= -0.117029 trlgG= -0.147639 logG= -0.029360 TDE= -0.171667 logGD-logG0= -0.004851 tlogG= -0.022845 logG= -0.027696 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107743 ETOT(band)= -0.116146 trlgG= -0.144986 logG= -0.027696 TDE= -0.170606 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.024132 logG= -0.029439 logGD-logG0= -0.005019 tlogG= -0.022729 logG= -0.027747 Density= 0.108247 ETOT(band)= -0.115924 trlgG= -0.145055 logG= -0.027747 TDE= -0.170874 logGD-logG0= -0.005110 tlogG= -0.023868 logG= -0.028979 logGD-logG0= -0.005083 tlogG= -0.023212 logG= -0.028295 logGD-logG0= -0.005113 tlogG= -0.023602 logG= -0.028715 Density= 0.107810 ETOT(band)= -0.117118 trlgG= -0.147765 logG= -0.029439 TDE= -0.171676 Density= 0.108204 ETOT(band)= -0.116476 trlgG= -0.146586 logG= -0.028715 TDE= -0.171416 Density= 0.108193 ETOT(band)= -0.116254 trlgG= -0.145923 logG= -0.028295 TDE= -0.171168 logGD-logG0= -0.005275 tlogG= -0.023681 logG= -0.028956 Density= 0.107227 ETOT(band)= -0.117058 trlgG= -0.146910 logG= -0.028956 TDE= -0.171015 Density= 0.108250 ETOT(band)= -0.116602 trlgG= -0.147007 logG= -0.028979 TDE= -0.171596 logGD-logG0= -0.005000 tlogG= -0.022404 logG= -0.027403 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023638 logG= -0.028626 Density= 0.107629 ETOT(band)= -0.116018 trlgG= -0.144502 logG= -0.027403 TDE= -0.170359 Density= 0.106972 ETOT(band)= -0.116989 trlgG= -0.146360 logG= -0.028626 TDE= -0.170669 logGD-logG0= -0.004818 tlogG= -0.023685 logG= -0.028503 Density= 0.107374 ETOT(band)= -0.116779 trlgG= -0.146456 logG= -0.028503 TDE= -0.171087 logGD-logG0= -0.005100 tlogG= -0.022870 logG= -0.027970 logGD-logG0= -0.004894 tlogG= -0.023888 logG= -0.028782 Density= 0.106750 ETOT(band)= -0.117173 trlgG= -0.146974 logG= -0.028782 TDE= -0.171017 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023665 logG= -0.028334 Density= 0.106589 ETOT(band)= -0.117020 trlgG= -0.146447 logG= -0.028334 TDE= -0.170859 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.022987 logG= -0.027683 Density= 0.106863 ETOT(band)= -0.116549 trlgG= -0.145270 logG= -0.027683 TDE= -0.170468 Density= 0.107611 ETOT(band)= -0.116351 trlgG= -0.145399 logG= -0.027970 TDE= -0.170681 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023964 logG= -0.029181 Density= 0.107441 ETOT(band)= -0.117110 trlgG= -0.147304 logG= -0.029181 TDE= -0.171290 logGD-logG0= -0.004696 tlogG= -0.023684 logG= -0.028380 logGD-logG0= -0.004723 tlogG= -0.023497 logG= -0.028219 Density= 0.106765 ETOT(band)= -0.116872 trlgG= -0.146016 logG= -0.028219 TDE= -0.170629 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106969 ETOT(band)= -0.116900 trlgG= -0.146550 logG= -0.028380 TDE= -0.171103 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024067 logG= -0.028936 Density= 0.107051 ETOT(band)= -0.117153 trlgG= -0.147226 logG= -0.028936 TDE= -0.171265 logGD-logG0= -0.002621 tlogG= -0.011987 logG= -0.014607 Density= 0.053983 ETOT(band)= -0.058443 trlgG= -0.073698 logG= -0.014607 TDE= -0.085804 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.024056 logG= -0.029306 Density= 0.107947 ETOT(band)= -0.116961 trlgG= -0.147549 logG= -0.029306 TDE= -0.171661 logGD-logG0= -0.005261 tlogG= -0.023868 logG= -0.029128 Density= 0.107915 ETOT(band)= -0.116855 trlgG= -0.147252 logG= -0.029128 TDE= -0.171526 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022849 logG= -0.027576 Density= 0.107290 ETOT(band)= -0.116294 trlgG= -0.145115 logG= -0.027576 TDE= -0.170631 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 Density= 0.070859 ETOT(band)= -0.077993 trlgG= -0.097502 logG= -0.009392 TDE= -0.056984 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009760 tlogG= -0.048239 logG= -0.057999 logGD-logG0= -0.005298 tlogG= -0.023577 logG= -0.028875 Density= 0.214393 ETOT(band)= -0.234262 trlgG= -0.294525 logG= -0.057999 TDE= -0.342619 logGD-logG0= -0.009445 tlogG= -0.045754 logG= -0.055199 Density= 0.215007 ETOT(band)= -0.232419 trlgG= -0.290129 logG= -0.055199 TDE= -0.341327 Density= 0.107799 ETOT(band)= -0.116759 trlgG= -0.146838 logG= -0.028875 TDE= -0.171306 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009085 tlogG= -0.047626 logG= -0.056712 Density= 0.212907 ETOT(band)= -0.234164 trlgG= -0.293028 logG= -0.056712 TDE= -0.341673 logGD-logG0= -0.009626 tlogG= -0.047155 logG= -0.056781 Density= 0.213753 ETOT(band)= -0.233860 trlgG= -0.292953 logG= -0.056781 TDE= -0.341948 logGD-logG0= -0.005292 tlogG= -0.023190 logG= -0.028482 logGD-logG0= -0.002395 tlogG= -0.010422 logG= -0.012818 logGD-logG0= -0.009725 tlogG= -0.045584 logG= -0.055309 Density= 0.107680 ETOT(band)= -0.116599 trlgG= -0.146209 logG= -0.028482 TDE= -0.171012 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214349 ETOT(band)= -0.232773 trlgG= -0.290311 logG= -0.055309 TDE= -0.341072 Density= 0.054378 ETOT(band)= -0.057097 trlgG= -0.070720 logG= -0.012818 TDE= -0.084811 logGD-logG0= -0.009790 tlogG= -0.047147 logG= -0.056937 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009517 tlogG= -0.047924 logG= -0.057441 Density= 0.213764 ETOT(band)= -0.233903 trlgG= -0.292744 logG= -0.056937 TDE= -0.341589 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213258 ETOT(band)= -0.234370 trlgG= -0.293672 logG= -0.057441 TDE= -0.341762 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.047741 logG= -0.058224 logGD-logG0= -0.009906 tlogG= -0.047896 logG= -0.057802 Density= 0.213958 ETOT(band)= -0.234303 trlgG= -0.294216 logG= -0.057802 TDE= -0.342292 Density= 0.214752 ETOT(band)= -0.234183 trlgG= -0.294361 logG= -0.058224 TDE= -0.342408 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001685 tlogG= -0.007304 logG= -0.008989 Density= 0.035841 ETOT(band)= -0.038595 trlgG= -0.047929 logG= -0.008989 TDE= -0.056677 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010438 tlogG= -0.048075 logG= -0.058513 logGD-logG0= -0.009830 tlogG= -0.045642 logG= -0.055472 Density= 0.215068 ETOT(band)= -0.234235 trlgG= -0.294871 logG= -0.058513 TDE= -0.342784 logGD-logG0= -0.009398 tlogG= -0.047442 logG= -0.056841 Density= 0.214300 ETOT(band)= -0.233687 trlgG= -0.293080 logG= -0.056841 TDE= -0.342286 Density= 0.215140 ETOT(band)= -0.232493 trlgG= -0.290119 logG= -0.055472 TDE= -0.341109 logGD-logG0= -0.010347 tlogG= -0.047781 logG= -0.058128 Density= 0.214650 ETOT(band)= -0.234178 trlgG= -0.294193 logG= -0.058128 TDE= -0.342285 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010586 tlogG= -0.046869 logG= -0.057455 logGD-logG0= -0.010030 tlogG= -0.048023 logG= -0.058053 logGD-logG0= -0.010520 tlogG= -0.048008 logG= -0.058528 Density= 0.215104 ETOT(band)= -0.234226 trlgG= -0.294898 logG= -0.058528 TDE= -0.342815 Density= 0.215426 ETOT(band)= -0.233443 trlgG= -0.293197 logG= -0.057455 TDE= -0.342346 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214525 ETOT(band)= -0.234208 trlgG= -0.294273 logG= -0.058053 TDE= -0.342377 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004471 tlogG= -0.023584 logG= -0.028056 Density= 0.212598 ETOT(band)= -0.234123 trlgG= -0.292886 logG= -0.028056 TDE= -0.170759 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047300 logG= -0.057677 logGD-logG0= -0.010571 tlogG= -0.047524 logG= -0.058096 Density= 0.215700 ETOT(band)= -0.233678 trlgG= -0.294237 logG= -0.058096 TDE= -0.342880 logGD-logG0= -0.010496 tlogG= -0.047938 logG= -0.058434 Density= 0.215898 ETOT(band)= -0.233793 trlgG= -0.294799 logG= -0.058434 TDE= -0.343202 logGD-logG0= -0.002455 tlogG= -0.010839 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057616 trlgG= -0.071569 logG= -0.013294 TDE= -0.085027 Density= 0.214253 ETOT(band)= -0.234080 trlgG= -0.293444 logG= -0.057677 TDE= -0.341789 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010149 tlogG= -0.047654 logG= -0.057802 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213939 ETOT(band)= -0.234289 trlgG= -0.293968 logG= -0.057802 TDE= -0.342034 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010633 tlogG= -0.048138 logG= -0.058771 logGD-logG0= -0.010287 tlogG= -0.047973 logG= -0.058259 Density= 0.215423 ETOT(band)= -0.234250 trlgG= -0.295334 logG= -0.058771 TDE= -0.343165 Density= 0.215070 ETOT(band)= -0.234090 trlgG= -0.294454 logG= -0.058259 TDE= -0.342622 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009754 tlogG= -0.047219 logG= -0.056973 Density= 0.214467 ETOT(band)= -0.233647 trlgG= -0.292852 logG= -0.056973 TDE= -0.342008 logGD-logG0= -0.010543 tlogG= -0.047412 logG= -0.057956 Density= 0.215466 ETOT(band)= -0.233720 trlgG= -0.293999 logG= -0.057956 TDE= -0.342666 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010551 tlogG= -0.047886 logG= -0.058438 Density= 0.215769 ETOT(band)= -0.233867 trlgG= -0.294802 logG= -0.058438 TDE= -0.343137 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010145 tlogG= -0.046404 logG= -0.056549 Density= 0.215209 ETOT(band)= -0.233054 trlgG= -0.291754 logG= -0.056549 TDE= -0.341702 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047145 logG= -0.057201 Density= 0.215146 ETOT(band)= -0.233456 trlgG= -0.292773 logG= -0.057201 TDE= -0.342037 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.021869 logG= -0.026845 Density= 0.108322 ETOT(band)= -0.115297 trlgG= -0.143561 logG= -0.026845 TDE= -0.170319 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004416 tlogG= -0.023738 logG= -0.028154 Density= 0.213067 ETOT(band)= -0.233713 trlgG= -0.291909 logG= -0.028154 TDE= -0.170844 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007115 logG= -0.008802 Density= 0.072228 ETOT(band)= -0.076516 trlgG= -0.094881 logG= -0.008802 TDE= -0.056643 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004898 tlogG= -0.022471 logG= -0.027369 Density= 0.215010 ETOT(band)= -0.231781 trlgG= -0.288177 logG= -0.027369 TDE= -0.170244 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009984 tlogG= -0.043381 logG= -0.053365 Density= 0.216271 ETOT(band)= -0.230579 trlgG= -0.286603 logG= -0.053365 TDE= -0.340259 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021345 logG= -0.026318 Density= 0.217018 ETOT(band)= -0.229284 trlgG= -0.284397 logG= -0.026318 TDE= -0.169955 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021199 logG= -0.026131 Density= 0.216339 ETOT(band)= -0.230149 trlgG= -0.285659 logG= -0.026131 TDE= -0.169861 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021874 logG= -0.026937 Density= 0.216623 ETOT(band)= -0.230394 trlgG= -0.286605 logG= -0.026937 TDE= -0.170288 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005855 logG= -0.007123 Density= 0.080646 ETOT(band)= -0.087655 trlgG= -0.110216 logG= -0.007123 TDE= -0.042828 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005747 logG= -0.007000 Density= 0.080633 ETOT(band)= -0.087440 trlgG= -0.109661 logG= -0.007000 TDE= -0.042762 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080831 ETOT(band)= -0.087689 trlgG= -0.110413 logG= -0.007211 TDE= -0.042882 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 Density= 0.080835 ETOT(band)= -0.087011 trlgG= -0.108657 logG= -0.006851 TDE= -0.042685 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.023999 logG= -0.029204 Density= 0.215686 ETOT(band)= -0.233968 trlgG= -0.294957 logG= -0.029204 TDE= -0.171642 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023797 logG= -0.029036 Density= 0.215332 ETOT(band)= -0.233875 trlgG= -0.294301 logG= -0.029036 TDE= -0.171490 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023997 logG= -0.029166 Density= 0.216359 ETOT(band)= -0.233445 trlgG= -0.294474 logG= -0.029166 TDE= -0.171659 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023477 logG= -0.028713 Density= 0.215210 ETOT(band)= -0.233441 trlgG= -0.293039 logG= -0.028713 TDE= -0.171232 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005983 logG= -0.007254 Density= 0.081062 ETOT(band)= -0.087591 trlgG= -0.110464 logG= -0.007254 TDE= -0.042912 logGD-logG0= -0.005299 tlogG= -0.024120 logG= -0.029419 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215719 ETOT(band)= -0.234124 trlgG= -0.295373 logG= -0.029419 TDE= -0.171676 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.023841 logG= -0.028899 Density= 0.215494 ETOT(band)= -0.233870 trlgG= -0.294407 logG= -0.028899 TDE= -0.171178 logGD-logG0= -0.004283 tlogG= -0.024130 logG= -0.028413 Density= 0.212150 ETOT(band)= -0.234507 trlgG= -0.293837 logG= -0.028413 TDE= -0.171043 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024003 logG= -0.028758 Density= 0.321554 ETOT(band)= -0.351287 trlgG= -0.441545 logG= -0.028758 TDE= -0.171290 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.022434 logG= -0.027536 Density= 0.216366 ETOT(band)= -0.231394 trlgG= -0.288726 logG= -0.027536 TDE= -0.170629 logGD-logG0= -0.005060 tlogG= -0.023954 logG= -0.029015 Density= 0.214332 ETOT(band)= -0.234213 trlgG= -0.294051 logG= -0.029015 TDE= -0.171128 logGD-logG0= -0.010367 tlogG= -0.047781 logG= -0.058148 Density= 0.324354 ETOT(band)= -0.350074 trlgG= -0.441211 logG= -0.058148 TDE= -0.343159 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024159 logG= -0.029186 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322435 ETOT(band)= -0.351394 trlgG= -0.442221 logG= -0.029186 TDE= -0.171295 logGD-logG0= -0.010655 tlogG= -0.048034 logG= -0.058690 Density= 0.323246 ETOT(band)= -0.351153 trlgG= -0.442566 logG= -0.058690 TDE= -0.343154 logGD-logG0= -0.005162 tlogG= -0.022964 logG= -0.028126 Density= 0.216223 ETOT(band)= -0.232192 trlgG= -0.290714 logG= -0.028126 TDE= -0.170964 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023412 logG= -0.028601 Density= 0.216198 ETOT(band)= -0.232765 trlgG= -0.292330 logG= -0.028601 TDE= -0.171252 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010414 tlogG= -0.047229 logG= -0.057644 Density= 0.324133 ETOT(band)= -0.349708 trlgG= -0.439863 logG= -0.057644 TDE= -0.342766 logGD-logG0= -0.010143 tlogG= -0.045619 logG= -0.055762 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324038 ETOT(band)= -0.348111 trlgG= -0.435157 logG= -0.055762 TDE= -0.341582 logGD-logG0= -0.005162 tlogG= -0.023954 logG= -0.029116 logGD-logG0= -0.004561 tlogG= -0.023970 logG= -0.028531 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216392 ETOT(band)= -0.233341 trlgG= -0.294241 logG= -0.029116 TDE= -0.171632 Density= 0.212790 ETOT(band)= -0.234400 trlgG= -0.293631 logG= -0.028531 TDE= -0.170895 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023759 logG= -0.028941 Density= 0.216280 ETOT(band)= -0.233143 trlgG= -0.293537 logG= -0.028941 TDE= -0.171491 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004666 tlogG= -0.023364 logG= -0.028030 Density= 0.321620 ETOT(band)= -0.350239 trlgG= -0.438967 logG= -0.028030 TDE= -0.170964 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006352 logGD-logG0= -0.004587 tlogG= -0.023887 logG= -0.028474 Density= 0.213265 ETOT(band)= -0.233987 trlgG= -0.292635 logG= -0.028474 TDE= -0.170847 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.024080 logG= -0.029312 logGD-logG0= -0.005001 tlogG= -0.024154 logG= -0.029155 Density= 0.323060 ETOT(band)= -0.351363 trlgG= -0.442871 logG= -0.029312 TDE= -0.171489 logGD-logG0= -0.005347 tlogG= -0.023896 logG= -0.029243 Density= 0.214736 ETOT(band)= -0.234283 trlgG= -0.294664 logG= -0.029155 TDE= -0.171300 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.023878 logG= -0.028780 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215646 ETOT(band)= -0.233870 trlgG= -0.294684 logG= -0.029243 TDE= -0.171499 Density= 0.213776 ETOT(band)= -0.234131 trlgG= -0.293146 logG= -0.028780 TDE= -0.170858 Density= 0.062537 ETOT(band)= -0.067580 trlgG= -0.084247 logG= -0.006352 TDE= -0.042374 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042692 trlgG= -0.052818 logG= -0.008447 TDE= -0.056482 logGD-logG0= -0.004817 tlogG= -0.023834 logG= -0.028651 logGD-logG0= -0.009648 tlogG= -0.046598 logG= -0.056246 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322693 ETOT(band)= -0.349187 trlgG= -0.436600 logG= -0.056246 TDE= -0.341736 Density= 0.213560 ETOT(band)= -0.234271 trlgG= -0.293884 logG= -0.028651 TDE= -0.171114 logGD-logG0= -0.010413 tlogG= -0.046407 logG= -0.056821 logGD-logG0= -0.004722 tlogG= -0.024004 logG= -0.028726 Density= 0.214111 ETOT(band)= -0.234206 trlgG= -0.294269 logG= -0.028726 TDE= -0.171295 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323994 ETOT(band)= -0.349054 trlgG= -0.437778 logG= -0.056821 TDE= -0.342208 logGD-logG0= -0.004765 tlogG= -0.023242 logG= -0.028007 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213483 ETOT(band)= -0.233739 trlgG= -0.292367 logG= -0.028007 TDE= -0.170809 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.022902 logG= -0.027852 logGD-logG0= -0.001566 tlogG= -0.007588 logG= -0.009154 Density= 0.071492 ETOT(band)= -0.077388 trlgG= -0.096200 logG= -0.009154 TDE= -0.056759 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214785 ETOT(band)= -0.232518 trlgG= -0.289823 logG= -0.027852 TDE= -0.170495 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.023368 logG= -0.028002 Density= 0.214171 ETOT(band)= -0.233494 trlgG= -0.292475 logG= -0.028002 TDE= -0.170972 logGD-logG0= -0.005013 tlogG= -0.023240 logG= -0.028253 Density= 0.321690 ETOT(band)= -0.350743 trlgG= -0.439818 logG= -0.028253 TDE= -0.170918 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023956 logG= -0.029287 logGD-logG0= -0.005154 tlogG= -0.023190 logG= -0.028344 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214859 ETOT(band)= -0.233071 trlgG= -0.291354 logG= -0.028344 TDE= -0.170683 Density= 0.323662 ETOT(band)= -0.350823 trlgG= -0.442306 logG= -0.029287 TDE= -0.171547 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023682 logG= -0.029077 Density= 0.215406 ETOT(band)= -0.233723 trlgG= -0.293987 logG= -0.029077 TDE= -0.171321 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008925 tlogG= -0.048091 logG= -0.057016 Density= 0.425496 ETOT(band)= -0.468599 trlgG= -0.586751 logG= -0.057016 TDE= -0.341907 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009414 tlogG= -0.046707 logG= -0.056121 Density= 0.427861 ETOT(band)= -0.466375 trlgG= -0.582124 logG= -0.056121 TDE= -0.341348 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.048143 logG= -0.058252 Density= 0.429289 ETOT(band)= -0.468501 trlgG= -0.588890 logG= -0.058252 TDE= -0.342440 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.047662 logG= -0.057883 Density= 0.428272 ETOT(band)= -0.468378 trlgG= -0.587455 logG= -0.057883 TDE= -0.342036 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.047835 logG= -0.057440 logGD-logG0= -0.009467 tlogG= -0.046601 logG= -0.056069 Density= 0.428071 ETOT(band)= -0.467095 trlgG= -0.584730 logG= -0.056069 TDE= -0.341763 logGD-logG0= -0.010623 tlogG= -0.047720 logG= -0.058343 Density= 0.428016 ETOT(band)= -0.468398 trlgG= -0.588124 logG= -0.057440 TDE= -0.342395 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430746 ETOT(band)= -0.467750 trlgG= -0.588611 logG= -0.058343 TDE= -0.342800 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021295 logG= -0.026185 Density= 0.162649 ETOT(band)= -0.173065 trlgG= -0.216006 logG= -0.026185 TDE= -0.169942 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010278 tlogG= -0.047951 logG= -0.058229 Density= 0.429191 ETOT(band)= -0.468463 trlgG= -0.588539 logG= -0.058229 TDE= -0.342283 logGD-logG0= -0.009618 tlogG= -0.047643 logG= -0.057261 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426642 ETOT(band)= -0.468619 trlgG= -0.587267 logG= -0.057261 TDE= -0.341927 logGD-logG0= -0.010243 tlogG= -0.048215 logG= -0.058458 logGD-logG0= -0.010720 tlogG= -0.047689 logG= -0.058409 Density= 0.430030 ETOT(band)= -0.468501 trlgG= -0.589659 logG= -0.058458 TDE= -0.342659 Density= 0.431090 ETOT(band)= -0.467691 trlgG= -0.588967 logG= -0.058409 TDE= -0.342907 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023349 logG= -0.028769 Density= 0.215101 ETOT(band)= -0.233468 trlgG= -0.292848 logG= -0.028769 TDE= -0.171028 logGD-logG0= -0.009572 tlogG= -0.047762 logG= -0.057334 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427148 ETOT(band)= -0.468165 trlgG= -0.586114 logG= -0.057334 TDE= -0.341628 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.047847 logG= -0.057629 Density= 0.429121 ETOT(band)= -0.468167 trlgG= -0.588088 logG= -0.057629 TDE= -0.342380 logGD-logG0= -0.001220 tlogG= -0.005466 logG= -0.006687 Density= 0.081198 ETOT(band)= -0.086395 trlgG= -0.107415 logG= -0.006687 TDE= -0.042588 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009963 tlogG= -0.047554 logG= -0.057516 logGD-logG0= -0.009897 tlogG= -0.046394 logG= -0.056291 Density= 0.429510 ETOT(band)= -0.465794 trlgG= -0.581787 logG= -0.056291 TDE= -0.341457 Density= 0.428588 ETOT(band)= -0.467722 trlgG= -0.586490 logG= -0.057516 TDE= -0.342079 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010644 tlogG= -0.048015 logG= -0.058659 Density= 0.431332 ETOT(band)= -0.467973 trlgG= -0.589961 logG= -0.058659 TDE= -0.343172 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047260 logG= -0.057942 Density= 0.430473 ETOT(band)= -0.467327 trlgG= -0.587139 logG= -0.057942 TDE= -0.342416 logGD-logG0= -0.010454 tlogG= -0.048063 logG= -0.058517 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430136 ETOT(band)= -0.468331 trlgG= -0.589330 logG= -0.058517 TDE= -0.342784 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046923 logG= -0.057205 Density= 0.429865 ETOT(band)= -0.466706 trlgG= -0.584488 logG= -0.057205 TDE= -0.341750 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.081558 ETOT(band)= -0.085725 trlgG= -0.106252 logG= -0.006506 TDE= -0.042476 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022323 logG= -0.027140 Density= 0.322858 ETOT(band)= -0.348155 trlgG= -0.434210 logG= -0.027140 TDE= -0.170311 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010207 tlogG= -0.047563 logG= -0.057769 Density= 0.429998 ETOT(band)= -0.467352 trlgG= -0.586419 logG= -0.057769 TDE= -0.342196 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.022323 logG= -0.027099 Density= 0.215017 ETOT(band)= -0.232070 trlgG= -0.289223 logG= -0.027099 TDE= -0.170317 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009933 tlogG= -0.044613 logG= -0.054545 Density= 0.324279 ETOT(band)= -0.346841 trlgG= -0.432142 logG= -0.054545 TDE= -0.340902 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022289 logG= -0.027218 Density= 0.214245 ETOT(band)= -0.232562 trlgG= -0.289581 logG= -0.027218 TDE= -0.170231 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009780 tlogG= -0.044617 logG= -0.054397 Density= 0.431591 ETOT(band)= -0.462309 trlgG= -0.574991 logG= -0.054397 TDE= -0.340542 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.981758361267 eV TrLogG= -407.452147012843 eV Ratio to renormalize= 1.000062984053 rho-rho_expected=-0.001385561905 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964763623180460 0.940637577955443 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024042 logG= -0.028576 Density= 0.106378 ETOT(band)= -0.117212 trlgG= -0.146859 logG= -0.028576 TDE= -0.170924 logGD-logG0= -0.004941 tlogG= -0.022162 logG= -0.027104 Density= 0.108356 ETOT(band)= -0.115478 trlgG= -0.144006 logG= -0.027104 TDE= -0.170523 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 logGD-logG0= -0.005084 tlogG= -0.023210 logG= -0.028294 Density= 0.108193 ETOT(band)= -0.116251 trlgG= -0.145919 logG= -0.028294 TDE= -0.171164 Density= 0.035488 ETOT(band)= -0.038945 trlgG= -0.048628 logG= -0.009292 TDE= -0.056898 logGD-logG0= -0.004988 tlogG= -0.023637 logG= -0.028625 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106971 ETOT(band)= -0.116986 trlgG= -0.146356 logG= -0.028625 TDE= -0.170665 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008044 logG= -0.009444 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035309 ETOT(band)= -0.039097 trlgG= -0.048993 logG= -0.009444 TDE= -0.057022 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023664 logG= -0.028333 logGD-logG0= -0.004869 tlogG= -0.024065 logG= -0.028935 Density= 0.107050 ETOT(band)= -0.117150 trlgG= -0.147222 logG= -0.028935 TDE= -0.171262 Density= 0.106588 ETOT(band)= -0.117017 trlgG= -0.146443 logG= -0.028333 TDE= -0.170856 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023189 logG= -0.028481 Density= 0.107679 ETOT(band)= -0.116596 trlgG= -0.146205 logG= -0.028481 TDE= -0.171009 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024048 logG= -0.028358 Density= 0.106105 ETOT(band)= -0.117225 trlgG= -0.146852 logG= -0.028358 TDE= -0.171001 logGD-logG0= -0.002319 tlogG= -0.011881 logG= -0.014201 Density= 0.053558 ETOT(band)= -0.058429 trlgG= -0.073295 logG= -0.014201 TDE= -0.085597 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004336 tlogG= -0.023971 logG= -0.028308 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106157 ETOT(band)= -0.117181 trlgG= -0.146739 logG= -0.028308 TDE= -0.170963 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014626 logGD-logG0= -0.002414 tlogG= -0.012080 logG= -0.014494 Density= 0.053581 ETOT(band)= -0.058572 trlgG= -0.073656 logG= -0.014494 TDE= -0.085677 Density= 0.053761 ETOT(band)= -0.058560 trlgG= -0.073714 logG= -0.014626 TDE= -0.085691 logGD-logG0= -0.002326 tlogG= -0.011446 logG= -0.013771 Density= 0.053733 ETOT(band)= -0.058097 trlgG= -0.072529 logG= -0.013771 TDE= -0.085348 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.022986 logG= -0.027682 Density= 0.106862 ETOT(band)= -0.116547 trlgG= -0.145266 logG= -0.027682 TDE= -0.170465 logGD-logG0= -0.005000 tlogG= -0.022403 logG= -0.027403 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107628 ETOT(band)= -0.116016 trlgG= -0.144498 logG= -0.027403 TDE= -0.170355 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010838 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057615 trlgG= -0.071567 logG= -0.013294 TDE= -0.085026 logGD-logG0= -0.004723 tlogG= -0.023496 logG= -0.028218 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106764 ETOT(band)= -0.116869 trlgG= -0.146012 logG= -0.028218 TDE= -0.170626 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023202 logG= -0.027811 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 Density= 0.106726 ETOT(band)= -0.116679 trlgG= -0.145529 logG= -0.027811 TDE= -0.170531 Density= 0.054138 ETOT(band)= -0.058320 trlgG= -0.073574 logG= -0.014534 TDE= -0.085830 logGD-logG0= -0.005024 tlogG= -0.022450 logG= -0.027474 Density= 0.108200 ETOT(band)= -0.115785 trlgG= -0.144615 logG= -0.027474 TDE= -0.170684 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023759 logG= -0.028896 Density= 0.108178 ETOT(band)= -0.116590 trlgG= -0.146874 logG= -0.028896 TDE= -0.171510 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023946 logG= -0.029069 logGD-logG0= -0.005268 tlogG= -0.024066 logG= -0.029334 Density= 0.108229 ETOT(band)= -0.116664 trlgG= -0.147152 logG= -0.029069 TDE= -0.171640 Density= 0.107640 ETOT(band)= -0.117120 trlgG= -0.147573 logG= -0.029334 TDE= -0.171504 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.022977 logG= -0.028068 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023425 logG= -0.028558 Density= 0.108133 ETOT(band)= -0.116158 trlgG= -0.145564 logG= -0.028068 TDE= -0.171005 Density= 0.108129 ETOT(band)= -0.116428 trlgG= -0.146339 logG= -0.028558 TDE= -0.171289 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.022844 logG= -0.027696 Density= 0.107742 ETOT(band)= -0.116144 trlgG= -0.144982 logG= -0.027696 TDE= -0.170603 logGD-logG0= -0.005114 tlogG= -0.023600 logG= -0.028714 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108203 ETOT(band)= -0.116474 trlgG= -0.146583 logG= -0.028714 TDE= -0.171413 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 Density= 0.035841 ETOT(band)= -0.038594 trlgG= -0.047928 logG= -0.008988 TDE= -0.056676 logGD-logG0= -0.005111 tlogG= -0.023867 logG= -0.028978 Density= 0.108249 ETOT(band)= -0.116600 trlgG= -0.147003 logG= -0.028978 TDE= -0.171593 logGD-logG0= -0.005308 tlogG= -0.024130 logG= -0.029438 logGD-logG0= -0.001620 tlogG= -0.006989 logG= -0.008608 Density= 0.036195 ETOT(band)= -0.038143 trlgG= -0.047265 logG= -0.008608 TDE= -0.056567 logGD-logG0= -0.004982 tlogG= -0.024088 logG= -0.029070 logGD-logG0= -0.002396 tlogG= -0.010422 logG= -0.012817 Density= 0.054377 ETOT(band)= -0.057096 trlgG= -0.070718 logG= -0.012817 TDE= -0.084810 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005275 tlogG= -0.023679 logG= -0.028955 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107809 ETOT(band)= -0.117115 trlgG= -0.147761 logG= -0.029438 TDE= -0.171672 Density= 0.107375 ETOT(band)= -0.117086 trlgG= -0.147194 logG= -0.029070 TDE= -0.171258 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107226 ETOT(band)= -0.117056 trlgG= -0.146905 logG= -0.028955 TDE= -0.171012 Density= 0.053982 ETOT(band)= -0.058442 trlgG= -0.073696 logG= -0.014607 TDE= -0.085802 logGD-logG0= -0.005019 tlogG= -0.022727 logG= -0.027746 Density= 0.108246 ETOT(band)= -0.115921 trlgG= -0.145051 logG= -0.027746 TDE= -0.170871 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023683 logG= -0.028379 logGD-logG0= -0.005275 tlogG= -0.024084 logG= -0.029359 logGD-logG0= -0.005100 tlogG= -0.022869 logG= -0.027969 Density= 0.107611 ETOT(band)= -0.116349 trlgG= -0.145395 logG= -0.027969 TDE= -0.170677 Density= 0.107886 ETOT(band)= -0.117027 trlgG= -0.147635 logG= -0.029359 TDE= -0.171664 Density= 0.106968 ETOT(band)= -0.116897 trlgG= -0.146546 logG= -0.028379 TDE= -0.171100 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004894 tlogG= -0.023887 logG= -0.028781 Density= 0.106749 ETOT(band)= -0.117170 trlgG= -0.146970 logG= -0.028781 TDE= -0.171013 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023962 logG= -0.029180 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107440 ETOT(band)= -0.117107 trlgG= -0.147300 logG= -0.029180 TDE= -0.171286 logGD-logG0= -0.005301 tlogG= -0.023896 logG= -0.029197 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107750 ETOT(band)= -0.116985 trlgG= -0.147356 logG= -0.029197 TDE= -0.171479 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022847 logG= -0.027575 logGD-logG0= -0.004818 tlogG= -0.023683 logG= -0.028502 Density= 0.107290 ETOT(band)= -0.116291 trlgG= -0.145111 logG= -0.027575 TDE= -0.170628 Density= 0.107373 ETOT(band)= -0.116776 trlgG= -0.146452 logG= -0.028502 TDE= -0.171084 logGD-logG0= -0.005261 tlogG= -0.023866 logG= -0.029127 Density= 0.107914 ETOT(band)= -0.116852 trlgG= -0.147248 logG= -0.029127 TDE= -0.171522 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024055 logG= -0.029305 Density= 0.107946 ETOT(band)= -0.116959 trlgG= -0.147545 logG= -0.029305 TDE= -0.171658 logGD-logG0= -0.009446 tlogG= -0.045751 logG= -0.055197 Density= 0.215006 ETOT(band)= -0.232413 trlgG= -0.290122 logG= -0.055197 TDE= -0.341320 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023575 logG= -0.028874 Density= 0.107798 ETOT(band)= -0.116757 trlgG= -0.146834 logG= -0.028874 TDE= -0.171303 logGD-logG0= -0.009761 tlogG= -0.048236 logG= -0.057997 Density= 0.214392 ETOT(band)= -0.234257 trlgG= -0.294517 logG= -0.057997 TDE= -0.342612 logGD-logG0= -0.009627 tlogG= -0.047152 logG= -0.056779 Density= 0.213751 ETOT(band)= -0.233854 trlgG= -0.292945 logG= -0.056779 TDE= -0.341941 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009086 tlogG= -0.047624 logG= -0.056710 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212905 ETOT(band)= -0.234158 trlgG= -0.293020 logG= -0.056710 TDE= -0.341666 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.047893 logG= -0.057800 Density= 0.213957 ETOT(band)= -0.234297 trlgG= -0.294208 logG= -0.057800 TDE= -0.342285 logGD-logG0= -0.010483 tlogG= -0.047738 logG= -0.058221 Density= 0.214750 ETOT(band)= -0.234178 trlgG= -0.294353 logG= -0.058221 TDE= -0.342401 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009399 tlogG= -0.047440 logG= -0.056839 Density= 0.214299 ETOT(band)= -0.233682 trlgG= -0.293072 logG= -0.056839 TDE= -0.342280 logGD-logG0= -0.009790 tlogG= -0.047145 logG= -0.056935 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213763 ETOT(band)= -0.233898 trlgG= -0.292736 logG= -0.056935 TDE= -0.341582 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009517 tlogG= -0.047921 logG= -0.057439 Density= 0.213256 ETOT(band)= -0.234365 trlgG= -0.293664 logG= -0.057439 TDE= -0.341755 logGD-logG0= -0.010438 tlogG= -0.048072 logG= -0.058511 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215066 ETOT(band)= -0.234230 trlgG= -0.294863 logG= -0.058511 TDE= -0.342777 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010348 tlogG= -0.047778 logG= -0.058126 Density= 0.214648 ETOT(band)= -0.234172 trlgG= -0.294185 logG= -0.058126 TDE= -0.342278 logGD-logG0= -0.010031 tlogG= -0.048021 logG= -0.058051 logGD-logG0= -0.010149 tlogG= -0.047651 logG= -0.057800 Density= 0.213937 ETOT(band)= -0.234284 trlgG= -0.293960 logG= -0.057800 TDE= -0.342027 Density= 0.214523 ETOT(band)= -0.234202 trlgG= -0.294265 logG= -0.058051 TDE= -0.342370 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010287 tlogG= -0.047970 logG= -0.058257 logGD-logG0= -0.010520 tlogG= -0.048006 logG= -0.058526 Density= 0.215103 ETOT(band)= -0.234221 trlgG= -0.294890 logG= -0.058526 TDE= -0.342808 logGD-logG0= -0.004809 tlogG= -0.020981 logG= -0.025790 Density= 0.108709 ETOT(band)= -0.114338 trlgG= -0.141717 logG= -0.025790 TDE= -0.169722 Density= 0.215068 ETOT(band)= -0.234085 trlgG= -0.294446 logG= -0.058257 TDE= -0.342615 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009831 tlogG= -0.045639 logG= -0.055470 logGD-logG0= -0.010634 tlogG= -0.048135 logG= -0.058769 Density= 0.215139 ETOT(band)= -0.232488 trlgG= -0.290112 logG= -0.055470 TDE= -0.341103 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215421 ETOT(band)= -0.234245 trlgG= -0.295326 logG= -0.058769 TDE= -0.343158 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.047521 logG= -0.058094 Density= 0.215698 ETOT(band)= -0.233673 trlgG= -0.294229 logG= -0.058094 TDE= -0.342874 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010586 tlogG= -0.046867 logG= -0.057453 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047298 logG= -0.057675 Density= 0.214251 ETOT(band)= -0.234075 trlgG= -0.293435 logG= -0.057675 TDE= -0.341782 Density= 0.215425 ETOT(band)= -0.233438 trlgG= -0.293189 logG= -0.057453 TDE= -0.342339 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010498 tlogG= -0.047934 logG= -0.058432 logGD-logG0= -0.010146 tlogG= -0.046401 logG= -0.056547 Density= 0.215207 ETOT(band)= -0.233049 trlgG= -0.291746 logG= -0.056547 TDE= -0.341695 logGD-logG0= -0.010544 tlogG= -0.047410 logG= -0.057954 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215896 ETOT(band)= -0.233788 trlgG= -0.294791 logG= -0.058432 TDE= -0.343195 Density= 0.215464 ETOT(band)= -0.233715 trlgG= -0.293991 logG= -0.057954 TDE= -0.342659 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047216 logG= -0.056971 Density= 0.214466 ETOT(band)= -0.233642 trlgG= -0.292844 logG= -0.056971 TDE= -0.342002 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009726 tlogG= -0.045582 logG= -0.055307 Density= 0.214347 ETOT(band)= -0.232767 trlgG= -0.290303 logG= -0.055307 TDE= -0.341066 logGD-logG0= -0.010552 tlogG= -0.047883 logG= -0.058436 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215767 ETOT(band)= -0.233861 trlgG= -0.294794 logG= -0.058436 TDE= -0.343130 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.021812 logG= -0.026867 Density= 0.107782 ETOT(band)= -0.115587 trlgG= -0.143621 logG= -0.026867 TDE= -0.170090 logGD-logG0= -0.010057 tlogG= -0.047142 logG= -0.057199 Density= 0.215144 ETOT(band)= -0.233451 trlgG= -0.292765 logG= -0.057199 TDE= -0.342030 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.021689 logG= -0.026684 Density= 0.107926 ETOT(band)= -0.115394 trlgG= -0.143311 logG= -0.026684 TDE= -0.170034 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021556 logG= -0.026446 Density= 0.108512 ETOT(band)= -0.114927 trlgG= -0.142875 logG= -0.026446 TDE= -0.170126 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021867 logG= -0.026844 Density= 0.108321 ETOT(band)= -0.115294 trlgG= -0.143557 logG= -0.026844 TDE= -0.170315 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009985 tlogG= -0.043378 logG= -0.053363 Density= 0.216269 ETOT(band)= -0.230574 trlgG= -0.286595 logG= -0.053363 TDE= -0.340253 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005102 tlogG= -0.022433 logG= -0.027535 Density= 0.216364 ETOT(band)= -0.231389 trlgG= -0.288719 logG= -0.027535 TDE= -0.170625 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023410 logG= -0.028600 logGD-logG0= -0.004562 tlogG= -0.023969 logG= -0.028530 Density= 0.212789 ETOT(band)= -0.234394 trlgG= -0.293623 logG= -0.028530 TDE= -0.170892 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216196 ETOT(band)= -0.232760 trlgG= -0.292322 logG= -0.028600 TDE= -0.171249 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.024003 logG= -0.028725 Density= 0.214109 ETOT(band)= -0.234201 trlgG= -0.294261 logG= -0.028725 TDE= -0.171291 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023241 logG= -0.028006 Density= 0.213481 ETOT(band)= -0.233734 trlgG= -0.292359 logG= -0.028006 TDE= -0.170805 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023348 logG= -0.028768 Density= 0.215100 ETOT(band)= -0.233462 trlgG= -0.292840 logG= -0.028768 TDE= -0.171024 logGD-logG0= -0.004902 tlogG= -0.023877 logG= -0.028779 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 Density= 0.213774 ETOT(band)= -0.234126 trlgG= -0.293138 logG= -0.028779 TDE= -0.170854 Density= 0.070859 ETOT(band)= -0.077991 trlgG= -0.097500 logG= -0.009392 TDE= -0.056983 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024128 logG= -0.028412 Density= 0.212148 ETOT(band)= -0.234501 trlgG= -0.293828 logG= -0.028412 TDE= -0.171039 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062536 ETOT(band)= -0.067578 trlgG= -0.084245 logG= -0.006351 TDE= -0.042373 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080834 ETOT(band)= -0.087009 trlgG= -0.108654 logG= -0.006851 TDE= -0.042685 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007123 Density= 0.080646 ETOT(band)= -0.087653 trlgG= -0.110213 logG= -0.007123 TDE= -0.042827 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004472 tlogG= -0.023583 logG= -0.028055 Density= 0.212597 ETOT(band)= -0.234118 trlgG= -0.292878 logG= -0.028055 TDE= -0.170756 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080831 ETOT(band)= -0.087687 trlgG= -0.110410 logG= -0.007211 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005466 logG= -0.006687 logGD-logG0= -0.004587 tlogG= -0.023886 logG= -0.028473 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.081198 ETOT(band)= -0.086394 trlgG= -0.107412 logG= -0.006687 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080633 ETOT(band)= -0.087438 trlgG= -0.109658 logG= -0.007000 TDE= -0.042761 Density= 0.213264 ETOT(band)= -0.233982 trlgG= -0.292627 logG= -0.028473 TDE= -0.170843 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042691 trlgG= -0.052817 logG= -0.008447 TDE= -0.056481 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004951 tlogG= -0.022901 logG= -0.027851 Density= 0.214784 ETOT(band)= -0.232513 trlgG= -0.289815 logG= -0.027851 TDE= -0.170491 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071492 ETOT(band)= -0.077386 trlgG= -0.096198 logG= -0.009153 TDE= -0.056758 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023997 logG= -0.029203 Density= 0.215685 ETOT(band)= -0.233962 trlgG= -0.294949 logG= -0.029203 TDE= -0.171639 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005982 logG= -0.007254 Density= 0.081061 ETOT(band)= -0.087589 trlgG= -0.110461 logG= -0.007254 TDE= -0.042911 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023953 logG= -0.029014 Density= 0.214330 ETOT(band)= -0.234208 trlgG= -0.294043 logG= -0.029014 TDE= -0.171124 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022962 logG= -0.028125 Density= 0.216221 ETOT(band)= -0.232186 trlgG= -0.290706 logG= -0.028125 TDE= -0.170961 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023795 logG= -0.029035 Density= 0.215330 ETOT(band)= -0.233870 trlgG= -0.294293 logG= -0.029035 TDE= -0.171486 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023833 logG= -0.028650 Density= 0.213558 ETOT(band)= -0.234266 trlgG= -0.293875 logG= -0.028650 TDE= -0.171110 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.023366 logG= -0.028001 Density= 0.214170 ETOT(band)= -0.233488 trlgG= -0.292467 logG= -0.028001 TDE= -0.170969 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023189 logG= -0.028343 Density= 0.214857 ETOT(band)= -0.233065 trlgG= -0.291346 logG= -0.028343 TDE= -0.170680 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023995 logG= -0.029165 Density= 0.216357 ETOT(band)= -0.233440 trlgG= -0.294466 logG= -0.029165 TDE= -0.171656 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023840 logG= -0.028898 Density= 0.215493 ETOT(band)= -0.233865 trlgG= -0.294399 logG= -0.028898 TDE= -0.171175 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023476 logG= -0.028712 Density= 0.215208 ETOT(band)= -0.233436 trlgG= -0.293031 logG= -0.028712 TDE= -0.171229 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024002 logG= -0.028757 Density= 0.321551 ETOT(band)= -0.351278 trlgG= -0.441533 logG= -0.028757 TDE= -0.171286 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004666 tlogG= -0.023363 logG= -0.028029 Density= 0.321618 ETOT(band)= -0.350231 trlgG= -0.438955 logG= -0.028029 TDE= -0.170961 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.047778 logG= -0.058146 Density= 0.324351 ETOT(band)= -0.350066 trlgG= -0.441199 logG= -0.058146 TDE= -0.343152 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081558 ETOT(band)= -0.085724 trlgG= -0.106250 logG= -0.006506 TDE= -0.042475 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010144 tlogG= -0.045617 logG= -0.055760 Density= 0.324035 ETOT(band)= -0.348103 trlgG= -0.435145 logG= -0.055760 TDE= -0.341575 logGD-logG0= -0.005299 tlogG= -0.024119 logG= -0.029418 Density= 0.215717 ETOT(band)= -0.234118 trlgG= -0.295365 logG= -0.029418 TDE= -0.171672 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023952 logG= -0.029115 Density= 0.216391 ETOT(band)= -0.233336 trlgG= -0.294233 logG= -0.029115 TDE= -0.171629 logGD-logG0= -0.005183 tlogG= -0.023758 logG= -0.028940 logGD-logG0= -0.005027 tlogG= -0.024158 logG= -0.029185 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216278 ETOT(band)= -0.233138 trlgG= -0.293529 logG= -0.028940 TDE= -0.171488 Density= 0.322432 ETOT(band)= -0.351386 trlgG= -0.442209 logG= -0.029185 TDE= -0.171292 logGD-logG0= -0.005233 tlogG= -0.024078 logG= -0.029311 Density= 0.323057 ETOT(band)= -0.351355 trlgG= -0.442859 logG= -0.029311 TDE= -0.171486 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023895 logG= -0.029242 Density= 0.215644 ETOT(band)= -0.233864 trlgG= -0.294676 logG= -0.029242 TDE= -0.171495 logGD-logG0= -0.009649 tlogG= -0.046595 logG= -0.056244 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322691 ETOT(band)= -0.349179 trlgG= -0.436588 logG= -0.056244 TDE= -0.341729 logGD-logG0= -0.004777 tlogG= -0.022322 logG= -0.027098 logGD-logG0= -0.005001 tlogG= -0.024153 logG= -0.029154 Density= 0.215016 ETOT(band)= -0.232065 trlgG= -0.289215 logG= -0.027098 TDE= -0.170314 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214734 ETOT(band)= -0.234278 trlgG= -0.294656 logG= -0.029154 TDE= -0.171297 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023239 logG= -0.028252 logGD-logG0= -0.010416 tlogG= -0.047226 logG= -0.057642 Density= 0.321687 ETOT(band)= -0.350735 trlgG= -0.439806 logG= -0.028252 TDE= -0.170915 Density= 0.324131 ETOT(band)= -0.349700 trlgG= -0.439852 logG= -0.057642 TDE= -0.342759 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010414 tlogG= -0.046404 logG= -0.056819 Density= 0.323991 ETOT(band)= -0.349046 trlgG= -0.437766 logG= -0.056819 TDE= -0.342201 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007114 logG= -0.008802 Density= 0.072228 ETOT(band)= -0.076514 trlgG= -0.094878 logG= -0.008802 TDE= -0.056642 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010656 tlogG= -0.048031 logG= -0.058688 Density= 0.323243 ETOT(band)= -0.351145 trlgG= -0.442554 logG= -0.058688 TDE= -0.343147 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022287 logG= -0.027217 Density= 0.214244 ETOT(band)= -0.232557 trlgG= -0.289573 logG= -0.027217 TDE= -0.170227 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005396 tlogG= -0.023681 logG= -0.029076 Density= 0.215404 ETOT(band)= -0.233718 trlgG= -0.293979 logG= -0.029076 TDE= -0.171318 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008925 tlogG= -0.048089 logG= -0.057014 Density= 0.425494 ETOT(band)= -0.468588 trlgG= -0.586735 logG= -0.057014 TDE= -0.341900 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023954 logG= -0.029286 Density= 0.323659 ETOT(band)= -0.350815 trlgG= -0.442294 logG= -0.029286 TDE= -0.171544 logGD-logG0= -0.004898 tlogG= -0.022470 logG= -0.027368 Density= 0.215009 ETOT(band)= -0.231776 trlgG= -0.288169 logG= -0.027368 TDE= -0.170241 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048140 logG= -0.058250 logGD-logG0= -0.009606 tlogG= -0.047832 logG= -0.057438 Density= 0.428013 ETOT(band)= -0.468387 trlgG= -0.588108 logG= -0.057438 TDE= -0.342388 Density= 0.429285 ETOT(band)= -0.468490 trlgG= -0.588874 logG= -0.058250 TDE= -0.342434 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009468 tlogG= -0.046599 logG= -0.056067 Density= 0.428068 ETOT(band)= -0.467084 trlgG= -0.584714 logG= -0.056067 TDE= -0.341756 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021293 logG= -0.026184 Density= 0.162647 ETOT(band)= -0.173061 trlgG= -0.216000 logG= -0.026184 TDE= -0.169938 logGD-logG0= -0.010279 tlogG= -0.047948 logG= -0.058227 Density= 0.429188 ETOT(band)= -0.468453 trlgG= -0.588523 logG= -0.058227 TDE= -0.342276 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004416 tlogG= -0.023737 logG= -0.028153 logGD-logG0= -0.010222 tlogG= -0.047659 logG= -0.057881 Density= 0.428269 ETOT(band)= -0.468368 trlgG= -0.587439 logG= -0.057881 TDE= -0.342029 Density= 0.213066 ETOT(band)= -0.233708 trlgG= -0.291901 logG= -0.028153 TDE= -0.170841 logGD-logG0= -0.010721 tlogG= -0.047686 logG= -0.058407 Density= 0.431086 ETOT(band)= -0.467680 trlgG= -0.588951 logG= -0.058407 TDE= -0.342900 logGD-logG0= -0.010244 tlogG= -0.048212 logG= -0.058456 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430026 ETOT(band)= -0.468491 trlgG= -0.589643 logG= -0.058456 TDE= -0.342652 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010455 tlogG= -0.048061 logG= -0.058515 logGD-logG0= -0.010624 tlogG= -0.047718 logG= -0.058341 Density= 0.430743 ETOT(band)= -0.467739 trlgG= -0.588594 logG= -0.058341 TDE= -0.342793 logGD-logG0= -0.009572 tlogG= -0.047760 logG= -0.057332 Density= 0.427145 ETOT(band)= -0.468154 trlgG= -0.586098 logG= -0.057332 TDE= -0.341622 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430133 ETOT(band)= -0.468320 trlgG= -0.589314 logG= -0.058515 TDE= -0.342777 logGD-logG0= -0.009618 tlogG= -0.047640 logG= -0.057259 Density= 0.426639 ETOT(band)= -0.468608 trlgG= -0.587250 logG= -0.057259 TDE= -0.341920 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.047845 logG= -0.057627 Density= 0.429118 ETOT(band)= -0.468156 trlgG= -0.588072 logG= -0.057627 TDE= -0.342373 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.047551 logG= -0.057514 Density= 0.428584 ETOT(band)= -0.467711 trlgG= -0.586474 logG= -0.057514 TDE= -0.342073 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046920 logG= -0.057203 Density= 0.429861 ETOT(band)= -0.466695 trlgG= -0.584471 logG= -0.057203 TDE= -0.341743 logGD-logG0= -0.004817 tlogG= -0.022322 logG= -0.027139 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322856 ETOT(band)= -0.348147 trlgG= -0.434198 logG= -0.027139 TDE= -0.170308 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010645 tlogG= -0.048012 logG= -0.058657 Density= 0.431329 ETOT(band)= -0.467962 trlgG= -0.589945 logG= -0.058657 TDE= -0.343165 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046391 logG= -0.056289 Density= 0.429507 ETOT(band)= -0.465783 trlgG= -0.581772 logG= -0.056289 TDE= -0.341451 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.047257 logG= -0.057940 Density= 0.430470 ETOT(band)= -0.467316 trlgG= -0.587122 logG= -0.057940 TDE= -0.342409 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047560 logG= -0.057767 Density= 0.429995 ETOT(band)= -0.467341 trlgG= -0.586402 logG= -0.057767 TDE= -0.342189 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009414 tlogG= -0.046705 logG= -0.056119 Density= 0.427859 ETOT(band)= -0.466364 trlgG= -0.582108 logG= -0.056119 TDE= -0.341341 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.021343 logG= -0.026317 Density= 0.217016 ETOT(band)= -0.229279 trlgG= -0.284389 logG= -0.026317 TDE= -0.169952 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009933 tlogG= -0.044610 logG= -0.054543 Density= 0.324276 ETOT(band)= -0.346833 trlgG= -0.432130 logG= -0.054543 TDE= -0.340896 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.021198 logG= -0.026130 Density= 0.216338 ETOT(band)= -0.230144 trlgG= -0.285651 logG= -0.026130 TDE= -0.169858 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021872 logG= -0.026936 Density= 0.216622 ETOT(band)= -0.230389 trlgG= -0.286598 logG= -0.026936 TDE= -0.170285 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009781 tlogG= -0.044615 logG= -0.054395 Density= 0.431588 ETOT(band)= -0.462299 trlgG= -0.574975 logG= -0.054395 TDE= -0.340535 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.974345762060 eV TrLogG= -407.439908853302 eV Ratio to renormalize= 1.000070484533 rho-rho_expected=-0.001550550435 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964771928512137 0.940647083634670 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001401 tlogG= -0.008043 logG= -0.009444 Density= 0.035309 ETOT(band)= -0.039097 trlgG= -0.048993 logG= -0.009444 TDE= -0.057022 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 Density= 0.035488 ETOT(band)= -0.038945 trlgG= -0.048628 logG= -0.009292 TDE= -0.056898 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004336 tlogG= -0.023971 logG= -0.028308 Density= 0.106157 ETOT(band)= -0.117181 trlgG= -0.146739 logG= -0.028308 TDE= -0.170963 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023202 logG= -0.027811 Density= 0.106726 ETOT(band)= -0.116679 trlgG= -0.145529 logG= -0.027811 TDE= -0.170531 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010422 logG= -0.012817 Density= 0.054377 ETOT(band)= -0.057096 trlgG= -0.070718 logG= -0.012817 TDE= -0.084810 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001620 tlogG= -0.006989 logG= -0.008608 Density= 0.036195 ETOT(band)= -0.038143 trlgG= -0.047265 logG= -0.008608 TDE= -0.056568 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.020981 logG= -0.025790 Density= 0.108709 ETOT(band)= -0.114338 trlgG= -0.141717 logG= -0.025790 TDE= -0.169722 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.021813 logG= -0.026867 Density= 0.107783 ETOT(band)= -0.115587 trlgG= -0.143622 logG= -0.026867 TDE= -0.170090 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014626 Density= 0.053761 ETOT(band)= -0.058560 trlgG= -0.073714 logG= -0.014626 TDE= -0.085691 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011881 logG= -0.014201 Density= 0.053558 ETOT(band)= -0.058429 trlgG= -0.073295 logG= -0.014201 TDE= -0.085597 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002414 tlogG= -0.012080 logG= -0.014494 Density= 0.053581 ETOT(band)= -0.058572 trlgG= -0.073657 logG= -0.014494 TDE= -0.085677 logGD-logG0= -0.002326 tlogG= -0.011446 logG= -0.013771 Density= 0.053733 ETOT(band)= -0.058097 trlgG= -0.072529 logG= -0.013771 TDE= -0.085348 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 Density= 0.054138 ETOT(band)= -0.058320 trlgG= -0.073574 logG= -0.014534 TDE= -0.085830 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024048 logG= -0.028358 logGD-logG0= -0.005091 tlogG= -0.022977 logG= -0.028068 Density= 0.108133 ETOT(band)= -0.116158 trlgG= -0.145564 logG= -0.028068 TDE= -0.171005 Density= 0.106105 ETOT(band)= -0.117225 trlgG= -0.146852 logG= -0.028358 TDE= -0.171001 logGD-logG0= -0.005137 tlogG= -0.023759 logG= -0.028896 Density= 0.108178 ETOT(band)= -0.116590 trlgG= -0.146874 logG= -0.028896 TDE= -0.171510 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022450 logG= -0.027474 logGD-logG0= -0.005124 tlogG= -0.023946 logG= -0.029069 Density= 0.108229 ETOT(band)= -0.116664 trlgG= -0.147153 logG= -0.029069 TDE= -0.171640 logGD-logG0= -0.004941 tlogG= -0.022162 logG= -0.027104 Density= 0.108356 ETOT(band)= -0.115479 trlgG= -0.144006 logG= -0.027104 TDE= -0.170523 Density= 0.108200 ETOT(band)= -0.115785 trlgG= -0.144615 logG= -0.027474 TDE= -0.170684 logGD-logG0= -0.005133 tlogG= -0.023425 logG= -0.028558 Density= 0.108129 ETOT(band)= -0.116428 trlgG= -0.146339 logG= -0.028558 TDE= -0.171289 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024084 logG= -0.029359 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107887 ETOT(band)= -0.117027 trlgG= -0.147635 logG= -0.029359 TDE= -0.171664 logGD-logG0= -0.004851 tlogG= -0.022844 logG= -0.027696 Density= 0.107742 ETOT(band)= -0.116144 trlgG= -0.144982 logG= -0.027696 TDE= -0.170603 logGD-logG0= -0.004534 tlogG= -0.024042 logG= -0.028576 logGD-logG0= -0.004982 tlogG= -0.024088 logG= -0.029070 Density= 0.107375 ETOT(band)= -0.117087 trlgG= -0.147194 logG= -0.029070 TDE= -0.171258 Density= 0.106378 ETOT(band)= -0.117212 trlgG= -0.146859 logG= -0.028576 TDE= -0.170924 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.024130 logG= -0.029438 logGD-logG0= -0.005268 tlogG= -0.024066 logG= -0.029334 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107809 ETOT(band)= -0.117115 trlgG= -0.147761 logG= -0.029438 TDE= -0.171672 logGD-logG0= -0.005111 tlogG= -0.023867 logG= -0.028978 Density= 0.108249 ETOT(band)= -0.116600 trlgG= -0.147003 logG= -0.028978 TDE= -0.171593 Density= 0.107640 ETOT(band)= -0.117120 trlgG= -0.147573 logG= -0.029334 TDE= -0.171504 logGD-logG0= -0.005275 tlogG= -0.023679 logG= -0.028955 logGD-logG0= -0.004818 tlogG= -0.023683 logG= -0.028502 logGD-logG0= -0.005301 tlogG= -0.023896 logG= -0.029197 Density= 0.107750 ETOT(band)= -0.116986 trlgG= -0.147356 logG= -0.029197 TDE= -0.171479 Density= 0.107226 ETOT(band)= -0.117056 trlgG= -0.146906 logG= -0.028955 TDE= -0.171012 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022403 logG= -0.027403 Density= 0.107628 ETOT(band)= -0.116016 trlgG= -0.144498 logG= -0.027403 TDE= -0.170355 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 Density= 0.053982 ETOT(band)= -0.058442 trlgG= -0.073696 logG= -0.014607 TDE= -0.085802 Density= 0.107373 ETOT(band)= -0.116776 trlgG= -0.146452 logG= -0.028502 TDE= -0.171084 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.022727 logG= -0.027746 logGD-logG0= -0.004988 tlogG= -0.023637 logG= -0.028625 Density= 0.106971 ETOT(band)= -0.116986 trlgG= -0.146356 logG= -0.028625 TDE= -0.170665 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023600 logG= -0.028714 Density= 0.108203 ETOT(band)= -0.116474 trlgG= -0.146583 logG= -0.028714 TDE= -0.171413 logGD-logG0= -0.005218 tlogG= -0.023962 logG= -0.029180 Density= 0.107440 ETOT(band)= -0.117107 trlgG= -0.147300 logG= -0.029180 TDE= -0.171286 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108246 ETOT(band)= -0.115921 trlgG= -0.145052 logG= -0.027746 TDE= -0.170871 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023683 logG= -0.028379 logGD-logG0= -0.005100 tlogG= -0.022869 logG= -0.027969 Density= 0.107611 ETOT(band)= -0.116349 trlgG= -0.145395 logG= -0.027969 TDE= -0.170678 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106968 ETOT(band)= -0.116898 trlgG= -0.146546 logG= -0.028379 TDE= -0.171100 logGD-logG0= -0.004696 tlogG= -0.022986 logG= -0.027682 logGD-logG0= -0.004723 tlogG= -0.023496 logG= -0.028218 Density= 0.106764 ETOT(band)= -0.116869 trlgG= -0.146012 logG= -0.028218 TDE= -0.170626 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106862 ETOT(band)= -0.116547 trlgG= -0.145266 logG= -0.027682 TDE= -0.170465 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023664 logG= -0.028333 Density= 0.106588 ETOT(band)= -0.117017 trlgG= -0.146443 logG= -0.028333 TDE= -0.170856 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023210 logG= -0.028294 Density= 0.108193 ETOT(band)= -0.116251 trlgG= -0.145919 logG= -0.028294 TDE= -0.171164 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024065 logG= -0.028935 logGD-logG0= -0.005292 tlogG= -0.023189 logG= -0.028481 Density= 0.107679 ETOT(band)= -0.116596 trlgG= -0.146205 logG= -0.028481 TDE= -0.171009 logGD-logG0= -0.004894 tlogG= -0.023887 logG= -0.028781 Density= 0.106749 ETOT(band)= -0.117170 trlgG= -0.146970 logG= -0.028781 TDE= -0.171013 Density= 0.107050 ETOT(band)= -0.117150 trlgG= -0.147222 logG= -0.028935 TDE= -0.171262 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024055 logG= -0.029305 Density= 0.107946 ETOT(band)= -0.116959 trlgG= -0.147545 logG= -0.029305 TDE= -0.171658 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022847 logG= -0.027575 Density= 0.107290 ETOT(band)= -0.116291 trlgG= -0.145111 logG= -0.027575 TDE= -0.170628 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023866 logG= -0.029127 Density= 0.107914 ETOT(band)= -0.116852 trlgG= -0.147249 logG= -0.029127 TDE= -0.171523 logGD-logG0= -0.009761 tlogG= -0.048236 logG= -0.057997 Density= 0.214392 ETOT(band)= -0.234257 trlgG= -0.294517 logG= -0.057997 TDE= -0.342612 logGD-logG0= -0.009446 tlogG= -0.045751 logG= -0.055197 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215006 ETOT(band)= -0.232414 trlgG= -0.290122 logG= -0.055197 TDE= -0.341321 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009627 tlogG= -0.047152 logG= -0.056779 Density= 0.213751 ETOT(band)= -0.233854 trlgG= -0.292946 logG= -0.056779 TDE= -0.341942 logGD-logG0= -0.005299 tlogG= -0.023575 logG= -0.028874 logGD-logG0= -0.009726 tlogG= -0.045582 logG= -0.055307 Density= 0.214348 ETOT(band)= -0.232767 trlgG= -0.290303 logG= -0.055307 TDE= -0.341066 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107798 ETOT(band)= -0.116757 trlgG= -0.146834 logG= -0.028874 TDE= -0.171303 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.047893 logG= -0.057800 Density= 0.213957 ETOT(band)= -0.234297 trlgG= -0.294208 logG= -0.057800 TDE= -0.342285 logGD-logG0= -0.009086 tlogG= -0.047624 logG= -0.056710 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212905 ETOT(band)= -0.234158 trlgG= -0.293020 logG= -0.056710 TDE= -0.341666 logGD-logG0= -0.010483 tlogG= -0.047738 logG= -0.058221 Density= 0.214750 ETOT(band)= -0.234178 trlgG= -0.294353 logG= -0.058221 TDE= -0.342401 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.048073 logG= -0.058511 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009517 tlogG= -0.047922 logG= -0.057439 Density= 0.215066 ETOT(band)= -0.234230 trlgG= -0.294863 logG= -0.058511 TDE= -0.342777 Density= 0.213256 ETOT(band)= -0.234365 trlgG= -0.293664 logG= -0.057439 TDE= -0.341756 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 logGD-logG0= -0.010287 tlogG= -0.047970 logG= -0.058257 Density= 0.035841 ETOT(band)= -0.038594 trlgG= -0.047928 logG= -0.008988 TDE= -0.056676 Density= 0.215068 ETOT(band)= -0.234085 trlgG= -0.294446 logG= -0.058257 TDE= -0.342615 logGD-logG0= -0.010348 tlogG= -0.047778 logG= -0.058126 logGD-logG0= -0.009831 tlogG= -0.045639 logG= -0.055470 Density= 0.215139 ETOT(band)= -0.232488 trlgG= -0.290112 logG= -0.055470 TDE= -0.341103 Density= 0.214648 ETOT(band)= -0.234172 trlgG= -0.294185 logG= -0.058126 TDE= -0.342278 logGD-logG0= -0.009790 tlogG= -0.047145 logG= -0.056935 logGD-logG0= -0.009399 tlogG= -0.047440 logG= -0.056839 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214299 ETOT(band)= -0.233682 trlgG= -0.293073 logG= -0.056839 TDE= -0.342280 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213763 ETOT(band)= -0.233898 trlgG= -0.292737 logG= -0.056935 TDE= -0.341582 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010586 tlogG= -0.046867 logG= -0.057453 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.048021 logG= -0.058051 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010149 tlogG= -0.047651 logG= -0.057800 Density= 0.213937 ETOT(band)= -0.234284 trlgG= -0.293960 logG= -0.057800 TDE= -0.342027 Density= 0.214523 ETOT(band)= -0.234203 trlgG= -0.294265 logG= -0.058051 TDE= -0.342370 Density= 0.215425 ETOT(band)= -0.233438 trlgG= -0.293189 logG= -0.057453 TDE= -0.342339 logGD-logG0= -0.010520 tlogG= -0.048006 logG= -0.058526 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010572 tlogG= -0.047521 logG= -0.058094 Density= 0.215103 ETOT(band)= -0.234221 trlgG= -0.294890 logG= -0.058526 TDE= -0.342808 Density= 0.215698 ETOT(band)= -0.233673 trlgG= -0.294229 logG= -0.058094 TDE= -0.342874 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010498 tlogG= -0.047934 logG= -0.058432 logGD-logG0= -0.010634 tlogG= -0.048135 logG= -0.058769 Density= 0.215896 ETOT(band)= -0.233788 trlgG= -0.294791 logG= -0.058432 TDE= -0.343195 Density= 0.215421 ETOT(band)= -0.234245 trlgG= -0.295326 logG= -0.058769 TDE= -0.343158 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 Density= 0.070859 ETOT(band)= -0.077991 trlgG= -0.097500 logG= -0.009392 TDE= -0.056983 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.047410 logG= -0.057954 logGD-logG0= -0.010552 tlogG= -0.047883 logG= -0.058436 Density= 0.215767 ETOT(band)= -0.233862 trlgG= -0.294794 logG= -0.058436 TDE= -0.343131 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047298 logG= -0.057675 Density= 0.214251 ETOT(band)= -0.234075 trlgG= -0.293436 logG= -0.057675 TDE= -0.341783 Density= 0.215464 ETOT(band)= -0.233715 trlgG= -0.293991 logG= -0.057954 TDE= -0.342660 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047142 logG= -0.057199 Density= 0.215144 ETOT(band)= -0.233451 trlgG= -0.292765 logG= -0.057199 TDE= -0.342030 logGD-logG0= -0.009755 tlogG= -0.047216 logG= -0.056971 Density= 0.214466 ETOT(band)= -0.233642 trlgG= -0.292844 logG= -0.056971 TDE= -0.342002 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010838 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057615 trlgG= -0.071567 logG= -0.013294 TDE= -0.085026 logGD-logG0= -0.010146 tlogG= -0.046401 logG= -0.056547 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215207 ETOT(band)= -0.233049 trlgG= -0.291747 logG= -0.056547 TDE= -0.341695 logGD-logG0= -0.004472 tlogG= -0.023583 logG= -0.028055 Density= 0.212597 ETOT(band)= -0.234118 trlgG= -0.292878 logG= -0.028055 TDE= -0.170756 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062536 ETOT(band)= -0.067578 trlgG= -0.084245 logG= -0.006351 TDE= -0.042373 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021556 logG= -0.026446 logGD-logG0= -0.004976 tlogG= -0.021867 logG= -0.026844 Density= 0.108512 ETOT(band)= -0.114927 trlgG= -0.142876 logG= -0.026446 TDE= -0.170126 Density= 0.108321 ETOT(band)= -0.115295 trlgG= -0.143557 logG= -0.026844 TDE= -0.170316 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004416 tlogG= -0.023737 logG= -0.028153 Density= 0.213066 ETOT(band)= -0.233708 trlgG= -0.291901 logG= -0.028153 TDE= -0.170841 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.021689 logG= -0.026684 Density= 0.107926 ETOT(band)= -0.115394 trlgG= -0.143311 logG= -0.026684 TDE= -0.170034 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009985 tlogG= -0.043378 logG= -0.053363 Density= 0.216269 ETOT(band)= -0.230574 trlgG= -0.286595 logG= -0.053363 TDE= -0.340253 logGD-logG0= -0.001688 tlogG= -0.007114 logG= -0.008802 Density= 0.072228 ETOT(band)= -0.076514 trlgG= -0.094878 logG= -0.008802 TDE= -0.056642 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004898 tlogG= -0.022470 logG= -0.027368 Density= 0.215009 ETOT(band)= -0.231776 trlgG= -0.288169 logG= -0.027368 TDE= -0.170241 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.081558 ETOT(band)= -0.085724 trlgG= -0.106250 logG= -0.006506 TDE= -0.042475 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021343 logG= -0.026317 Density= 0.217016 ETOT(band)= -0.229279 trlgG= -0.284390 logG= -0.026317 TDE= -0.169952 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.080633 ETOT(band)= -0.087438 trlgG= -0.109658 logG= -0.007000 TDE= -0.042761 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007123 Density= 0.080834 ETOT(band)= -0.087009 trlgG= -0.108654 logG= -0.006851 TDE= -0.042685 Density= 0.080646 ETOT(band)= -0.087653 trlgG= -0.110213 logG= -0.007123 TDE= -0.042827 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080831 ETOT(band)= -0.087687 trlgG= -0.110410 logG= -0.007211 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023997 logG= -0.029203 Density= 0.215685 ETOT(band)= -0.233962 trlgG= -0.294949 logG= -0.029203 TDE= -0.171639 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005982 logG= -0.007254 Density= 0.081061 ETOT(band)= -0.087589 trlgG= -0.110461 logG= -0.007254 TDE= -0.042911 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023795 logG= -0.029035 Density= 0.215330 ETOT(band)= -0.233870 trlgG= -0.294294 logG= -0.029035 TDE= -0.171486 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023476 logG= -0.028712 Density= 0.215208 ETOT(band)= -0.233436 trlgG= -0.293031 logG= -0.028712 TDE= -0.171229 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023840 logG= -0.028898 Density= 0.215493 ETOT(band)= -0.233865 trlgG= -0.294399 logG= -0.028898 TDE= -0.171175 logGD-logG0= -0.004755 tlogG= -0.024002 logG= -0.028757 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321551 ETOT(band)= -0.351279 trlgG= -0.441533 logG= -0.028757 TDE= -0.171286 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024129 logG= -0.028412 Density= 0.212148 ETOT(band)= -0.234501 trlgG= -0.293829 logG= -0.028412 TDE= -0.171040 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023995 logG= -0.029165 Density= 0.216357 ETOT(band)= -0.233440 trlgG= -0.294466 logG= -0.029165 TDE= -0.171656 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024119 logG= -0.029418 Density= 0.215717 ETOT(band)= -0.234118 trlgG= -0.295365 logG= -0.029418 TDE= -0.171672 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024158 logG= -0.029185 Density= 0.322432 ETOT(band)= -0.351386 trlgG= -0.442209 logG= -0.029185 TDE= -0.171292 logGD-logG0= -0.005102 tlogG= -0.022433 logG= -0.027535 Density= 0.216364 ETOT(band)= -0.231389 trlgG= -0.288719 logG= -0.027535 TDE= -0.170626 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023953 logG= -0.029014 Density= 0.214330 ETOT(band)= -0.234208 trlgG= -0.294043 logG= -0.029014 TDE= -0.171124 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023952 logG= -0.029115 Density= 0.216391 ETOT(band)= -0.233336 trlgG= -0.294234 logG= -0.029115 TDE= -0.171629 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.047778 logG= -0.058146 Density= 0.324352 ETOT(band)= -0.350066 trlgG= -0.441199 logG= -0.058146 TDE= -0.343152 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004562 tlogG= -0.023969 logG= -0.028530 Density= 0.212789 ETOT(band)= -0.234394 trlgG= -0.293623 logG= -0.028530 TDE= -0.170892 logGD-logG0= -0.005163 tlogG= -0.022962 logG= -0.028125 Density= 0.216221 ETOT(band)= -0.232187 trlgG= -0.290706 logG= -0.028125 TDE= -0.170961 logGD-logG0= -0.005001 tlogG= -0.024153 logG= -0.029154 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214734 ETOT(band)= -0.234278 trlgG= -0.294656 logG= -0.029154 TDE= -0.171297 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.048031 logG= -0.058688 logGD-logG0= -0.004587 tlogG= -0.023886 logG= -0.028473 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323243 ETOT(band)= -0.351146 trlgG= -0.442554 logG= -0.058688 TDE= -0.343147 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042691 trlgG= -0.052817 logG= -0.008447 TDE= -0.056481 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213264 ETOT(band)= -0.233982 trlgG= -0.292627 logG= -0.028473 TDE= -0.170844 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.023877 logG= -0.028779 logGD-logG0= -0.005183 tlogG= -0.023758 logG= -0.028940 Density= 0.213774 ETOT(band)= -0.234126 trlgG= -0.293138 logG= -0.028779 TDE= -0.170854 Density= 0.216279 ETOT(band)= -0.233138 trlgG= -0.293530 logG= -0.028940 TDE= -0.171488 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.024078 logG= -0.029311 Density= 0.323057 ETOT(band)= -0.351355 trlgG= -0.442859 logG= -0.029311 TDE= -0.171486 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010144 tlogG= -0.045617 logG= -0.055760 logGD-logG0= -0.004765 tlogG= -0.023241 logG= -0.028006 Density= 0.213481 ETOT(band)= -0.233734 trlgG= -0.292359 logG= -0.028006 TDE= -0.170806 logGD-logG0= -0.005013 tlogG= -0.023239 logG= -0.028252 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324035 ETOT(band)= -0.348103 trlgG= -0.435145 logG= -0.055760 TDE= -0.341576 Density= 0.321688 ETOT(band)= -0.350736 trlgG= -0.439807 logG= -0.028252 TDE= -0.170915 logGD-logG0= -0.010414 tlogG= -0.046404 logG= -0.056819 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.047226 logG= -0.057642 Density= 0.324131 ETOT(band)= -0.349701 trlgG= -0.439852 logG= -0.057642 TDE= -0.342760 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009649 tlogG= -0.046595 logG= -0.056244 Density= 0.322691 ETOT(band)= -0.349179 trlgG= -0.436589 logG= -0.056244 TDE= -0.341730 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.022901 logG= -0.027851 Density= 0.214784 ETOT(band)= -0.232513 trlgG= -0.289815 logG= -0.027851 TDE= -0.170492 Density= 0.323991 ETOT(band)= -0.349046 trlgG= -0.437766 logG= -0.056819 TDE= -0.342201 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004666 tlogG= -0.023363 logG= -0.028029 Density= 0.321618 ETOT(band)= -0.350231 trlgG= -0.438956 logG= -0.028029 TDE= -0.170961 logGD-logG0= -0.005347 tlogG= -0.023895 logG= -0.029242 logGD-logG0= -0.004634 tlogG= -0.023366 logG= -0.028001 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.024003 logG= -0.028725 Density= 0.214109 ETOT(band)= -0.234201 trlgG= -0.294261 logG= -0.028725 TDE= -0.171291 Density= 0.215644 ETOT(band)= -0.233865 trlgG= -0.294676 logG= -0.029242 TDE= -0.171496 Density= 0.214170 ETOT(band)= -0.233488 trlgG= -0.292467 logG= -0.028001 TDE= -0.170969 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023348 logG= -0.028769 logGD-logG0= -0.004817 tlogG= -0.023833 logG= -0.028650 Density= 0.213558 ETOT(band)= -0.234266 trlgG= -0.293876 logG= -0.028650 TDE= -0.171110 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023189 logG= -0.028343 Density= 0.214857 ETOT(band)= -0.233065 trlgG= -0.291347 logG= -0.028343 TDE= -0.170680 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215100 ETOT(band)= -0.233463 trlgG= -0.292841 logG= -0.028769 TDE= -0.171024 logGD-logG0= -0.005332 tlogG= -0.023954 logG= -0.029286 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323659 ETOT(band)= -0.350815 trlgG= -0.442294 logG= -0.029286 TDE= -0.171544 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071492 ETOT(band)= -0.077386 trlgG= -0.096198 logG= -0.009153 TDE= -0.056758 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009414 tlogG= -0.046705 logG= -0.056119 Density= 0.427859 ETOT(band)= -0.466364 trlgG= -0.582108 logG= -0.056119 TDE= -0.341342 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009606 tlogG= -0.047832 logG= -0.057438 Density= 0.428013 ETOT(band)= -0.468387 trlgG= -0.588109 logG= -0.057438 TDE= -0.342388 logGD-logG0= -0.008925 tlogG= -0.048089 logG= -0.057014 Density= 0.425494 ETOT(band)= -0.468588 trlgG= -0.586735 logG= -0.057014 TDE= -0.341901 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048140 logG= -0.058250 Density= 0.429285 ETOT(band)= -0.468491 trlgG= -0.588874 logG= -0.058250 TDE= -0.342434 logGD-logG0= -0.005396 tlogG= -0.023681 logG= -0.029076 Density= 0.215404 ETOT(band)= -0.233718 trlgG= -0.293979 logG= -0.029076 TDE= -0.171318 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009468 tlogG= -0.046599 logG= -0.056067 Density= 0.428068 ETOT(band)= -0.467084 trlgG= -0.584714 logG= -0.056067 TDE= -0.341756 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023410 logG= -0.028600 Density= 0.216196 ETOT(band)= -0.232760 trlgG= -0.292323 logG= -0.028600 TDE= -0.171249 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021293 logG= -0.026184 logGD-logG0= -0.010455 tlogG= -0.048061 logG= -0.058515 Density= 0.162647 ETOT(band)= -0.173062 trlgG= -0.216000 logG= -0.026184 TDE= -0.169938 Density= 0.430133 ETOT(band)= -0.468321 trlgG= -0.589314 logG= -0.058515 TDE= -0.342777 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010279 tlogG= -0.047948 logG= -0.058227 Density= 0.429188 ETOT(band)= -0.468453 trlgG= -0.588523 logG= -0.058227 TDE= -0.342276 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010721 tlogG= -0.047686 logG= -0.058407 logGD-logG0= -0.010244 tlogG= -0.048212 logG= -0.058456 Density= 0.431086 ETOT(band)= -0.467681 trlgG= -0.588952 logG= -0.058407 TDE= -0.342900 Density= 0.430026 ETOT(band)= -0.468491 trlgG= -0.589643 logG= -0.058456 TDE= -0.342652 logGD-logG0= -0.009618 tlogG= -0.047640 logG= -0.057259 Density= 0.426640 ETOT(band)= -0.468608 trlgG= -0.587251 logG= -0.057259 TDE= -0.341920 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010624 tlogG= -0.047718 logG= -0.058341 Density= 0.430743 ETOT(band)= -0.467740 trlgG= -0.588595 logG= -0.058341 TDE= -0.342793 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.047845 logG= -0.057627 Density= 0.429118 ETOT(band)= -0.468156 trlgG= -0.588073 logG= -0.057627 TDE= -0.342373 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046391 logG= -0.056289 logGD-logG0= -0.010221 tlogG= -0.047660 logG= -0.057881 Density= 0.429507 ETOT(band)= -0.465783 trlgG= -0.581772 logG= -0.056289 TDE= -0.341451 Density= 0.428269 ETOT(band)= -0.468368 trlgG= -0.587439 logG= -0.057881 TDE= -0.342029 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.048012 logG= -0.058657 Density= 0.431329 ETOT(band)= -0.467963 trlgG= -0.589945 logG= -0.058657 TDE= -0.343165 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.047257 logG= -0.057940 Density= 0.430470 ETOT(band)= -0.467317 trlgG= -0.587123 logG= -0.057940 TDE= -0.342409 logGD-logG0= -0.009572 tlogG= -0.047760 logG= -0.057332 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427145 ETOT(band)= -0.468154 trlgG= -0.586098 logG= -0.057332 TDE= -0.341622 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022322 logG= -0.027139 Density= 0.322856 ETOT(band)= -0.348147 trlgG= -0.434199 logG= -0.027139 TDE= -0.170308 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009963 tlogG= -0.047551 logG= -0.057514 Density= 0.428585 ETOT(band)= -0.467711 trlgG= -0.586475 logG= -0.057514 TDE= -0.342073 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047560 logG= -0.057767 Density= 0.429995 ETOT(band)= -0.467341 trlgG= -0.586403 logG= -0.057767 TDE= -0.342189 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005466 logG= -0.006687 Density= 0.081198 ETOT(band)= -0.086394 trlgG= -0.107412 logG= -0.006687 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010283 tlogG= -0.046920 logG= -0.057203 Density= 0.429862 ETOT(band)= -0.466695 trlgG= -0.584472 logG= -0.057203 TDE= -0.341743 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.022322 logG= -0.027098 Density= 0.215016 ETOT(band)= -0.232065 trlgG= -0.289215 logG= -0.027098 TDE= -0.170314 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009933 tlogG= -0.044610 logG= -0.054544 Density= 0.324276 ETOT(band)= -0.346833 trlgG= -0.432131 logG= -0.054544 TDE= -0.340896 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022287 logG= -0.027218 Density= 0.214244 ETOT(band)= -0.232557 trlgG= -0.289573 logG= -0.027218 TDE= -0.170227 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021872 logG= -0.026936 Density= 0.216622 ETOT(band)= -0.230389 trlgG= -0.286598 logG= -0.026936 TDE= -0.170285 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021198 logG= -0.026130 Density= 0.216338 ETOT(band)= -0.230144 trlgG= -0.285652 logG= -0.026130 TDE= -0.169858 logGD-logG0= -0.009781 tlogG= -0.044615 logG= -0.054395 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431588 ETOT(band)= -0.462299 trlgG= -0.574976 logG= -0.054395 TDE= -0.340535 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.974524612098 eV TrLogG= -407.440214398606 eV Ratio to renormalize= 1.000070207442 rho-rho_expected=-0.001544455300 nargs= 1 argi=dmft2.def 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964760998885538 0.940636992561115 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002326 tlogG= -0.011446 logG= -0.013772 Density= 0.053734 ETOT(band)= -0.058097 trlgG= -0.072530 logG= -0.013772 TDE= -0.085348 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024042 logG= -0.028576 Density= 0.106378 ETOT(band)= -0.117213 trlgG= -0.146860 logG= -0.028576 TDE= -0.170926 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022163 logG= -0.027104 Density= 0.108357 ETOT(band)= -0.115479 trlgG= -0.144008 logG= -0.027104 TDE= -0.170524 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023680 logG= -0.028955 logGD-logG0= -0.004988 tlogG= -0.023638 logG= -0.028626 Density= 0.106971 ETOT(band)= -0.116987 trlgG= -0.146358 logG= -0.028626 TDE= -0.170667 Density= 0.107227 ETOT(band)= -0.117057 trlgG= -0.146907 logG= -0.028955 TDE= -0.171013 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023665 logG= -0.028333 Density= 0.106588 ETOT(band)= -0.117018 trlgG= -0.146445 logG= -0.028333 TDE= -0.170857 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023683 logG= -0.028379 Density= 0.106968 ETOT(band)= -0.116899 trlgG= -0.146548 logG= -0.028379 TDE= -0.171102 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023190 logG= -0.028481 Density= 0.107680 ETOT(band)= -0.116597 trlgG= -0.146206 logG= -0.028481 TDE= -0.171010 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011882 logG= -0.014201 Density= 0.053558 ETOT(band)= -0.058429 trlgG= -0.073295 logG= -0.014201 TDE= -0.085598 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 logGD-logG0= -0.002414 tlogG= -0.012080 logG= -0.014495 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053582 ETOT(band)= -0.058573 trlgG= -0.073657 logG= -0.014495 TDE= -0.085678 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014627 Density= 0.053761 ETOT(band)= -0.058560 trlgG= -0.073714 logG= -0.014627 TDE= -0.085691 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008044 logG= -0.009445 Density= 0.035309 ETOT(band)= -0.039097 trlgG= -0.048994 logG= -0.009445 TDE= -0.057022 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 Density= 0.035489 ETOT(band)= -0.038945 trlgG= -0.048629 logG= -0.009292 TDE= -0.056898 Density= 0.054138 ETOT(band)= -0.058320 trlgG= -0.073575 logG= -0.014534 TDE= -0.085831 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023760 logG= -0.028896 logGD-logG0= -0.005024 tlogG= -0.022451 logG= -0.027475 Density= 0.108200 ETOT(band)= -0.115786 trlgG= -0.144617 logG= -0.027475 TDE= -0.170685 logGD-logG0= -0.004309 tlogG= -0.024049 logG= -0.028358 Density= 0.106106 ETOT(band)= -0.117227 trlgG= -0.146854 logG= -0.028358 TDE= -0.171002 logGD-logG0= -0.005132 tlogG= -0.023426 logG= -0.028558 Density= 0.108130 ETOT(band)= -0.116429 trlgG= -0.146340 logG= -0.028558 TDE= -0.171290 Density= 0.108178 ETOT(band)= -0.116591 trlgG= -0.146876 logG= -0.028896 TDE= -0.171511 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023946 logG= -0.029070 logGD-logG0= -0.005091 tlogG= -0.022977 logG= -0.028068 Density= 0.108133 ETOT(band)= -0.116159 trlgG= -0.145565 logG= -0.028068 TDE= -0.171006 Density= 0.108229 ETOT(band)= -0.116665 trlgG= -0.147154 logG= -0.029070 TDE= -0.171642 logGD-logG0= -0.005268 tlogG= -0.024066 logG= -0.029334 Density= 0.107641 ETOT(band)= -0.117121 trlgG= -0.147574 logG= -0.029334 TDE= -0.171506 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023202 logG= -0.027812 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 Density= 0.053983 ETOT(band)= -0.058442 trlgG= -0.073697 logG= -0.014607 TDE= -0.085803 Density= 0.106726 ETOT(band)= -0.116680 trlgG= -0.145531 logG= -0.027812 TDE= -0.170533 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023601 logG= -0.028714 logGD-logG0= -0.005084 tlogG= -0.023211 logG= -0.028294 Density= 0.108203 ETOT(band)= -0.116475 trlgG= -0.146584 logG= -0.028714 TDE= -0.171414 Density= 0.108193 ETOT(band)= -0.116252 trlgG= -0.145921 logG= -0.028294 TDE= -0.171166 logGD-logG0= -0.005111 tlogG= -0.023867 logG= -0.028978 logGD-logG0= -0.005019 tlogG= -0.022728 logG= -0.027747 Density= 0.108246 ETOT(band)= -0.115922 trlgG= -0.145053 logG= -0.027747 TDE= -0.170872 Density= 0.108250 ETOT(band)= -0.116601 trlgG= -0.147005 logG= -0.028978 TDE= -0.171594 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.024131 logG= -0.029438 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023963 logG= -0.029181 logGD-logG0= -0.005275 tlogG= -0.024084 logG= -0.029359 Density= 0.107887 ETOT(band)= -0.117028 trlgG= -0.147636 logG= -0.029359 TDE= -0.171665 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022403 logG= -0.027403 Density= 0.107628 ETOT(band)= -0.116017 trlgG= -0.144500 logG= -0.027403 TDE= -0.170357 Density= 0.107810 ETOT(band)= -0.117116 trlgG= -0.147763 logG= -0.029438 TDE= -0.171674 logGD-logG0= -0.005301 tlogG= -0.023896 logG= -0.029198 Density= 0.107750 ETOT(band)= -0.116987 trlgG= -0.147358 logG= -0.029198 TDE= -0.171480 Density= 0.107441 ETOT(band)= -0.117108 trlgG= -0.147301 logG= -0.029181 TDE= -0.171288 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.022869 logG= -0.027969 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107611 ETOT(band)= -0.116350 trlgG= -0.145397 logG= -0.027969 TDE= -0.170679 logGD-logG0= -0.004818 tlogG= -0.023684 logG= -0.028502 logGD-logG0= -0.004696 tlogG= -0.022986 logG= -0.027682 Density= 0.106863 ETOT(band)= -0.116548 trlgG= -0.145267 logG= -0.027682 TDE= -0.170466 Density= 0.107373 ETOT(band)= -0.116777 trlgG= -0.146454 logG= -0.028502 TDE= -0.171085 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004894 tlogG= -0.023888 logG= -0.028782 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024066 logG= -0.028935 Density= 0.106749 ETOT(band)= -0.117171 trlgG= -0.146971 logG= -0.028782 TDE= -0.171015 Density= 0.107051 ETOT(band)= -0.117151 trlgG= -0.147224 logG= -0.028935 TDE= -0.171263 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022848 logG= -0.027576 Density= 0.107290 ETOT(band)= -0.116292 trlgG= -0.145113 logG= -0.027576 TDE= -0.170630 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023867 logG= -0.029128 Density= 0.107915 ETOT(band)= -0.116853 trlgG= -0.147250 logG= -0.029128 TDE= -0.171524 logGD-logG0= -0.005299 tlogG= -0.023576 logG= -0.028875 Density= 0.107798 ETOT(band)= -0.116758 trlgG= -0.146835 logG= -0.028875 TDE= -0.171304 logGD-logG0= -0.002396 tlogG= -0.010422 logG= -0.012818 Density= 0.054378 ETOT(band)= -0.057096 trlgG= -0.070719 logG= -0.012818 TDE= -0.084810 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024056 logG= -0.029305 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107946 ETOT(band)= -0.116960 trlgG= -0.147547 logG= -0.029305 TDE= -0.171659 logGD-logG0= -0.009445 tlogG= -0.045752 logG= -0.055197 Density= 0.215006 ETOT(band)= -0.232416 trlgG= -0.290125 logG= -0.055197 TDE= -0.341323 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009725 tlogG= -0.045583 logG= -0.055308 Density= 0.214348 ETOT(band)= -0.232769 trlgG= -0.290306 logG= -0.055308 TDE= -0.341069 logGD-logG0= -0.009626 tlogG= -0.047153 logG= -0.056779 Density= 0.213752 ETOT(band)= -0.233856 trlgG= -0.292949 logG= -0.056779 TDE= -0.341944 logGD-logG0= -0.010483 tlogG= -0.047739 logG= -0.058222 Density= 0.214751 ETOT(band)= -0.234180 trlgG= -0.294356 logG= -0.058222 TDE= -0.342404 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009760 tlogG= -0.048237 logG= -0.057998 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214392 ETOT(band)= -0.234259 trlgG= -0.294521 logG= -0.057998 TDE= -0.342615 logGD-logG0= -0.009517 tlogG= -0.047922 logG= -0.057439 Density= 0.213257 ETOT(band)= -0.234367 trlgG= -0.293667 logG= -0.057439 TDE= -0.341758 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009906 tlogG= -0.047894 logG= -0.057801 Density= 0.213957 ETOT(band)= -0.234299 trlgG= -0.294211 logG= -0.057801 TDE= -0.342288 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.047146 logG= -0.056936 Density= 0.213763 ETOT(band)= -0.233900 trlgG= -0.292740 logG= -0.056936 TDE= -0.341585 logGD-logG0= -0.009399 tlogG= -0.047441 logG= -0.056839 logGD-logG0= -0.010438 tlogG= -0.048073 logG= -0.058511 Density= 0.214300 ETOT(band)= -0.233684 trlgG= -0.293076 logG= -0.056839 TDE= -0.342282 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215067 ETOT(band)= -0.234232 trlgG= -0.294866 logG= -0.058511 TDE= -0.342780 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009831 tlogG= -0.045640 logG= -0.055471 Density= 0.215139 ETOT(band)= -0.232490 trlgG= -0.290115 logG= -0.055471 TDE= -0.341106 logGD-logG0= -0.010149 tlogG= -0.047652 logG= -0.057801 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 Density= 0.035841 ETOT(band)= -0.038594 trlgG= -0.047929 logG= -0.008988 TDE= -0.056676 logGD-logG0= -0.001619 tlogG= -0.006989 logG= -0.008608 Density= 0.036195 ETOT(band)= -0.038143 trlgG= -0.047265 logG= -0.008608 TDE= -0.056568 logGD-logG0= -0.010520 tlogG= -0.048006 logG= -0.058526 logGD-logG0= -0.010348 tlogG= -0.047779 logG= -0.058127 Density= 0.214649 ETOT(band)= -0.234175 trlgG= -0.294188 logG= -0.058127 TDE= -0.342281 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213938 ETOT(band)= -0.234286 trlgG= -0.293963 logG= -0.057801 TDE= -0.342030 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215104 ETOT(band)= -0.234223 trlgG= -0.294893 logG= -0.058526 TDE= -0.342811 logGD-logG0= -0.010287 tlogG= -0.047971 logG= -0.058258 Density= 0.215069 ETOT(band)= -0.234087 trlgG= -0.294449 logG= -0.058258 TDE= -0.342618 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010030 tlogG= -0.048022 logG= -0.058052 Density= 0.214524 ETOT(band)= -0.234205 trlgG= -0.294268 logG= -0.058052 TDE= -0.342373 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009085 tlogG= -0.047625 logG= -0.056710 logGD-logG0= -0.010497 tlogG= -0.047936 logG= -0.058433 Density= 0.212906 ETOT(band)= -0.234161 trlgG= -0.293023 logG= -0.056710 TDE= -0.341669 Density= 0.215897 ETOT(band)= -0.233790 trlgG= -0.294794 logG= -0.058433 TDE= -0.343198 logGD-logG0= -0.010586 tlogG= -0.046868 logG= -0.057454 logGD-logG0= -0.010572 tlogG= -0.047522 logG= -0.058094 Density= 0.215699 ETOT(band)= -0.233675 trlgG= -0.294232 logG= -0.058094 TDE= -0.342876 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215426 ETOT(band)= -0.233440 trlgG= -0.293192 logG= -0.057454 TDE= -0.342342 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023496 logG= -0.028219 logGD-logG0= -0.010145 tlogG= -0.046402 logG= -0.056548 Density= 0.215208 ETOT(band)= -0.233051 trlgG= -0.291750 logG= -0.056548 TDE= -0.341698 logGD-logG0= -0.010543 tlogG= -0.047411 logG= -0.057954 logGD-logG0= -0.010552 tlogG= -0.047884 logG= -0.058436 Density= 0.215768 ETOT(band)= -0.233864 trlgG= -0.294797 logG= -0.058436 TDE= -0.343133 logGD-logG0= -0.010634 tlogG= -0.048136 logG= -0.058770 Density= 0.215465 ETOT(band)= -0.233717 trlgG= -0.293994 logG= -0.057954 TDE= -0.342662 Density= 0.215422 ETOT(band)= -0.234247 trlgG= -0.295329 logG= -0.058770 TDE= -0.343161 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047299 logG= -0.057676 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047217 logG= -0.056971 Density= 0.214467 ETOT(band)= -0.233644 trlgG= -0.292847 logG= -0.056971 TDE= -0.342005 Density= 0.214252 ETOT(band)= -0.234077 trlgG= -0.293439 logG= -0.057676 TDE= -0.341785 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004336 tlogG= -0.023972 logG= -0.028308 Density= 0.106158 ETOT(band)= -0.117182 trlgG= -0.146740 logG= -0.028308 TDE= -0.170964 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106764 ETOT(band)= -0.116870 trlgG= -0.146013 logG= -0.028219 TDE= -0.170627 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047143 logG= -0.057200 Density= 0.215145 ETOT(band)= -0.233453 trlgG= -0.292768 logG= -0.057200 TDE= -0.342033 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002455 tlogG= -0.010838 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057616 trlgG= -0.071568 logG= -0.013294 TDE= -0.085026 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021557 logG= -0.026447 Density= 0.108512 ETOT(band)= -0.114928 trlgG= -0.142877 logG= -0.026447 TDE= -0.170127 logGD-logG0= -0.004976 tlogG= -0.021868 logG= -0.026844 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108321 ETOT(band)= -0.115296 trlgG= -0.143558 logG= -0.026844 TDE= -0.170317 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.020981 logG= -0.025790 Density= 0.108709 ETOT(band)= -0.114339 trlgG= -0.141718 logG= -0.025790 TDE= -0.169723 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004982 tlogG= -0.024089 logG= -0.029071 Density= 0.107376 ETOT(band)= -0.117088 trlgG= -0.147195 logG= -0.029071 TDE= -0.171259 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.021813 logG= -0.026868 Density= 0.107783 ETOT(band)= -0.115588 trlgG= -0.143623 logG= -0.026868 TDE= -0.170092 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021690 logG= -0.026685 Density= 0.107926 ETOT(band)= -0.115395 trlgG= -0.143312 logG= -0.026685 TDE= -0.170035 logGD-logG0= -0.009985 tlogG= -0.043379 logG= -0.053364 Density= 0.216270 ETOT(band)= -0.230576 trlgG= -0.286598 logG= -0.053364 TDE= -0.340256 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004851 tlogG= -0.022845 logG= -0.027696 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107743 ETOT(band)= -0.116145 trlgG= -0.144984 logG= -0.027696 TDE= -0.170604 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 Density= 0.080834 ETOT(band)= -0.087009 trlgG= -0.108655 logG= -0.006851 TDE= -0.042685 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023969 logG= -0.028530 Density= 0.212790 ETOT(band)= -0.234397 trlgG= -0.293626 logG= -0.028530 TDE= -0.170893 logGD-logG0= -0.005061 tlogG= -0.023954 logG= -0.029014 Density= 0.214331 ETOT(band)= -0.234210 trlgG= -0.294046 logG= -0.029014 TDE= -0.171126 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022433 logG= -0.027535 Density= 0.216365 ETOT(band)= -0.231391 trlgG= -0.288722 logG= -0.027535 TDE= -0.170627 logGD-logG0= -0.004902 tlogG= -0.023877 logG= -0.028779 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213775 ETOT(band)= -0.234128 trlgG= -0.293141 logG= -0.028779 TDE= -0.170856 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023241 logG= -0.028006 Density= 0.213482 ETOT(band)= -0.233736 trlgG= -0.292362 logG= -0.028006 TDE= -0.170807 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023348 logG= -0.028769 Density= 0.215101 ETOT(band)= -0.233465 trlgG= -0.292844 logG= -0.028769 TDE= -0.171026 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.023367 logG= -0.028001 Density= 0.214170 ETOT(band)= -0.233491 trlgG= -0.292470 logG= -0.028001 TDE= -0.170970 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007123 Density= 0.080646 ETOT(band)= -0.087654 trlgG= -0.110214 logG= -0.007123 TDE= -0.042827 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.080633 ETOT(band)= -0.087439 trlgG= -0.109659 logG= -0.007000 TDE= -0.042762 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080831 ETOT(band)= -0.087688 trlgG= -0.110411 logG= -0.007211 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005983 logG= -0.007254 Density= 0.081061 ETOT(band)= -0.087589 trlgG= -0.110462 logG= -0.007254 TDE= -0.042912 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 Density= 0.070859 ETOT(band)= -0.077992 trlgG= -0.097501 logG= -0.009392 TDE= -0.056983 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023996 logG= -0.029165 logGD-logG0= -0.005236 tlogG= -0.023476 logG= -0.028712 Density= 0.215209 ETOT(band)= -0.233438 trlgG= -0.293034 logG= -0.028712 TDE= -0.171230 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216358 ETOT(band)= -0.233442 trlgG= -0.294469 logG= -0.029165 TDE= -0.171657 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023998 logG= -0.029204 Density= 0.215685 ETOT(band)= -0.233964 trlgG= -0.294952 logG= -0.029204 TDE= -0.171640 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004283 tlogG= -0.024129 logG= -0.028412 Density= 0.212149 ETOT(band)= -0.234504 trlgG= -0.293832 logG= -0.028412 TDE= -0.171041 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023840 logG= -0.028899 Density= 0.215493 ETOT(band)= -0.233867 trlgG= -0.294402 logG= -0.028899 TDE= -0.171176 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024119 logG= -0.029418 Density= 0.215718 ETOT(band)= -0.234121 trlgG= -0.295368 logG= -0.029418 TDE= -0.171674 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024159 logG= -0.029185 Density= 0.322433 ETOT(band)= -0.351389 trlgG= -0.442214 logG= -0.029185 TDE= -0.171293 logGD-logG0= -0.005190 tlogG= -0.023411 logG= -0.028600 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062537 ETOT(band)= -0.067579 trlgG= -0.084246 logG= -0.006351 TDE= -0.042374 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216197 ETOT(band)= -0.232762 trlgG= -0.292325 logG= -0.028600 TDE= -0.171250 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004416 tlogG= -0.023737 logG= -0.028153 logGD-logG0= -0.005162 tlogG= -0.022963 logG= -0.028125 Density= 0.216222 ETOT(band)= -0.232189 trlgG= -0.290709 logG= -0.028125 TDE= -0.170962 logGD-logG0= -0.005162 tlogG= -0.023953 logG= -0.029115 logGD-logG0= -0.010368 tlogG= -0.047779 logG= -0.058147 logGD-logG0= -0.005182 tlogG= -0.023758 logG= -0.028940 Density= 0.216279 ETOT(band)= -0.233140 trlgG= -0.293532 logG= -0.028940 TDE= -0.171489 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324353 ETOT(band)= -0.350069 trlgG= -0.441203 logG= -0.058147 TDE= -0.343155 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216391 ETOT(band)= -0.233338 trlgG= -0.294236 logG= -0.029115 TDE= -0.171630 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024002 logG= -0.028757 logGD-logG0= -0.005013 tlogG= -0.023239 logG= -0.028252 Density= 0.321689 ETOT(band)= -0.350739 trlgG= -0.439811 logG= -0.028252 TDE= -0.170916 Density= 0.321552 ETOT(band)= -0.351282 trlgG= -0.441538 logG= -0.028757 TDE= -0.171288 logGD-logG0= -0.005001 tlogG= -0.024153 logG= -0.029154 Density= 0.213067 ETOT(band)= -0.233710 trlgG= -0.291904 logG= -0.028153 TDE= -0.170842 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214735 ETOT(band)= -0.234280 trlgG= -0.294659 logG= -0.029154 TDE= -0.171298 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010415 tlogG= -0.047228 logG= -0.057643 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.048032 logG= -0.058688 Density= 0.323244 ETOT(band)= -0.351149 trlgG= -0.442559 logG= -0.058688 TDE= -0.343150 Density= 0.324132 ETOT(band)= -0.349704 trlgG= -0.439856 logG= -0.057643 TDE= -0.342762 logGD-logG0= -0.010143 tlogG= -0.045618 logG= -0.055761 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324036 ETOT(band)= -0.348106 trlgG= -0.435150 logG= -0.055761 TDE= -0.341578 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023895 logG= -0.029242 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042691 trlgG= -0.052817 logG= -0.008447 TDE= -0.056482 Density= 0.215645 ETOT(band)= -0.233867 trlgG= -0.294679 logG= -0.029242 TDE= -0.171497 logGD-logG0= -0.004666 tlogG= -0.023364 logG= -0.028030 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.321619 ETOT(band)= -0.350234 trlgG= -0.438960 logG= -0.028030 TDE= -0.170962 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023955 logG= -0.029287 Density= 0.323661 ETOT(band)= -0.350818 trlgG= -0.442299 logG= -0.029287 TDE= -0.171545 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010414 tlogG= -0.046405 logG= -0.056819 Density= 0.323992 ETOT(band)= -0.349049 trlgG= -0.437771 logG= -0.056819 TDE= -0.342204 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.024004 logG= -0.028726 Density= 0.214110 ETOT(band)= -0.234203 trlgG= -0.294264 logG= -0.028726 TDE= -0.171293 logGD-logG0= -0.004950 tlogG= -0.022901 logG= -0.027851 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214784 ETOT(band)= -0.232515 trlgG= -0.289818 logG= -0.027851 TDE= -0.170493 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.024079 logG= -0.029312 logGD-logG0= -0.004817 tlogG= -0.023833 logG= -0.028651 logGD-logG0= -0.005396 tlogG= -0.023681 logG= -0.029077 Density= 0.213559 ETOT(band)= -0.234268 trlgG= -0.293879 logG= -0.028651 TDE= -0.171112 Density= 0.323058 ETOT(band)= -0.351358 trlgG= -0.442864 logG= -0.029312 TDE= -0.171487 Density= 0.215405 ETOT(band)= -0.233720 trlgG= -0.293982 logG= -0.029077 TDE= -0.171319 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023189 logG= -0.028343 Density= 0.214858 ETOT(band)= -0.233068 trlgG= -0.291350 logG= -0.028343 TDE= -0.170681 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071492 ETOT(band)= -0.077387 trlgG= -0.096199 logG= -0.009153 TDE= -0.056758 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.048141 logG= -0.058251 Density= 0.429287 ETOT(band)= -0.468495 trlgG= -0.588881 logG= -0.058251 TDE= -0.342436 logGD-logG0= -0.009414 tlogG= -0.046706 logG= -0.056120 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427860 ETOT(band)= -0.466368 trlgG= -0.582115 logG= -0.056120 TDE= -0.341344 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009606 tlogG= -0.047833 logG= -0.057439 Density= 0.428014 ETOT(band)= -0.468391 trlgG= -0.588115 logG= -0.057439 TDE= -0.342391 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021294 logG= -0.026184 Density= 0.162648 ETOT(band)= -0.173063 trlgG= -0.216002 logG= -0.026184 TDE= -0.169940 logGD-logG0= -0.009468 tlogG= -0.046600 logG= -0.056068 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428069 ETOT(band)= -0.467089 trlgG= -0.584720 logG= -0.056068 TDE= -0.341759 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047949 logG= -0.058228 Density= 0.429189 ETOT(band)= -0.468457 trlgG= -0.588529 logG= -0.058228 TDE= -0.342279 logGD-logG0= -0.010243 tlogG= -0.048213 logG= -0.058457 logGD-logG0= -0.010623 tlogG= -0.047719 logG= -0.058342 Density= 0.430744 ETOT(band)= -0.467744 trlgG= -0.588601 logG= -0.058342 TDE= -0.342796 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430028 ETOT(band)= -0.468495 trlgG= -0.589649 logG= -0.058457 TDE= -0.342655 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.047846 logG= -0.057628 Density= 0.429119 ETOT(band)= -0.468161 trlgG= -0.588079 logG= -0.057628 TDE= -0.342376 logGD-logG0= -0.009618 tlogG= -0.047641 logG= -0.057259 logGD-logG0= -0.005240 tlogG= -0.023796 logG= -0.029035 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215331 ETOT(band)= -0.233872 trlgG= -0.294297 logG= -0.029035 TDE= -0.171488 Density= 0.426641 ETOT(band)= -0.468612 trlgG= -0.587257 logG= -0.057259 TDE= -0.341923 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010721 tlogG= -0.047687 logG= -0.058408 logGD-logG0= -0.010454 tlogG= -0.048062 logG= -0.058516 Density= 0.431088 ETOT(band)= -0.467685 trlgG= -0.588958 logG= -0.058408 TDE= -0.342903 Density= 0.430134 ETOT(band)= -0.468325 trlgG= -0.589320 logG= -0.058516 TDE= -0.342780 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.047660 logG= -0.057882 Density= 0.428270 ETOT(band)= -0.468372 trlgG= -0.587445 logG= -0.057882 TDE= -0.342032 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046392 logG= -0.056290 Density= 0.429508 ETOT(band)= -0.465788 trlgG= -0.581778 logG= -0.056290 TDE= -0.341454 logGD-logG0= -0.001220 tlogG= -0.005466 logG= -0.006687 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081198 ETOT(band)= -0.086394 trlgG= -0.107413 logG= -0.006687 TDE= -0.042587 logGD-logG0= -0.009572 tlogG= -0.047761 logG= -0.057332 Density= 0.427146 ETOT(band)= -0.468159 trlgG= -0.586104 logG= -0.057332 TDE= -0.341625 logGD-logG0= -0.010645 tlogG= -0.048013 logG= -0.058658 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.081558 ETOT(band)= -0.085724 trlgG= -0.106251 logG= -0.006506 TDE= -0.042476 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431330 ETOT(band)= -0.467967 trlgG= -0.589951 logG= -0.058658 TDE= -0.343168 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.047552 logG= -0.057515 Density= 0.428586 ETOT(band)= -0.467716 trlgG= -0.586481 logG= -0.057515 TDE= -0.342076 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046921 logG= -0.057204 Density= 0.429863 ETOT(band)= -0.466699 trlgG= -0.584478 logG= -0.057204 TDE= -0.341746 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.022322 logG= -0.027099 Density= 0.215016 ETOT(band)= -0.232067 trlgG= -0.289218 logG= -0.027099 TDE= -0.170315 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010682 tlogG= -0.047258 logG= -0.057940 Density= 0.430471 ETOT(band)= -0.467321 trlgG= -0.587129 logG= -0.057940 TDE= -0.342411 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008925 tlogG= -0.048090 logG= -0.057015 Density= 0.425495 ETOT(band)= -0.468593 trlgG= -0.586741 logG= -0.057015 TDE= -0.341903 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047561 logG= -0.057768 Density= 0.429996 ETOT(band)= -0.467345 trlgG= -0.586409 logG= -0.057768 TDE= -0.342192 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022322 logG= -0.027139 Density= 0.322857 ETOT(band)= -0.348151 trlgG= -0.434203 logG= -0.027139 TDE= -0.170309 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009933 tlogG= -0.044611 logG= -0.054544 Density= 0.324277 ETOT(band)= -0.346836 trlgG= -0.432135 logG= -0.054544 TDE= -0.340899 logGD-logG0= -0.001688 tlogG= -0.007115 logG= -0.008802 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072228 ETOT(band)= -0.076515 trlgG= -0.094879 logG= -0.008802 TDE= -0.056643 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004587 tlogG= -0.023887 logG= -0.028473 Density= 0.213264 ETOT(band)= -0.233984 trlgG= -0.292630 logG= -0.028473 TDE= -0.170845 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022288 logG= -0.027218 Density= 0.214244 ETOT(band)= -0.232559 trlgG= -0.289576 logG= -0.027218 TDE= -0.170229 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004898 tlogG= -0.022470 logG= -0.027368 logGD-logG0= -0.009648 tlogG= -0.046596 logG= -0.056245 Density= 0.322692 ETOT(band)= -0.349182 trlgG= -0.436593 logG= -0.056245 TDE= -0.341732 Density= 0.215010 ETOT(band)= -0.231778 trlgG= -0.288172 logG= -0.027368 TDE= -0.170242 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004471 tlogG= -0.023584 logG= -0.028055 Density= 0.212597 ETOT(band)= -0.234120 trlgG= -0.292881 logG= -0.028055 TDE= -0.170758 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021873 logG= -0.026936 Density= 0.216622 ETOT(band)= -0.230391 trlgG= -0.286601 logG= -0.026936 TDE= -0.170286 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021344 logG= -0.026317 Density= 0.217017 ETOT(band)= -0.229281 trlgG= -0.284392 logG= -0.026317 TDE= -0.169953 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009780 tlogG= -0.044616 logG= -0.054396 Density= 0.431590 ETOT(band)= -0.462303 trlgG= -0.574981 logG= -0.054396 TDE= -0.340538 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021199 logG= -0.026130 Density= 0.216339 ETOT(band)= -0.230146 trlgG= -0.285654 logG= -0.026130 TDE= -0.169859 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.977419944262 eV TrLogG= -407.444888676041 eV Ratio to renormalize= 1.000067084593 rho-rho_expected=-0.001475762035 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964768304462160 0.940646217182104 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001401 tlogG= -0.008044 logG= -0.009445 Density= 0.035309 ETOT(band)= -0.039097 trlgG= -0.048994 logG= -0.009445 TDE= -0.057022 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004309 tlogG= -0.024049 logG= -0.028358 Density= 0.106106 ETOT(band)= -0.117227 trlgG= -0.146855 logG= -0.028358 TDE= -0.171003 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023203 logG= -0.027812 Density= 0.106726 ETOT(band)= -0.116680 trlgG= -0.145531 logG= -0.027812 TDE= -0.170533 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022403 logG= -0.027403 Density= 0.107629 ETOT(band)= -0.116017 trlgG= -0.144500 logG= -0.027403 TDE= -0.170357 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023496 logG= -0.028219 Density= 0.106765 ETOT(band)= -0.116871 trlgG= -0.146014 logG= -0.028219 TDE= -0.170628 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 Density= 0.035841 ETOT(band)= -0.038594 trlgG= -0.047929 logG= -0.008988 TDE= -0.056677 logGD-logG0= -0.002396 tlogG= -0.010422 logG= -0.012818 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054378 ETOT(band)= -0.057096 trlgG= -0.070719 logG= -0.012818 TDE= -0.084811 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.021813 logG= -0.026868 Density= 0.107783 ETOT(band)= -0.115588 trlgG= -0.143624 logG= -0.026868 TDE= -0.170092 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014627 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002414 tlogG= -0.012080 logG= -0.014495 Density= 0.053761 ETOT(band)= -0.058561 trlgG= -0.073715 logG= -0.014627 TDE= -0.085692 Density= 0.053582 ETOT(band)= -0.058573 trlgG= -0.073658 logG= -0.014495 TDE= -0.085678 logGD-logG0= -0.002319 tlogG= -0.011882 logG= -0.014201 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 Density= 0.035489 ETOT(band)= -0.038945 trlgG= -0.048629 logG= -0.009292 TDE= -0.056898 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053558 ETOT(band)= -0.058429 trlgG= -0.073296 logG= -0.014201 TDE= -0.085598 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011446 logG= -0.013772 Density= 0.053734 ETOT(band)= -0.058098 trlgG= -0.072530 logG= -0.013772 TDE= -0.085349 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022451 logG= -0.027475 Density= 0.108201 ETOT(band)= -0.115787 trlgG= -0.144618 logG= -0.027475 TDE= -0.170686 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023946 logG= -0.029070 Density= 0.108230 ETOT(band)= -0.116665 trlgG= -0.147155 logG= -0.029070 TDE= -0.171642 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054138 ETOT(band)= -0.058320 trlgG= -0.073575 logG= -0.014534 TDE= -0.085831 logGD-logG0= -0.005268 tlogG= -0.024066 logG= -0.029335 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 Density= 0.053983 ETOT(band)= -0.058442 trlgG= -0.073697 logG= -0.014607 TDE= -0.085803 logGD-logG0= -0.005137 tlogG= -0.023760 logG= -0.028896 Density= 0.107641 ETOT(band)= -0.117122 trlgG= -0.147575 logG= -0.029335 TDE= -0.171506 logGD-logG0= -0.005132 tlogG= -0.023426 logG= -0.028558 Density= 0.108130 ETOT(band)= -0.116429 trlgG= -0.146341 logG= -0.028558 TDE= -0.171291 logGD-logG0= -0.004336 tlogG= -0.023972 logG= -0.028308 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106158 ETOT(band)= -0.117183 trlgG= -0.146741 logG= -0.028308 TDE= -0.170965 Density= 0.108178 ETOT(band)= -0.116591 trlgG= -0.146876 logG= -0.028896 TDE= -0.171512 logGD-logG0= -0.005091 tlogG= -0.022977 logG= -0.028068 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022163 logG= -0.027104 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108133 ETOT(band)= -0.116160 trlgG= -0.145566 logG= -0.028068 TDE= -0.171007 Density= 0.108357 ETOT(band)= -0.115480 trlgG= -0.144008 logG= -0.027104 TDE= -0.170525 logGD-logG0= -0.004818 tlogG= -0.023684 logG= -0.028502 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107374 ETOT(band)= -0.116778 trlgG= -0.146454 logG= -0.028502 TDE= -0.171086 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.023868 logG= -0.028978 logGD-logG0= -0.004534 tlogG= -0.024042 logG= -0.028576 Density= 0.108250 ETOT(band)= -0.116601 trlgG= -0.147005 logG= -0.028978 TDE= -0.171595 Density= 0.106379 ETOT(band)= -0.117214 trlgG= -0.146861 logG= -0.028576 TDE= -0.170926 logGD-logG0= -0.004851 tlogG= -0.022845 logG= -0.027696 logGD-logG0= -0.005275 tlogG= -0.024085 logG= -0.029359 logGD-logG0= -0.005301 tlogG= -0.023897 logG= -0.029198 Density= 0.107750 ETOT(band)= -0.116987 trlgG= -0.147359 logG= -0.029198 TDE= -0.171481 Density= 0.107743 ETOT(band)= -0.116145 trlgG= -0.144984 logG= -0.027696 TDE= -0.170605 Density= 0.107887 ETOT(band)= -0.117028 trlgG= -0.147637 logG= -0.029359 TDE= -0.171666 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023601 logG= -0.028715 Density= 0.108204 ETOT(band)= -0.116475 trlgG= -0.146585 logG= -0.028715 TDE= -0.171415 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023665 logG= -0.028333 Density= 0.106589 ETOT(band)= -0.117018 trlgG= -0.146446 logG= -0.028333 TDE= -0.170858 logGD-logG0= -0.004982 tlogG= -0.024089 logG= -0.029071 logGD-logG0= -0.005308 tlogG= -0.024131 logG= -0.029439 logGD-logG0= -0.005019 tlogG= -0.022728 logG= -0.027747 Density= 0.108247 ETOT(band)= -0.115923 trlgG= -0.145054 logG= -0.027747 TDE= -0.170872 logGD-logG0= -0.005218 tlogG= -0.023963 logG= -0.029181 Density= 0.107441 ETOT(band)= -0.117109 trlgG= -0.147302 logG= -0.029181 TDE= -0.171288 logGD-logG0= -0.004988 tlogG= -0.023638 logG= -0.028626 Density= 0.106971 ETOT(band)= -0.116988 trlgG= -0.146358 logG= -0.028626 TDE= -0.170667 logGD-logG0= -0.005084 tlogG= -0.023211 logG= -0.028294 Density= 0.108193 ETOT(band)= -0.116252 trlgG= -0.145921 logG= -0.028294 TDE= -0.171166 Density= 0.107376 ETOT(band)= -0.117088 trlgG= -0.147196 logG= -0.029071 TDE= -0.171260 Density= 0.107810 ETOT(band)= -0.117117 trlgG= -0.147763 logG= -0.029439 TDE= -0.171674 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.022986 logG= -0.027682 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106863 ETOT(band)= -0.116548 trlgG= -0.145268 logG= -0.027682 TDE= -0.170467 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023680 logG= -0.028955 Density= 0.107227 ETOT(band)= -0.117057 trlgG= -0.146908 logG= -0.028955 TDE= -0.171014 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.022870 logG= -0.027969 Density= 0.107611 ETOT(band)= -0.116350 trlgG= -0.145397 logG= -0.027969 TDE= -0.170679 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024066 logG= -0.028935 Density= 0.107051 ETOT(band)= -0.117151 trlgG= -0.147225 logG= -0.028935 TDE= -0.171264 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023683 logG= -0.028380 Density= 0.106969 ETOT(band)= -0.116899 trlgG= -0.146548 logG= -0.028380 TDE= -0.171102 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004894 tlogG= -0.023888 logG= -0.028782 logGD-logG0= -0.005292 tlogG= -0.023190 logG= -0.028482 Density= 0.107680 ETOT(band)= -0.116598 trlgG= -0.146207 logG= -0.028482 TDE= -0.171011 Density= 0.106749 ETOT(band)= -0.117172 trlgG= -0.146972 logG= -0.028782 TDE= -0.171015 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022848 logG= -0.027576 Density= 0.107290 ETOT(band)= -0.116293 trlgG= -0.145114 logG= -0.027576 TDE= -0.170630 logGD-logG0= -0.005261 tlogG= -0.023867 logG= -0.029128 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107915 ETOT(band)= -0.116854 trlgG= -0.147251 logG= -0.029128 TDE= -0.171524 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009760 tlogG= -0.048238 logG= -0.057998 logGD-logG0= -0.005299 tlogG= -0.023576 logG= -0.028875 Density= 0.214393 ETOT(band)= -0.234260 trlgG= -0.294522 logG= -0.057998 TDE= -0.342616 Density= 0.107798 ETOT(band)= -0.116758 trlgG= -0.146836 logG= -0.028875 TDE= -0.171305 logGD-logG0= -0.009445 tlogG= -0.045752 logG= -0.055198 Density= 0.215007 ETOT(band)= -0.232416 trlgG= -0.290126 logG= -0.055198 TDE= -0.341324 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.024056 logG= -0.029305 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107947 ETOT(band)= -0.116960 trlgG= -0.147548 logG= -0.029305 TDE= -0.171660 logGD-logG0= -0.009085 tlogG= -0.047625 logG= -0.056711 Density= 0.212906 ETOT(band)= -0.234162 trlgG= -0.293024 logG= -0.056711 TDE= -0.341670 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009626 tlogG= -0.047153 logG= -0.056780 logGD-logG0= -0.009906 tlogG= -0.047895 logG= -0.057801 Density= 0.213958 ETOT(band)= -0.234300 trlgG= -0.294213 logG= -0.057801 TDE= -0.342289 logGD-logG0= -0.010483 tlogG= -0.047740 logG= -0.058222 logGD-logG0= -0.009725 tlogG= -0.045583 logG= -0.055308 Density= 0.214751 ETOT(band)= -0.234181 trlgG= -0.294358 logG= -0.058222 TDE= -0.342405 Density= 0.214348 ETOT(band)= -0.232770 trlgG= -0.290308 logG= -0.055308 TDE= -0.341070 Density= 0.213752 ETOT(band)= -0.233857 trlgG= -0.292950 logG= -0.056780 TDE= -0.341945 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009399 tlogG= -0.047441 logG= -0.056840 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214300 ETOT(band)= -0.233685 trlgG= -0.293077 logG= -0.056840 TDE= -0.342284 logGD-logG0= -0.009517 tlogG= -0.047923 logG= -0.057440 Density= 0.213257 ETOT(band)= -0.234368 trlgG= -0.293669 logG= -0.057440 TDE= -0.341759 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010287 tlogG= -0.047971 logG= -0.058258 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215069 ETOT(band)= -0.234088 trlgG= -0.294451 logG= -0.058258 TDE= -0.342619 logGD-logG0= -0.009790 tlogG= -0.047146 logG= -0.056936 Density= 0.213764 ETOT(band)= -0.233901 trlgG= -0.292741 logG= -0.056936 TDE= -0.341586 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.048074 logG= -0.058512 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215067 ETOT(band)= -0.234233 trlgG= -0.294867 logG= -0.058512 TDE= -0.342781 logGD-logG0= -0.010348 tlogG= -0.047779 logG= -0.058127 Density= 0.214649 ETOT(band)= -0.234175 trlgG= -0.294189 logG= -0.058127 TDE= -0.342282 logGD-logG0= -0.001619 tlogG= -0.006989 logG= -0.008609 Density= 0.036195 ETOT(band)= -0.038143 trlgG= -0.047265 logG= -0.008609 TDE= -0.056568 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009831 tlogG= -0.045641 logG= -0.055471 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215140 ETOT(band)= -0.232491 trlgG= -0.290116 logG= -0.055471 TDE= -0.341107 logGD-logG0= -0.010586 tlogG= -0.046868 logG= -0.057454 logGD-logG0= -0.010572 tlogG= -0.047523 logG= -0.058095 Density= 0.215699 ETOT(band)= -0.233676 trlgG= -0.294234 logG= -0.058095 TDE= -0.342878 Density= 0.215426 ETOT(band)= -0.233441 trlgG= -0.293194 logG= -0.057454 TDE= -0.342343 logGD-logG0= -0.010497 tlogG= -0.047936 logG= -0.058433 Density= 0.215897 ETOT(band)= -0.233791 trlgG= -0.294795 logG= -0.058433 TDE= -0.343199 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010520 tlogG= -0.048007 logG= -0.058527 Density= 0.215104 ETOT(band)= -0.234224 trlgG= -0.294894 logG= -0.058527 TDE= -0.342812 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010149 tlogG= -0.047653 logG= -0.057801 logGD-logG0= -0.010030 tlogG= -0.048022 logG= -0.058052 Density= 0.214524 ETOT(band)= -0.234206 trlgG= -0.294269 logG= -0.058052 TDE= -0.342374 logGD-logG0= -0.004416 tlogG= -0.023737 logG= -0.028154 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010145 tlogG= -0.046403 logG= -0.056548 Density= 0.213938 ETOT(band)= -0.234287 trlgG= -0.293965 logG= -0.057801 TDE= -0.342031 Density= 0.213067 ETOT(band)= -0.233711 trlgG= -0.291905 logG= -0.028154 TDE= -0.170843 Density= 0.215208 ETOT(band)= -0.233052 trlgG= -0.291751 logG= -0.056548 TDE= -0.341699 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062537 ETOT(band)= -0.067579 trlgG= -0.084246 logG= -0.006351 TDE= -0.042374 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010377 tlogG= -0.047299 logG= -0.057676 Density= 0.214252 ETOT(band)= -0.234078 trlgG= -0.293440 logG= -0.057676 TDE= -0.341786 logGD-logG0= -0.010633 tlogG= -0.048137 logG= -0.058770 Density= 0.215422 ETOT(band)= -0.234248 trlgG= -0.295330 logG= -0.058770 TDE= -0.343162 logGD-logG0= -0.010543 tlogG= -0.047411 logG= -0.057954 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215465 ETOT(band)= -0.233718 trlgG= -0.293995 logG= -0.057954 TDE= -0.342664 logGD-logG0= -0.002455 tlogG= -0.010839 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057616 trlgG= -0.071569 logG= -0.013294 TDE= -0.085027 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.047885 logG= -0.058437 Density= 0.215768 ETOT(band)= -0.233864 trlgG= -0.294798 logG= -0.058437 TDE= -0.343135 logGD-logG0= -0.009754 tlogG= -0.047217 logG= -0.056972 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214467 ETOT(band)= -0.233645 trlgG= -0.292849 logG= -0.056972 TDE= -0.342006 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.022901 logG= -0.027852 Density= 0.214785 ETOT(band)= -0.232516 trlgG= -0.289819 logG= -0.027852 TDE= -0.170493 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047143 logG= -0.057200 Density= 0.215145 ETOT(band)= -0.233454 trlgG= -0.292769 logG= -0.057200 TDE= -0.342034 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071492 ETOT(band)= -0.077387 trlgG= -0.096199 logG= -0.009153 TDE= -0.056759 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004283 tlogG= -0.024129 logG= -0.028413 Density= 0.212149 ETOT(band)= -0.234505 trlgG= -0.293833 logG= -0.028413 TDE= -0.171041 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021557 logG= -0.026447 logGD-logG0= -0.004587 tlogG= -0.023887 logG= -0.028473 Density= 0.108512 ETOT(band)= -0.114928 trlgG= -0.142877 logG= -0.026447 TDE= -0.170128 Density= 0.213264 ETOT(band)= -0.233985 trlgG= -0.292632 logG= -0.028473 TDE= -0.170845 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.020981 logG= -0.025790 Density= 0.108709 ETOT(band)= -0.114340 trlgG= -0.141719 logG= -0.025790 TDE= -0.169724 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.081558 ETOT(band)= -0.085725 trlgG= -0.106251 logG= -0.006506 TDE= -0.042476 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021868 logG= -0.026844 Density= 0.108321 ETOT(band)= -0.115296 trlgG= -0.143559 logG= -0.026844 TDE= -0.170317 logGD-logG0= -0.004898 tlogG= -0.022470 logG= -0.027368 Density= 0.215010 ETOT(band)= -0.231779 trlgG= -0.288173 logG= -0.027368 TDE= -0.170243 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021690 logG= -0.026685 Density= 0.107927 ETOT(band)= -0.115395 trlgG= -0.143313 logG= -0.026685 TDE= -0.170036 logGD-logG0= -0.009985 tlogG= -0.043379 logG= -0.053364 Density= 0.216270 ETOT(band)= -0.230577 trlgG= -0.286599 logG= -0.053364 TDE= -0.340257 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.080633 ETOT(band)= -0.087440 trlgG= -0.109660 logG= -0.007000 TDE= -0.042762 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080834 ETOT(band)= -0.087010 trlgG= -0.108655 logG= -0.006851 TDE= -0.042685 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080831 ETOT(band)= -0.087688 trlgG= -0.110412 logG= -0.007211 TDE= -0.042882 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007123 Density= 0.080646 ETOT(band)= -0.087654 trlgG= -0.110215 logG= -0.007123 TDE= -0.042827 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022433 logG= -0.027535 Density= 0.216365 ETOT(band)= -0.231392 trlgG= -0.288723 logG= -0.027535 TDE= -0.170627 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.022963 logG= -0.028126 logGD-logG0= -0.001271 tlogG= -0.005983 logG= -0.007254 Density= 0.216222 ETOT(band)= -0.232189 trlgG= -0.290710 logG= -0.028126 TDE= -0.170963 Density= 0.081061 ETOT(band)= -0.087590 trlgG= -0.110463 logG= -0.007254 TDE= -0.042912 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023998 logG= -0.029204 Density= 0.215686 ETOT(band)= -0.233965 trlgG= -0.294953 logG= -0.029204 TDE= -0.171641 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.024004 logG= -0.028726 Density= 0.214110 ETOT(band)= -0.234204 trlgG= -0.294266 logG= -0.028726 TDE= -0.171293 logGD-logG0= -0.004902 tlogG= -0.023878 logG= -0.028779 Density= 0.213775 ETOT(band)= -0.234129 trlgG= -0.293143 logG= -0.028779 TDE= -0.170856 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 Density= 0.070859 ETOT(band)= -0.077992 trlgG= -0.097501 logG= -0.009392 TDE= -0.056983 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023834 logG= -0.028651 Density= 0.213559 ETOT(band)= -0.234269 trlgG= -0.293880 logG= -0.028651 TDE= -0.171112 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023349 logG= -0.028769 Density= 0.215101 ETOT(band)= -0.233465 trlgG= -0.292845 logG= -0.028769 TDE= -0.171026 logGD-logG0= -0.004634 tlogG= -0.023367 logG= -0.028001 Density= 0.214171 ETOT(band)= -0.233491 trlgG= -0.292472 logG= -0.028001 TDE= -0.170971 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023411 logG= -0.028600 logGD-logG0= -0.005061 tlogG= -0.023954 logG= -0.029014 Density= 0.214331 ETOT(band)= -0.234211 trlgG= -0.294048 logG= -0.029014 TDE= -0.171126 Density= 0.216197 ETOT(band)= -0.232763 trlgG= -0.292327 logG= -0.028600 TDE= -0.171251 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023476 logG= -0.028713 Density= 0.215209 ETOT(band)= -0.233439 trlgG= -0.293035 logG= -0.028713 TDE= -0.171231 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023241 logG= -0.028006 Density= 0.213482 ETOT(band)= -0.233737 trlgG= -0.292363 logG= -0.028006 TDE= -0.170808 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023796 logG= -0.029036 Density= 0.215331 ETOT(band)= -0.233873 trlgG= -0.294298 logG= -0.029036 TDE= -0.171488 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023996 logG= -0.029165 Density= 0.216358 ETOT(band)= -0.233443 trlgG= -0.294471 logG= -0.029165 TDE= -0.171658 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023969 logG= -0.028531 logGD-logG0= -0.005154 tlogG= -0.023189 logG= -0.028343 Density= 0.214858 ETOT(band)= -0.233068 trlgG= -0.291351 logG= -0.028343 TDE= -0.170682 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212790 ETOT(band)= -0.234397 trlgG= -0.293628 logG= -0.028531 TDE= -0.170894 logGD-logG0= -0.004755 tlogG= -0.024003 logG= -0.028758 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321553 ETOT(band)= -0.351283 trlgG= -0.441540 logG= -0.028758 TDE= -0.171288 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023840 logG= -0.028899 Density= 0.215494 ETOT(band)= -0.233868 trlgG= -0.294404 logG= -0.028899 TDE= -0.171177 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010143 tlogG= -0.045618 logG= -0.055761 Density= 0.324037 ETOT(band)= -0.348108 trlgG= -0.435152 logG= -0.055761 TDE= -0.341579 logGD-logG0= -0.005299 tlogG= -0.024120 logG= -0.029419 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215719 ETOT(band)= -0.234121 trlgG= -0.295369 logG= -0.029419 TDE= -0.171674 logGD-logG0= -0.005162 tlogG= -0.023953 logG= -0.029115 logGD-logG0= -0.004471 tlogG= -0.023584 logG= -0.028055 Density= 0.216392 ETOT(band)= -0.233339 trlgG= -0.294238 logG= -0.029115 TDE= -0.171631 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212598 ETOT(band)= -0.234121 trlgG= -0.292883 logG= -0.028055 TDE= -0.170758 logGD-logG0= -0.010368 tlogG= -0.047780 logG= -0.058147 logGD-logG0= -0.005027 tlogG= -0.024159 logG= -0.029186 Density= 0.322434 ETOT(band)= -0.351390 trlgG= -0.442216 logG= -0.029186 TDE= -0.171294 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324353 ETOT(band)= -0.350071 trlgG= -0.441205 logG= -0.058147 TDE= -0.343156 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024154 logG= -0.029154 Density= 0.214735 ETOT(band)= -0.234281 trlgG= -0.294661 logG= -0.029154 TDE= -0.171299 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.048033 logG= -0.058689 Density= 0.323245 ETOT(band)= -0.351150 trlgG= -0.442561 logG= -0.058689 TDE= -0.343151 logGD-logG0= -0.005182 tlogG= -0.023758 logG= -0.028941 Density= 0.216280 ETOT(band)= -0.233141 trlgG= -0.293534 logG= -0.028941 TDE= -0.171490 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010415 tlogG= -0.047228 logG= -0.057643 Density= 0.324132 ETOT(band)= -0.349705 trlgG= -0.439858 logG= -0.057643 TDE= -0.342763 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.024079 logG= -0.029312 Density= 0.323059 ETOT(band)= -0.351359 trlgG= -0.442866 logG= -0.029312 TDE= -0.171488 logGD-logG0= -0.005347 tlogG= -0.023896 logG= -0.029243 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215645 ETOT(band)= -0.233867 trlgG= -0.294681 logG= -0.029243 TDE= -0.171498 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042692 trlgG= -0.052817 logG= -0.008447 TDE= -0.056482 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010414 tlogG= -0.046406 logG= -0.056820 Density= 0.323993 ETOT(band)= -0.349050 trlgG= -0.437773 logG= -0.056820 TDE= -0.342205 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023239 logG= -0.028252 Density= 0.321689 ETOT(band)= -0.350740 trlgG= -0.439813 logG= -0.028252 TDE= -0.170917 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023955 logG= -0.029287 Density= 0.323661 ETOT(band)= -0.350820 trlgG= -0.442301 logG= -0.029287 TDE= -0.171546 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004666 tlogG= -0.023364 logG= -0.028030 Density= 0.321619 ETOT(band)= -0.350236 trlgG= -0.438962 logG= -0.028030 TDE= -0.170963 logGD-logG0= -0.009648 tlogG= -0.046597 logG= -0.056245 Density= 0.322692 ETOT(band)= -0.349184 trlgG= -0.436595 logG= -0.056245 TDE= -0.341733 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023681 logG= -0.029077 logGD-logG0= -0.008925 tlogG= -0.048090 logG= -0.057015 Density= 0.215405 ETOT(band)= -0.233721 trlgG= -0.293984 logG= -0.029077 TDE= -0.171320 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425495 ETOT(band)= -0.468595 trlgG= -0.586744 logG= -0.057015 TDE= -0.341904 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009606 tlogG= -0.047833 logG= -0.057439 Density= 0.428015 ETOT(band)= -0.468393 trlgG= -0.588117 logG= -0.057439 TDE= -0.342392 logGD-logG0= -0.010109 tlogG= -0.048142 logG= -0.058251 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429287 ETOT(band)= -0.468497 trlgG= -0.588883 logG= -0.058251 TDE= -0.342438 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009414 tlogG= -0.046706 logG= -0.056120 Density= 0.427860 ETOT(band)= -0.466370 trlgG= -0.582117 logG= -0.056120 TDE= -0.341345 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.022322 logG= -0.027099 Density= 0.215017 ETOT(band)= -0.232068 trlgG= -0.289220 logG= -0.027099 TDE= -0.170316 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010454 tlogG= -0.048062 logG= -0.058516 Density= 0.430135 ETOT(band)= -0.468326 trlgG= -0.589323 logG= -0.058516 TDE= -0.342781 logGD-logG0= -0.001220 tlogG= -0.005466 logG= -0.006687 Density= 0.081198 ETOT(band)= -0.086395 trlgG= -0.107414 logG= -0.006687 TDE= -0.042587 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010279 tlogG= -0.047949 logG= -0.058228 Density= 0.429190 ETOT(band)= -0.468459 trlgG= -0.588532 logG= -0.058228 TDE= -0.342280 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010721 tlogG= -0.047688 logG= -0.058408 Density= 0.431089 ETOT(band)= -0.467686 trlgG= -0.588960 logG= -0.058408 TDE= -0.342904 logGD-logG0= -0.010221 tlogG= -0.047661 logG= -0.057882 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428271 ETOT(band)= -0.468374 trlgG= -0.587448 logG= -0.057882 TDE= -0.342033 logGD-logG0= -0.004891 tlogG= -0.021294 logG= -0.026184 Density= 0.162648 ETOT(band)= -0.173064 trlgG= -0.216003 logG= -0.026184 TDE= -0.169940 logGD-logG0= -0.010243 tlogG= -0.048214 logG= -0.058457 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430028 ETOT(band)= -0.468497 trlgG= -0.589652 logG= -0.058457 TDE= -0.342656 logGD-logG0= -0.009618 tlogG= -0.047642 logG= -0.057260 Density= 0.426641 ETOT(band)= -0.468614 trlgG= -0.587260 logG= -0.057260 TDE= -0.341924 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009468 tlogG= -0.046600 logG= -0.056068 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428070 ETOT(band)= -0.467090 trlgG= -0.584723 logG= -0.056068 TDE= -0.341760 logGD-logG0= -0.010623 tlogG= -0.047719 logG= -0.058342 Density= 0.430745 ETOT(band)= -0.467745 trlgG= -0.588603 logG= -0.058342 TDE= -0.342797 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046922 logG= -0.057204 Density= 0.429864 ETOT(band)= -0.466701 trlgG= -0.584480 logG= -0.057204 TDE= -0.341747 logGD-logG0= -0.009572 tlogG= -0.047761 logG= -0.057333 Density= 0.427147 ETOT(band)= -0.468161 trlgG= -0.586107 logG= -0.057333 TDE= -0.341626 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046392 logG= -0.056290 logGD-logG0= -0.004817 tlogG= -0.022323 logG= -0.027139 Density= 0.429509 ETOT(band)= -0.465789 trlgG= -0.581780 logG= -0.056290 TDE= -0.341455 logGD-logG0= -0.009782 tlogG= -0.047846 logG= -0.057628 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429120 ETOT(band)= -0.468162 trlgG= -0.588081 logG= -0.057628 TDE= -0.342377 Density= 0.322857 ETOT(band)= -0.348152 trlgG= -0.434205 logG= -0.027139 TDE= -0.170310 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010644 tlogG= -0.048013 logG= -0.058658 Density= 0.431331 ETOT(band)= -0.467968 trlgG= -0.589954 logG= -0.058658 TDE= -0.343169 logGD-logG0= -0.009963 tlogG= -0.047553 logG= -0.057515 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047258 logG= -0.057941 Density= 0.428586 ETOT(band)= -0.467717 trlgG= -0.586483 logG= -0.057515 TDE= -0.342077 Density= 0.430472 ETOT(band)= -0.467322 trlgG= -0.587131 logG= -0.057941 TDE= -0.342413 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047561 logG= -0.057768 Density= 0.429997 ETOT(band)= -0.467347 trlgG= -0.586412 logG= -0.057768 TDE= -0.342193 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007115 logG= -0.008802 Density= 0.072228 ETOT(band)= -0.076515 trlgG= -0.094880 logG= -0.008802 TDE= -0.056643 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022288 logG= -0.027218 Density= 0.214245 ETOT(band)= -0.232560 trlgG= -0.289577 logG= -0.027218 TDE= -0.170229 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009933 tlogG= -0.044611 logG= -0.054544 Density= 0.324278 ETOT(band)= -0.346837 trlgG= -0.432137 logG= -0.054544 TDE= -0.340900 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021873 logG= -0.026936 Density= 0.216623 ETOT(band)= -0.230392 trlgG= -0.286602 logG= -0.026936 TDE= -0.170286 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021344 logG= -0.026317 Density= 0.217017 ETOT(band)= -0.229282 trlgG= -0.284394 logG= -0.026317 TDE= -0.169954 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021199 logG= -0.026131 Density= 0.216339 ETOT(band)= -0.230147 trlgG= -0.285656 logG= -0.026131 TDE= -0.169860 logGD-logG0= -0.009780 tlogG= -0.044616 logG= -0.054396 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431590 ETOT(band)= -0.462305 trlgG= -0.574984 logG= -0.054396 TDE= -0.340539 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.978629647164 eV TrLogG= -407.446887853018 eV Ratio to renormalize= 1.000065698189 rho-rho_expected=-0.001445265198 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964772298580431 0.940648431065858 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002319 tlogG= -0.011882 logG= -0.014201 Density= 0.053558 ETOT(band)= -0.058429 trlgG= -0.073295 logG= -0.014201 TDE= -0.085597 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024042 logG= -0.028576 Density= 0.106378 ETOT(band)= -0.117212 trlgG= -0.146859 logG= -0.028576 TDE= -0.170925 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022162 logG= -0.027104 Density= 0.108356 ETOT(band)= -0.115479 trlgG= -0.144007 logG= -0.027104 TDE= -0.170523 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023210 logG= -0.028294 Density= 0.108193 ETOT(band)= -0.116251 trlgG= -0.145920 logG= -0.028294 TDE= -0.171165 logGD-logG0= -0.005275 tlogG= -0.023679 logG= -0.028955 Density= 0.107226 ETOT(band)= -0.117056 trlgG= -0.146906 logG= -0.028955 TDE= -0.171012 logGD-logG0= -0.004988 tlogG= -0.023637 logG= -0.028625 logGD-logG0= -0.005019 tlogG= -0.022727 logG= -0.027747 Density= 0.108246 ETOT(band)= -0.115922 trlgG= -0.145052 logG= -0.027747 TDE= -0.170871 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106971 ETOT(band)= -0.116986 trlgG= -0.146357 logG= -0.028625 TDE= -0.170666 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010838 logG= -0.013294 Density= 0.054061 ETOT(band)= -0.057615 trlgG= -0.071568 logG= -0.013294 TDE= -0.085026 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004310 tlogG= -0.024048 logG= -0.028358 Density= 0.106106 ETOT(band)= -0.117226 trlgG= -0.146853 logG= -0.028358 TDE= -0.171001 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008044 logG= -0.009444 Density= 0.035309 ETOT(band)= -0.039097 trlgG= -0.048994 logG= -0.009444 TDE= -0.057022 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023202 logG= -0.027811 Density= 0.106726 ETOT(band)= -0.116679 trlgG= -0.145530 logG= -0.027811 TDE= -0.170532 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014627 Density= 0.053761 ETOT(band)= -0.058560 trlgG= -0.073714 logG= -0.014627 TDE= -0.085691 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.022986 logG= -0.027682 Density= 0.106863 ETOT(band)= -0.116547 trlgG= -0.145266 logG= -0.027682 TDE= -0.170465 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002414 tlogG= -0.012080 logG= -0.014494 Density= 0.053582 ETOT(band)= -0.058572 trlgG= -0.073657 logG= -0.014494 TDE= -0.085677 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 Density= 0.035488 ETOT(band)= -0.038945 trlgG= -0.048628 logG= -0.009292 TDE= -0.056898 logGD-logG0= -0.001620 tlogG= -0.006989 logG= -0.008608 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036195 ETOT(band)= -0.038143 trlgG= -0.047265 logG= -0.008608 TDE= -0.056568 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002326 tlogG= -0.011446 logG= -0.013771 Density= 0.053733 ETOT(band)= -0.058097 trlgG= -0.072529 logG= -0.013771 TDE= -0.085348 logGD-logG0= -0.005111 tlogG= -0.023867 logG= -0.028978 Density= 0.108250 ETOT(band)= -0.116600 trlgG= -0.147004 logG= -0.028978 TDE= -0.171593 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004336 tlogG= -0.023971 logG= -0.028308 Density= 0.106158 ETOT(band)= -0.117182 trlgG= -0.146739 logG= -0.028308 TDE= -0.170964 logGD-logG0= -0.005261 tlogG= -0.023866 logG= -0.029127 Density= 0.107915 ETOT(band)= -0.116853 trlgG= -0.147249 logG= -0.029127 TDE= -0.171523 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023576 logG= -0.028875 Density= 0.107798 ETOT(band)= -0.116757 trlgG= -0.146834 logG= -0.028875 TDE= -0.171304 logGD-logG0= -0.005137 tlogG= -0.023759 logG= -0.028896 Density= 0.108178 ETOT(band)= -0.116590 trlgG= -0.146875 logG= -0.028896 TDE= -0.171510 logGD-logG0= -0.002552 tlogG= -0.011982 logG= -0.014534 Density= 0.054138 ETOT(band)= -0.058320 trlgG= -0.073574 logG= -0.014534 TDE= -0.085831 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009085 tlogG= -0.047624 logG= -0.056710 logGD-logG0= -0.004890 tlogG= -0.021556 logG= -0.026447 Density= 0.108512 ETOT(band)= -0.114927 trlgG= -0.142876 logG= -0.026447 TDE= -0.170126 Density= 0.212906 ETOT(band)= -0.234159 trlgG= -0.293021 logG= -0.056710 TDE= -0.341667 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005133 tlogG= -0.023425 logG= -0.028558 Density= 0.108130 ETOT(band)= -0.116428 trlgG= -0.146339 logG= -0.028558 TDE= -0.171289 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022451 logG= -0.027474 Density= 0.108200 ETOT(band)= -0.115786 trlgG= -0.144616 logG= -0.027474 TDE= -0.170684 logGD-logG0= -0.005268 tlogG= -0.024066 logG= -0.029334 logGD-logG0= -0.005275 tlogG= -0.024084 logG= -0.029359 Density= 0.107640 ETOT(band)= -0.117120 trlgG= -0.147573 logG= -0.029334 TDE= -0.171505 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107887 ETOT(band)= -0.117027 trlgG= -0.147635 logG= -0.029359 TDE= -0.171664 logGD-logG0= -0.005091 tlogG= -0.022977 logG= -0.028068 logGD-logG0= -0.009517 tlogG= -0.047922 logG= -0.057439 Density= 0.108133 ETOT(band)= -0.116158 trlgG= -0.145564 logG= -0.028068 TDE= -0.171006 Density= 0.213256 ETOT(band)= -0.234366 trlgG= -0.293665 logG= -0.057439 TDE= -0.341756 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022403 logG= -0.027403 Density= 0.107628 ETOT(band)= -0.116016 trlgG= -0.144499 logG= -0.027403 TDE= -0.170356 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023496 logG= -0.028219 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 Density= 0.053982 ETOT(band)= -0.058442 trlgG= -0.073696 logG= -0.014607 TDE= -0.085803 Density= 0.106764 ETOT(band)= -0.116869 trlgG= -0.146012 logG= -0.028219 TDE= -0.170626 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009831 tlogG= -0.045640 logG= -0.055470 logGD-logG0= -0.005218 tlogG= -0.023963 logG= -0.029181 Density= 0.107441 ETOT(band)= -0.117107 trlgG= -0.147300 logG= -0.029181 TDE= -0.171287 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215139 ETOT(band)= -0.232489 trlgG= -0.290113 logG= -0.055470 TDE= -0.341104 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023600 logG= -0.028714 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108203 ETOT(band)= -0.116474 trlgG= -0.146583 logG= -0.028714 TDE= -0.171413 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023683 logG= -0.028379 Density= 0.106968 ETOT(band)= -0.116898 trlgG= -0.146547 logG= -0.028379 TDE= -0.171101 logGD-logG0= -0.005308 tlogG= -0.024130 logG= -0.029438 logGD-logG0= -0.005100 tlogG= -0.022869 logG= -0.027969 logGD-logG0= -0.004668 tlogG= -0.023664 logG= -0.028333 Density= 0.106588 ETOT(band)= -0.117017 trlgG= -0.146444 logG= -0.028333 TDE= -0.170856 Density= 0.107809 ETOT(band)= -0.117115 trlgG= -0.147761 logG= -0.029438 TDE= -0.171673 logGD-logG0= -0.004894 tlogG= -0.023887 logG= -0.028781 Density= 0.106749 ETOT(band)= -0.117171 trlgG= -0.146970 logG= -0.028781 TDE= -0.171014 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107611 ETOT(band)= -0.116349 trlgG= -0.145396 logG= -0.027969 TDE= -0.170678 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024065 logG= -0.028935 Density= 0.107050 ETOT(band)= -0.117150 trlgG= -0.147223 logG= -0.028935 TDE= -0.171262 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023189 logG= -0.028481 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107679 ETOT(band)= -0.116597 trlgG= -0.146205 logG= -0.028481 TDE= -0.171009 logGD-logG0= -0.004728 tlogG= -0.022848 logG= -0.027575 Density= 0.107290 ETOT(band)= -0.116291 trlgG= -0.145112 logG= -0.027575 TDE= -0.170629 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010422 logG= -0.012817 Density= 0.054377 ETOT(band)= -0.057096 trlgG= -0.070719 logG= -0.012817 TDE= -0.084810 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024055 logG= -0.029305 Density= 0.107946 ETOT(band)= -0.116959 trlgG= -0.147546 logG= -0.029305 TDE= -0.171658 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021689 logG= -0.026684 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107926 ETOT(band)= -0.115394 trlgG= -0.143311 logG= -0.026684 TDE= -0.170034 logGD-logG0= -0.009446 tlogG= -0.045751 logG= -0.055197 Density= 0.215006 ETOT(band)= -0.232414 trlgG= -0.290123 logG= -0.055197 TDE= -0.341321 logGD-logG0= -0.004976 tlogG= -0.021868 logG= -0.026844 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108321 ETOT(band)= -0.115295 trlgG= -0.143557 logG= -0.026844 TDE= -0.170316 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009761 tlogG= -0.048236 logG= -0.057997 Density= 0.214392 ETOT(band)= -0.234257 trlgG= -0.294518 logG= -0.057997 TDE= -0.342613 logGD-logG0= -0.009627 tlogG= -0.047152 logG= -0.056779 logGD-logG0= -0.009726 tlogG= -0.045582 logG= -0.055308 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 Density= 0.213752 ETOT(band)= -0.233855 trlgG= -0.292946 logG= -0.056779 TDE= -0.341942 Density= 0.035841 ETOT(band)= -0.038594 trlgG= -0.047928 logG= -0.008988 TDE= -0.056676 Density= 0.214348 ETOT(band)= -0.232768 trlgG= -0.290304 logG= -0.055308 TDE= -0.341067 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009906 tlogG= -0.047893 logG= -0.057800 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.047739 logG= -0.058222 Density= 0.214750 ETOT(band)= -0.234179 trlgG= -0.294354 logG= -0.058222 TDE= -0.342402 Density= 0.213957 ETOT(band)= -0.234298 trlgG= -0.294209 logG= -0.057800 TDE= -0.342286 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009399 tlogG= -0.047440 logG= -0.056839 Density= 0.214299 ETOT(band)= -0.233683 trlgG= -0.293073 logG= -0.056839 TDE= -0.342281 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010348 tlogG= -0.047778 logG= -0.058126 logGD-logG0= -0.010438 tlogG= -0.048073 logG= -0.058511 Density= 0.214649 ETOT(band)= -0.234173 trlgG= -0.294186 logG= -0.058126 TDE= -0.342279 Density= 0.215066 ETOT(band)= -0.234231 trlgG= -0.294864 logG= -0.058511 TDE= -0.342778 logGD-logG0= -0.009790 tlogG= -0.047145 logG= -0.056935 Density= 0.213763 ETOT(band)= -0.233899 trlgG= -0.292737 logG= -0.056935 TDE= -0.341583 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023946 logG= -0.029069 Density= 0.108229 ETOT(band)= -0.116664 trlgG= -0.147153 logG= -0.029069 TDE= -0.171641 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.021813 logG= -0.026868 logGD-logG0= -0.010030 tlogG= -0.048021 logG= -0.058051 logGD-logG0= -0.010572 tlogG= -0.047522 logG= -0.058094 Density= 0.214523 ETOT(band)= -0.234203 trlgG= -0.294266 logG= -0.058051 TDE= -0.342371 Density= 0.215699 ETOT(band)= -0.233673 trlgG= -0.294230 logG= -0.058094 TDE= -0.342875 Density= 0.107783 ETOT(band)= -0.115587 trlgG= -0.143622 logG= -0.026868 TDE= -0.170091 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010149 tlogG= -0.047651 logG= -0.057800 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213938 ETOT(band)= -0.234285 trlgG= -0.293961 logG= -0.057800 TDE= -0.342028 logGD-logG0= -0.010586 tlogG= -0.046867 logG= -0.057453 logGD-logG0= -0.010544 tlogG= -0.047410 logG= -0.057954 Density= 0.215425 ETOT(band)= -0.233439 trlgG= -0.293190 logG= -0.057453 TDE= -0.342340 Density= 0.215465 ETOT(band)= -0.233715 trlgG= -0.293991 logG= -0.057954 TDE= -0.342660 logGD-logG0= -0.010146 tlogG= -0.046402 logG= -0.056547 logGD-logG0= -0.010497 tlogG= -0.047935 logG= -0.058432 Density= 0.215896 ETOT(band)= -0.233789 trlgG= -0.294792 logG= -0.058432 TDE= -0.343196 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215208 ETOT(band)= -0.233050 trlgG= -0.291747 logG= -0.056547 TDE= -0.341696 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047298 logG= -0.057675 Density= 0.214251 ETOT(band)= -0.234076 trlgG= -0.293436 logG= -0.057675 TDE= -0.341783 logGD-logG0= -0.010634 tlogG= -0.048135 logG= -0.058769 Density= 0.215421 ETOT(band)= -0.234246 trlgG= -0.295327 logG= -0.058769 TDE= -0.343159 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047142 logG= -0.057199 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215144 ETOT(band)= -0.233452 trlgG= -0.292766 logG= -0.057199 TDE= -0.342031 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.020981 logG= -0.025790 Density= 0.108709 ETOT(band)= -0.114339 trlgG= -0.141717 logG= -0.025790 TDE= -0.169722 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.080633 ETOT(band)= -0.087439 trlgG= -0.109658 logG= -0.007000 TDE= -0.042761 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023969 logG= -0.028530 Density= 0.212789 ETOT(band)= -0.234395 trlgG= -0.293624 logG= -0.028530 TDE= -0.170892 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023953 logG= -0.029014 logGD-logG0= -0.005102 tlogG= -0.022433 logG= -0.027535 Density= 0.216364 ETOT(band)= -0.231389 trlgG= -0.288719 logG= -0.027535 TDE= -0.170626 Density= 0.214331 ETOT(band)= -0.234209 trlgG= -0.294044 logG= -0.029014 TDE= -0.171125 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023410 logG= -0.028600 Density= 0.216196 ETOT(band)= -0.232760 trlgG= -0.292323 logG= -0.028600 TDE= -0.171249 logGD-logG0= -0.005163 tlogG= -0.022962 logG= -0.028125 Density= 0.216221 ETOT(band)= -0.232187 trlgG= -0.290707 logG= -0.028125 TDE= -0.170961 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009985 tlogG= -0.043378 logG= -0.053363 Density= 0.216270 ETOT(band)= -0.230574 trlgG= -0.286596 logG= -0.053363 TDE= -0.340254 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004902 tlogG= -0.023877 logG= -0.028779 Density= 0.213774 ETOT(band)= -0.234126 trlgG= -0.293139 logG= -0.028779 TDE= -0.170855 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005466 logG= -0.006687 Density= 0.081198 ETOT(band)= -0.086394 trlgG= -0.107413 logG= -0.006687 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005301 tlogG= -0.023896 logG= -0.029197 Density= 0.107750 ETOT(band)= -0.116986 trlgG= -0.147357 logG= -0.029197 TDE= -0.171479 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024088 logG= -0.029070 Density= 0.107375 ETOT(band)= -0.117087 trlgG= -0.147194 logG= -0.029070 TDE= -0.171258 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.022844 logG= -0.027696 Density= 0.107743 ETOT(band)= -0.116144 trlgG= -0.144983 logG= -0.027696 TDE= -0.170603 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047216 logG= -0.056971 Density= 0.214466 ETOT(band)= -0.233642 trlgG= -0.292845 logG= -0.056971 TDE= -0.342003 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023684 logG= -0.028502 Density= 0.107373 ETOT(band)= -0.116776 trlgG= -0.146453 logG= -0.028502 TDE= -0.171084 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010520 tlogG= -0.048006 logG= -0.058526 Density= 0.215103 ETOT(band)= -0.234222 trlgG= -0.294891 logG= -0.058526 TDE= -0.342809 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.047884 logG= -0.058436 Density= 0.215767 ETOT(band)= -0.233862 trlgG= -0.294795 logG= -0.058436 TDE= -0.343132 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010287 tlogG= -0.047970 logG= -0.058257 Density= 0.215068 ETOT(band)= -0.234086 trlgG= -0.294447 logG= -0.058257 TDE= -0.342616 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004283 tlogG= -0.024129 logG= -0.028412 Density= 0.212149 ETOT(band)= -0.234502 trlgG= -0.293829 logG= -0.028412 TDE= -0.171040 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004416 tlogG= -0.023737 logG= -0.028153 Density= 0.213066 ETOT(band)= -0.233709 trlgG= -0.291902 logG= -0.028153 TDE= -0.170842 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007211 Density= 0.080831 ETOT(band)= -0.087687 trlgG= -0.110410 logG= -0.007211 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.007965 logG= -0.009392 Density= 0.070859 ETOT(band)= -0.077991 trlgG= -0.097500 logG= -0.009392 TDE= -0.056983 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062536 ETOT(band)= -0.067578 trlgG= -0.084245 logG= -0.006351 TDE= -0.042374 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001688 tlogG= -0.007114 logG= -0.008802 Density= 0.072228 ETOT(band)= -0.076514 trlgG= -0.094879 logG= -0.008802 TDE= -0.056642 logGD-logG0= -0.004930 tlogG= -0.022288 logG= -0.027218 Density= 0.214244 ETOT(band)= -0.232558 trlgG= -0.289574 logG= -0.027218 TDE= -0.170228 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007123 Density= 0.080646 ETOT(band)= -0.087654 trlgG= -0.110213 logG= -0.007123 TDE= -0.042827 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004471 tlogG= -0.023583 logG= -0.028055 Density= 0.212597 ETOT(band)= -0.234119 trlgG= -0.292879 logG= -0.028055 TDE= -0.170757 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042691 trlgG= -0.052817 logG= -0.008447 TDE= -0.056481 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021873 logG= -0.026936 Density= 0.216622 ETOT(band)= -0.230390 trlgG= -0.286599 logG= -0.026936 TDE= -0.170285 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004587 tlogG= -0.023886 logG= -0.028473 Density= 0.213264 ETOT(band)= -0.233982 trlgG= -0.292628 logG= -0.028473 TDE= -0.170844 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023952 logG= -0.029115 Density= 0.216391 ETOT(band)= -0.233336 trlgG= -0.294234 logG= -0.029115 TDE= -0.171629 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005982 logG= -0.007254 logGD-logG0= -0.004950 tlogG= -0.022901 logG= -0.027851 Density= 0.214784 ETOT(band)= -0.232513 trlgG= -0.289816 logG= -0.027851 TDE= -0.170492 Density= 0.081061 ETOT(band)= -0.087589 trlgG= -0.110462 logG= -0.007254 TDE= -0.042911 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023895 logG= -0.029242 Density= 0.215644 ETOT(band)= -0.233865 trlgG= -0.294677 logG= -0.029242 TDE= -0.171496 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005618 logG= -0.006851 Density= 0.080834 ETOT(band)= -0.087009 trlgG= -0.108654 logG= -0.006851 TDE= -0.042685 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008925 tlogG= -0.048089 logG= -0.057014 Density= 0.425494 ETOT(band)= -0.468590 trlgG= -0.586737 logG= -0.057014 TDE= -0.341902 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071492 ETOT(band)= -0.077386 trlgG= -0.096198 logG= -0.009153 TDE= -0.056758 logGD-logG0= -0.004898 tlogG= -0.022470 logG= -0.027368 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215009 ETOT(band)= -0.231776 trlgG= -0.288170 logG= -0.027368 TDE= -0.170241 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023997 logG= -0.029203 Density= 0.215685 ETOT(band)= -0.233963 trlgG= -0.294950 logG= -0.029203 TDE= -0.171639 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009618 tlogG= -0.047641 logG= -0.057259 Density= 0.426640 ETOT(band)= -0.468609 trlgG= -0.587252 logG= -0.057259 TDE= -0.341921 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.021198 logG= -0.026130 Density= 0.216338 ETOT(band)= -0.230145 trlgG= -0.285652 logG= -0.026130 TDE= -0.169858 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005396 tlogG= -0.023681 logG= -0.029076 Density= 0.215404 ETOT(band)= -0.233719 trlgG= -0.293980 logG= -0.029076 TDE= -0.171318 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046391 logG= -0.056289 Density= 0.429507 ETOT(band)= -0.465785 trlgG= -0.581773 logG= -0.056289 TDE= -0.341452 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024153 logG= -0.029154 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.214735 ETOT(band)= -0.234279 trlgG= -0.294657 logG= -0.029154 TDE= -0.171297 Density= 0.081558 ETOT(band)= -0.085724 trlgG= -0.106250 logG= -0.006506 TDE= -0.042475 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023758 logG= -0.028940 Density= 0.216279 ETOT(band)= -0.233139 trlgG= -0.293530 logG= -0.028940 TDE= -0.171488 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024119 logG= -0.029418 Density= 0.215718 ETOT(band)= -0.234119 trlgG= -0.295366 logG= -0.029418 TDE= -0.171673 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023840 logG= -0.028898 logGD-logG0= -0.009933 tlogG= -0.044610 logG= -0.054544 Density= 0.324277 ETOT(band)= -0.346834 trlgG= -0.432132 logG= -0.054544 TDE= -0.340897 Density= 0.215493 ETOT(band)= -0.233866 trlgG= -0.294400 logG= -0.028898 TDE= -0.171175 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004666 tlogG= -0.023363 logG= -0.028029 logGD-logG0= -0.004755 tlogG= -0.024002 logG= -0.028757 Density= 0.321618 ETOT(band)= -0.350232 trlgG= -0.438957 logG= -0.028029 TDE= -0.170961 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321552 ETOT(band)= -0.351280 trlgG= -0.441534 logG= -0.028757 TDE= -0.171287 logGD-logG0= -0.009414 tlogG= -0.046705 logG= -0.056120 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427859 ETOT(band)= -0.466365 trlgG= -0.582110 logG= -0.056120 TDE= -0.341342 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024158 logG= -0.029185 Density= 0.322433 ETOT(band)= -0.351387 trlgG= -0.442210 logG= -0.029185 TDE= -0.171292 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.047778 logG= -0.058146 Density= 0.324352 ETOT(band)= -0.350067 trlgG= -0.441200 logG= -0.058146 TDE= -0.343153 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021293 logG= -0.026184 Density= 0.162647 ETOT(band)= -0.173062 trlgG= -0.216001 logG= -0.026184 TDE= -0.169939 logGD-logG0= -0.010144 tlogG= -0.045617 logG= -0.055761 Density= 0.324036 ETOT(band)= -0.348104 trlgG= -0.435147 logG= -0.055761 TDE= -0.341576 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010415 tlogG= -0.047227 logG= -0.057642 Density= 0.324131 ETOT(band)= -0.349701 trlgG= -0.439853 logG= -0.057642 TDE= -0.342760 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009572 tlogG= -0.047760 logG= -0.057332 Density= 0.427145 ETOT(band)= -0.468156 trlgG= -0.586100 logG= -0.057332 TDE= -0.341623 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023241 logG= -0.028006 logGD-logG0= -0.010414 tlogG= -0.046405 logG= -0.056819 logGD-logG0= -0.005233 tlogG= -0.024079 logG= -0.029311 Density= 0.323991 ETOT(band)= -0.349047 trlgG= -0.437767 logG= -0.056819 TDE= -0.342202 logGD-logG0= -0.004817 tlogG= -0.023833 logG= -0.028650 Density= 0.213559 ETOT(band)= -0.234267 trlgG= -0.293876 logG= -0.028650 TDE= -0.171111 Density= 0.323058 ETOT(band)= -0.351356 trlgG= -0.442861 logG= -0.029311 TDE= -0.171486 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213482 ETOT(band)= -0.233735 trlgG= -0.292360 logG= -0.028006 TDE= -0.170806 logGD-logG0= -0.004722 tlogG= -0.024003 logG= -0.028725 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214110 ETOT(band)= -0.234202 trlgG= -0.294262 logG= -0.028725 TDE= -0.171292 logGD-logG0= -0.004634 tlogG= -0.023367 logG= -0.028001 logGD-logG0= -0.005169 tlogG= -0.023996 logG= -0.029165 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216357 ETOT(band)= -0.233441 trlgG= -0.294467 logG= -0.029165 TDE= -0.171657 Density= 0.214170 ETOT(band)= -0.233489 trlgG= -0.292468 logG= -0.028001 TDE= -0.170969 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023239 logG= -0.028252 Density= 0.321688 ETOT(band)= -0.350736 trlgG= -0.439808 logG= -0.028252 TDE= -0.170915 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023954 logG= -0.029286 Density= 0.323660 ETOT(band)= -0.350816 trlgG= -0.442295 logG= -0.029286 TDE= -0.171544 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048141 logG= -0.058250 Density= 0.429286 ETOT(band)= -0.468492 trlgG= -0.588876 logG= -0.058250 TDE= -0.342435 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023189 logG= -0.028343 Density= 0.214858 ETOT(band)= -0.233066 trlgG= -0.291347 logG= -0.028343 TDE= -0.170680 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023348 logG= -0.028769 Density= 0.215100 ETOT(band)= -0.233463 trlgG= -0.292841 logG= -0.028769 TDE= -0.171025 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047948 logG= -0.058227 logGD-logG0= -0.009606 tlogG= -0.047832 logG= -0.057438 Density= 0.429189 ETOT(band)= -0.468454 trlgG= -0.588525 logG= -0.058227 TDE= -0.342277 Density= 0.428013 ETOT(band)= -0.468388 trlgG= -0.588110 logG= -0.057438 TDE= -0.342389 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009468 tlogG= -0.046599 logG= -0.056067 Density= 0.428068 ETOT(band)= -0.467086 trlgG= -0.584716 logG= -0.056067 TDE= -0.341757 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010623 tlogG= -0.047718 logG= -0.058342 Density= 0.430743 ETOT(band)= -0.467741 trlgG= -0.588596 logG= -0.058342 TDE= -0.342794 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010721 tlogG= -0.047686 logG= -0.058407 Density= 0.431087 ETOT(band)= -0.467682 trlgG= -0.588953 logG= -0.058407 TDE= -0.342901 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.047845 logG= -0.057627 Density= 0.429119 ETOT(band)= -0.468158 trlgG= -0.588074 logG= -0.057627 TDE= -0.342374 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.047660 logG= -0.057881 Density= 0.428269 ETOT(band)= -0.468369 trlgG= -0.587441 logG= -0.057881 TDE= -0.342030 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046921 logG= -0.057204 Density= 0.429862 ETOT(band)= -0.466696 trlgG= -0.584473 logG= -0.057204 TDE= -0.341744 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047560 logG= -0.057767 logGD-logG0= -0.004974 tlogG= -0.021343 logG= -0.026317 Density= 0.217016 ETOT(band)= -0.229280 trlgG= -0.284390 logG= -0.026317 TDE= -0.169952 Density= 0.429995 ETOT(band)= -0.467342 trlgG= -0.586404 logG= -0.057767 TDE= -0.342190 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047257 logG= -0.057940 Density= 0.430470 ETOT(band)= -0.467318 trlgG= -0.587124 logG= -0.057940 TDE= -0.342410 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022322 logG= -0.027139 Density= 0.322856 ETOT(band)= -0.348148 trlgG= -0.434200 logG= -0.027139 TDE= -0.170308 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004776 tlogG= -0.022322 logG= -0.027098 Density= 0.215016 ETOT(band)= -0.232066 trlgG= -0.289216 logG= -0.027098 TDE= -0.170314 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005240 tlogG= -0.023795 logG= -0.029035 Density= 0.215330 ETOT(band)= -0.233871 trlgG= -0.294294 logG= -0.029035 TDE= -0.171487 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009780 tlogG= -0.044615 logG= -0.054395 Density= 0.431589 ETOT(band)= -0.462300 trlgG= -0.574977 logG= -0.054395 TDE= -0.340536 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010656 tlogG= -0.048032 logG= -0.058688 Density= 0.323244 ETOT(band)= -0.351147 trlgG= -0.442555 logG= -0.058688 TDE= -0.343148 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023476 logG= -0.028712 Density= 0.215209 ETOT(band)= -0.233437 trlgG= -0.293032 logG= -0.028712 TDE= -0.171229 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.047551 logG= -0.057514 Density= 0.428585 ETOT(band)= -0.467713 trlgG= -0.586476 logG= -0.057514 TDE= -0.342074 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009649 tlogG= -0.046596 logG= -0.056244 Density= 0.322691 ETOT(band)= -0.349180 trlgG= -0.436590 logG= -0.056244 TDE= -0.341730 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010244 tlogG= -0.048212 logG= -0.058456 Density= 0.430027 ETOT(band)= -0.468492 trlgG= -0.589645 logG= -0.058456 TDE= -0.342653 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.048012 logG= -0.058657 Density= 0.431330 ETOT(band)= -0.467964 trlgG= -0.589947 logG= -0.058657 TDE= -0.343166 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010455 tlogG= -0.048061 logG= -0.058515 Density= 0.430134 ETOT(band)= -0.468322 trlgG= -0.589316 logG= -0.058515 TDE= -0.342778 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.975357659924 eV TrLogG= -407.441476229201 eV Ratio to renormalize= 1.000069052768 rho-rho_expected=-0.001519056001 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964781668723028 0.940657192379416 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002326 tlogG= -0.011445 logG= -0.013771 Density= 0.053733 ETOT(band)= -0.058096 trlgG= -0.072528 logG= -0.013771 TDE= -0.085347 logGD-logG0= -0.002319 tlogG= -0.011881 logG= -0.014200 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053558 ETOT(band)= -0.058428 trlgG= -0.073294 logG= -0.014200 TDE= -0.085597 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022162 logG= -0.027103 Density= 0.108356 ETOT(band)= -0.115478 trlgG= -0.144005 logG= -0.027103 TDE= -0.170522 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023209 logG= -0.028294 Density= 0.108192 ETOT(band)= -0.116250 trlgG= -0.145918 logG= -0.028294 TDE= -0.171163 logGD-logG0= -0.005275 tlogG= -0.023679 logG= -0.028954 Density= 0.107226 ETOT(band)= -0.117055 trlgG= -0.146904 logG= -0.028954 TDE= -0.171011 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.022868 logG= -0.027968 Density= 0.107610 ETOT(band)= -0.116348 trlgG= -0.145394 logG= -0.027968 TDE= -0.170676 logGD-logG0= -0.004696 tlogG= -0.023682 logG= -0.028379 logGD-logG0= -0.004668 tlogG= -0.023664 logG= -0.028332 Density= 0.106968 ETOT(band)= -0.116897 trlgG= -0.146545 logG= -0.028379 TDE= -0.171099 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106588 ETOT(band)= -0.117016 trlgG= -0.146442 logG= -0.028332 TDE= -0.170855 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012030 logG= -0.014626 Density= 0.053761 ETOT(band)= -0.058559 trlgG= -0.073713 logG= -0.014626 TDE= -0.085690 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002552 tlogG= -0.011981 logG= -0.014533 Density= 0.054138 ETOT(band)= -0.058319 trlgG= -0.073573 logG= -0.014533 TDE= -0.085830 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023600 logG= -0.028714 Density= 0.108203 ETOT(band)= -0.116473 trlgG= -0.146581 logG= -0.028714 TDE= -0.171412 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023866 logG= -0.029127 Density= 0.107914 ETOT(band)= -0.116851 trlgG= -0.147247 logG= -0.029127 TDE= -0.171521 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004543 ETOT(band)= -0.004735 trlgG= -0.005854 logG= -0.001047 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009086 tlogG= -0.047623 logG= -0.056709 Density= 0.212905 ETOT(band)= -0.234156 trlgG= -0.293017 logG= -0.056709 TDE= -0.341664 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.047144 logG= -0.056934 Density= 0.213762 ETOT(band)= -0.233896 trlgG= -0.292733 logG= -0.056934 TDE= -0.341580 logGD-logG0= -0.009517 tlogG= -0.047921 logG= -0.057438 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213256 ETOT(band)= -0.234363 trlgG= -0.293661 logG= -0.057438 TDE= -0.341753 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002414 tlogG= -0.012080 logG= -0.014494 logGD-logG0= -0.001482 tlogG= -0.007810 logG= -0.009292 Density= 0.053581 ETOT(band)= -0.058572 trlgG= -0.073656 logG= -0.014494 TDE= -0.085676 Density= 0.035488 ETOT(band)= -0.038944 trlgG= -0.048628 logG= -0.009292 TDE= -0.056897 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008043 logG= -0.009444 Density= 0.035309 ETOT(band)= -0.039096 trlgG= -0.048993 logG= -0.009444 TDE= -0.057021 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023945 logG= -0.029069 Density= 0.108229 ETOT(band)= -0.116663 trlgG= -0.147151 logG= -0.029069 TDE= -0.171639 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024048 logG= -0.028357 logGD-logG0= -0.005024 tlogG= -0.022450 logG= -0.027474 Density= 0.108200 ETOT(band)= -0.115784 trlgG= -0.144614 logG= -0.027474 TDE= -0.170683 logGD-logG0= -0.005268 tlogG= -0.024065 logG= -0.029334 Density= 0.107640 ETOT(band)= -0.117119 trlgG= -0.147571 logG= -0.029334 TDE= -0.171503 logGD-logG0= -0.004336 tlogG= -0.023971 logG= -0.028307 Density= 0.106157 ETOT(band)= -0.117180 trlgG= -0.146737 logG= -0.028307 TDE= -0.170962 Density= 0.106105 ETOT(band)= -0.117224 trlgG= -0.146851 logG= -0.028357 TDE= -0.171000 logGD-logG0= -0.005092 tlogG= -0.022976 logG= -0.028068 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023758 logG= -0.028895 Density= 0.108177 ETOT(band)= -0.116589 trlgG= -0.146873 logG= -0.028895 TDE= -0.171509 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023425 logG= -0.028557 Density= 0.108129 ETOT(band)= -0.116427 trlgG= -0.146337 logG= -0.028557 TDE= -0.171287 Density= 0.108132 ETOT(band)= -0.116157 trlgG= -0.145562 logG= -0.028068 TDE= -0.171004 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024041 logG= -0.028575 logGD-logG0= -0.004976 tlogG= -0.021867 logG= -0.026843 logGD-logG0= -0.004609 tlogG= -0.023201 logG= -0.027811 Density= 0.106378 ETOT(band)= -0.117211 trlgG= -0.146857 logG= -0.028575 TDE= -0.170923 Density= 0.106726 ETOT(band)= -0.116678 trlgG= -0.145528 logG= -0.027811 TDE= -0.170530 Density= 0.108320 ETOT(band)= -0.115294 trlgG= -0.143555 logG= -0.026843 TDE= -0.170314 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002621 tlogG= -0.011986 logG= -0.014607 Density= 0.053982 ETOT(band)= -0.058441 trlgG= -0.073695 logG= -0.014607 TDE= -0.085802 logGD-logG0= -0.004988 tlogG= -0.023637 logG= -0.028625 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106971 ETOT(band)= -0.116985 trlgG= -0.146355 logG= -0.028625 TDE= -0.170664 logGD-logG0= -0.005275 tlogG= -0.024083 logG= -0.029358 logGD-logG0= -0.005218 tlogG= -0.023962 logG= -0.029180 logGD-logG0= -0.005111 tlogG= -0.023866 logG= -0.028977 Density= 0.108249 ETOT(band)= -0.116599 trlgG= -0.147002 logG= -0.028977 TDE= -0.171592 logGD-logG0= -0.005019 tlogG= -0.022727 logG= -0.027746 Density= 0.107886 ETOT(band)= -0.117026 trlgG= -0.147633 logG= -0.029358 TDE= -0.171662 Density= 0.107440 ETOT(band)= -0.117106 trlgG= -0.147298 logG= -0.029180 TDE= -0.171285 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022402 logG= -0.027402 Density= 0.108246 ETOT(band)= -0.115921 trlgG= -0.145050 logG= -0.027746 TDE= -0.170869 Density= 0.107628 ETOT(band)= -0.116015 trlgG= -0.144497 logG= -0.027402 TDE= -0.170354 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.022985 logG= -0.027681 Density= 0.106862 ETOT(band)= -0.116546 trlgG= -0.145264 logG= -0.027681 TDE= -0.170464 logGD-logG0= -0.004851 tlogG= -0.022844 logG= -0.027695 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023683 logG= -0.028501 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107373 ETOT(band)= -0.116775 trlgG= -0.146451 logG= -0.028501 TDE= -0.171083 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004894 tlogG= -0.023887 logG= -0.028781 Density= 0.107742 ETOT(band)= -0.116143 trlgG= -0.144981 logG= -0.027695 TDE= -0.170602 logGD-logG0= -0.005308 tlogG= -0.024129 logG= -0.029438 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107809 ETOT(band)= -0.117114 trlgG= -0.147759 logG= -0.029438 TDE= -0.171671 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106749 ETOT(band)= -0.117169 trlgG= -0.146968 logG= -0.028781 TDE= -0.171012 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024065 logG= -0.028934 logGD-logG0= -0.004982 tlogG= -0.024088 logG= -0.029070 Density= 0.107050 ETOT(band)= -0.117149 trlgG= -0.147221 logG= -0.028934 TDE= -0.171261 Density= 0.107375 ETOT(band)= -0.117086 trlgG= -0.147192 logG= -0.029070 TDE= -0.171257 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023189 logG= -0.028481 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107679 ETOT(band)= -0.116595 trlgG= -0.146203 logG= -0.028481 TDE= -0.171008 logGD-logG0= -0.004723 tlogG= -0.023495 logG= -0.028218 Density= 0.106764 ETOT(band)= -0.116868 trlgG= -0.146010 logG= -0.028218 TDE= -0.170625 logGD-logG0= -0.004728 tlogG= -0.022847 logG= -0.027575 Density= 0.107289 ETOT(band)= -0.116290 trlgG= -0.145110 logG= -0.027575 TDE= -0.170627 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023895 logG= -0.029197 Density= 0.107749 ETOT(band)= -0.116985 trlgG= -0.147355 logG= -0.029197 TDE= -0.171478 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009446 tlogG= -0.045750 logG= -0.055196 Density= 0.215005 ETOT(band)= -0.232412 trlgG= -0.290119 logG= -0.055196 TDE= -0.341318 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009761 tlogG= -0.048235 logG= -0.057996 Density= 0.214391 ETOT(band)= -0.234255 trlgG= -0.294514 logG= -0.057996 TDE= -0.342610 logGD-logG0= -0.005299 tlogG= -0.023575 logG= -0.028874 Density= 0.107797 ETOT(band)= -0.116756 trlgG= -0.146832 logG= -0.028874 TDE= -0.171302 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009627 tlogG= -0.047151 logG= -0.056778 logGD-logG0= -0.005250 tlogG= -0.024054 logG= -0.029304 Density= 0.213751 ETOT(band)= -0.233852 trlgG= -0.292942 logG= -0.056778 TDE= -0.341939 logGD-logG0= -0.009726 tlogG= -0.045581 logG= -0.055307 Density= 0.214347 ETOT(band)= -0.232765 trlgG= -0.290300 logG= -0.055307 TDE= -0.341064 Density= 0.107946 ETOT(band)= -0.116958 trlgG= -0.147544 logG= -0.029304 TDE= -0.171657 logGD-logG0= -0.009907 tlogG= -0.047892 logG= -0.057799 Density= 0.213956 ETOT(band)= -0.234295 trlgG= -0.294205 logG= -0.057799 TDE= -0.342283 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009399 tlogG= -0.047438 logG= -0.056838 Density= 0.214299 ETOT(band)= -0.233680 trlgG= -0.293069 logG= -0.056838 TDE= -0.342277 logGD-logG0= -0.009831 tlogG= -0.045638 logG= -0.055469 Density= 0.215138 ETOT(band)= -0.232486 trlgG= -0.290109 logG= -0.055469 TDE= -0.341101 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.048071 logG= -0.058510 Density= 0.215065 ETOT(band)= -0.234228 trlgG= -0.294860 logG= -0.058510 TDE= -0.342775 logGD-logG0= -0.010483 tlogG= -0.047737 logG= -0.058220 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010287 tlogG= -0.047969 logG= -0.058256 Density= 0.214750 ETOT(band)= -0.234176 trlgG= -0.294350 logG= -0.058220 TDE= -0.342399 logGD-logG0= -0.010348 tlogG= -0.047777 logG= -0.058125 Density= 0.215068 ETOT(band)= -0.234083 trlgG= -0.294443 logG= -0.058256 TDE= -0.342613 Density= 0.214648 ETOT(band)= -0.234171 trlgG= -0.294182 logG= -0.058125 TDE= -0.342275 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010520 tlogG= -0.048004 logG= -0.058525 Density= 0.215102 ETOT(band)= -0.234219 trlgG= -0.294887 logG= -0.058525 TDE= -0.342805 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001685 tlogG= -0.007303 logG= -0.008988 logGD-logG0= -0.001620 tlogG= -0.006989 logG= -0.008608 Density= 0.036195 ETOT(band)= -0.038142 trlgG= -0.047264 logG= -0.008608 TDE= -0.056567 logGD-logG0= -0.010031 tlogG= -0.048020 logG= -0.058050 logGD-logG0= -0.010149 tlogG= -0.047650 logG= -0.057799 Density= 0.213937 ETOT(band)= -0.234282 trlgG= -0.293957 logG= -0.057799 TDE= -0.342025 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214523 ETOT(band)= -0.234201 trlgG= -0.294262 logG= -0.058050 TDE= -0.342368 logGD-logG0= -0.010573 tlogG= -0.047520 logG= -0.058093 Density= 0.215698 ETOT(band)= -0.233671 trlgG= -0.294226 logG= -0.058093 TDE= -0.342871 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010377 tlogG= -0.047297 logG= -0.057674 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214251 ETOT(band)= -0.234073 trlgG= -0.293432 logG= -0.057674 TDE= -0.341780 logGD-logG0= -0.010498 tlogG= -0.047933 logG= -0.058431 Density= 0.215895 ETOT(band)= -0.233786 trlgG= -0.294788 logG= -0.058431 TDE= -0.343192 logGD-logG0= -0.010586 tlogG= -0.046866 logG= -0.057452 Density= 0.215424 ETOT(band)= -0.233436 trlgG= -0.293186 logG= -0.057452 TDE= -0.342337 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035841 ETOT(band)= -0.038593 trlgG= -0.047928 logG= -0.008988 TDE= -0.056676 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010146 tlogG= -0.046400 logG= -0.056546 Density= 0.215207 ETOT(band)= -0.233047 trlgG= -0.291743 logG= -0.056546 TDE= -0.341693 logGD-logG0= -0.010634 tlogG= -0.048134 logG= -0.058768 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010838 logG= -0.013294 Density= 0.215420 ETOT(band)= -0.234243 trlgG= -0.295323 logG= -0.058768 TDE= -0.343155 Density= 0.054061 ETOT(band)= -0.057615 trlgG= -0.071567 logG= -0.013294 TDE= -0.085025 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010421 logG= -0.012817 Density= 0.054377 ETOT(band)= -0.057095 trlgG= -0.070718 logG= -0.012817 TDE= -0.084809 logGD-logG0= -0.010553 tlogG= -0.047882 logG= -0.058435 Density= 0.215766 ETOT(band)= -0.233860 trlgG= -0.294791 logG= -0.058435 TDE= -0.343128 logGD-logG0= -0.010544 tlogG= -0.047409 logG= -0.057953 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215464 ETOT(band)= -0.233713 trlgG= -0.293988 logG= -0.057953 TDE= -0.342657 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047141 logG= -0.057198 logGD-logG0= -0.009755 tlogG= -0.047215 logG= -0.056970 Density= 0.214466 ETOT(band)= -0.233640 trlgG= -0.292841 logG= -0.056970 TDE= -0.342000 Density= 0.215144 ETOT(band)= -0.233449 trlgG= -0.292762 logG= -0.057198 TDE= -0.342028 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.020980 logG= -0.025789 Density= 0.108708 ETOT(band)= -0.114337 trlgG= -0.141715 logG= -0.025789 TDE= -0.169721 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001233 tlogG= -0.005617 logG= -0.006851 Density= 0.080834 ETOT(band)= -0.087008 trlgG= -0.108653 logG= -0.006851 TDE= -0.042684 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005746 logG= -0.007000 Density= 0.080632 ETOT(band)= -0.087438 trlgG= -0.109657 logG= -0.007000 TDE= -0.042761 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.021689 logG= -0.026684 Density= 0.107926 ETOT(band)= -0.115393 trlgG= -0.143309 logG= -0.026684 TDE= -0.170033 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009985 tlogG= -0.043377 logG= -0.053362 Density= 0.216269 ETOT(band)= -0.230572 trlgG= -0.286592 logG= -0.053362 TDE= -0.340251 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021556 logG= -0.026446 Density= 0.108512 ETOT(band)= -0.114926 trlgG= -0.142874 logG= -0.026446 TDE= -0.170125 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005102 tlogG= -0.022432 logG= -0.027534 Density= 0.216364 ETOT(band)= -0.231387 trlgG= -0.288716 logG= -0.027534 TDE= -0.170624 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023410 logG= -0.028600 Density= 0.216195 ETOT(band)= -0.232758 trlgG= -0.292319 logG= -0.028600 TDE= -0.171247 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023953 logG= -0.029013 Density= 0.214330 ETOT(band)= -0.234206 trlgG= -0.294040 logG= -0.029013 TDE= -0.171123 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.023366 logG= -0.028000 Density= 0.214169 ETOT(band)= -0.233486 trlgG= -0.292464 logG= -0.028000 TDE= -0.170968 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023188 logG= -0.028342 Density= 0.214857 ETOT(band)= -0.233064 trlgG= -0.291343 logG= -0.028342 TDE= -0.170679 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023240 logG= -0.028005 Density= 0.213481 ETOT(band)= -0.233732 trlgG= -0.292356 logG= -0.028005 TDE= -0.170804 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.021812 logG= -0.026867 Density= 0.107782 ETOT(band)= -0.115586 trlgG= -0.143620 logG= -0.026867 TDE= -0.170089 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005938 logG= -0.007210 Density= 0.080830 ETOT(band)= -0.087686 trlgG= -0.110409 logG= -0.007210 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023757 logG= -0.028940 Density= 0.216278 ETOT(band)= -0.233137 trlgG= -0.293526 logG= -0.028940 TDE= -0.171487 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023894 logG= -0.029242 Density= 0.215643 ETOT(band)= -0.233863 trlgG= -0.294673 logG= -0.029242 TDE= -0.171494 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008925 tlogG= -0.048088 logG= -0.057013 Density= 0.425493 ETOT(band)= -0.468584 trlgG= -0.586729 logG= -0.057013 TDE= -0.341898 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009572 tlogG= -0.047759 logG= -0.057331 Density= 0.427144 ETOT(band)= -0.468151 trlgG= -0.586092 logG= -0.057331 TDE= -0.341620 logGD-logG0= -0.009618 tlogG= -0.047639 logG= -0.057258 Density= 0.426639 ETOT(band)= -0.468604 trlgG= -0.587244 logG= -0.057258 TDE= -0.341918 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.007964 logG= -0.009392 Density= 0.070859 ETOT(band)= -0.077991 trlgG= -0.097499 logG= -0.009392 TDE= -0.056982 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021293 logG= -0.026184 Density= 0.162647 ETOT(band)= -0.173060 trlgG= -0.215998 logG= -0.026184 TDE= -0.169937 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004284 tlogG= -0.024128 logG= -0.028412 Density= 0.212148 ETOT(band)= -0.234499 trlgG= -0.293826 logG= -0.028412 TDE= -0.171038 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004472 tlogG= -0.023583 logG= -0.028054 Density= 0.212597 ETOT(band)= -0.234116 trlgG= -0.292875 logG= -0.028054 TDE= -0.170755 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004416 tlogG= -0.023736 logG= -0.028153 Density= 0.213066 ETOT(band)= -0.233706 trlgG= -0.291898 logG= -0.028153 TDE= -0.170840 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009933 tlogG= -0.044609 logG= -0.054543 Density= 0.324276 ETOT(band)= -0.346830 trlgG= -0.432126 logG= -0.054543 TDE= -0.340894 logGD-logG0= -0.001268 tlogG= -0.005854 logG= -0.007122 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080646 ETOT(band)= -0.087653 trlgG= -0.110212 logG= -0.007122 TDE= -0.042826 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006871 logG= -0.008447 Density= 0.040848 ETOT(band)= -0.042691 trlgG= -0.052816 logG= -0.008447 TDE= -0.056481 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062536 ETOT(band)= -0.067578 trlgG= -0.084244 logG= -0.006351 TDE= -0.042373 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004587 tlogG= -0.023886 logG= -0.028472 Density= 0.213263 ETOT(band)= -0.233980 trlgG= -0.292624 logG= -0.028472 TDE= -0.170842 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.022900 logG= -0.027851 Density= 0.214783 ETOT(band)= -0.232511 trlgG= -0.289812 logG= -0.027851 TDE= -0.170490 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023997 logG= -0.029203 Density= 0.215684 ETOT(band)= -0.233960 trlgG= -0.294946 logG= -0.029203 TDE= -0.171638 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005982 logG= -0.007254 Density= 0.081061 ETOT(band)= -0.087588 trlgG= -0.110460 logG= -0.007254 TDE= -0.042911 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001566 tlogG= -0.007587 logG= -0.009153 Density= 0.071491 ETOT(band)= -0.077385 trlgG= -0.096197 logG= -0.009153 TDE= -0.056758 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023995 logG= -0.029164 Density= 0.216356 ETOT(band)= -0.233438 trlgG= -0.294463 logG= -0.029164 TDE= -0.171655 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023795 logG= -0.029035 Density= 0.215330 ETOT(band)= -0.233868 trlgG= -0.294291 logG= -0.029035 TDE= -0.171485 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024001 logG= -0.028757 Density= 0.321551 ETOT(band)= -0.351276 trlgG= -0.441528 logG= -0.028757 TDE= -0.171285 logGD-logG0= -0.005236 tlogG= -0.023475 logG= -0.028712 Density= 0.215208 ETOT(band)= -0.233434 trlgG= -0.293028 logG= -0.028712 TDE= -0.171228 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.024118 logG= -0.029418 Density= 0.215717 ETOT(band)= -0.234117 trlgG= -0.295362 logG= -0.029418 TDE= -0.171671 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023839 logG= -0.028898 Density= 0.215492 ETOT(band)= -0.233863 trlgG= -0.294396 logG= -0.028898 TDE= -0.171174 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024152 logG= -0.029153 Density= 0.214734 ETOT(band)= -0.234276 trlgG= -0.294653 logG= -0.029153 TDE= -0.171296 logGD-logG0= -0.005163 tlogG= -0.023952 logG= -0.029114 Density= 0.216390 ETOT(band)= -0.233334 trlgG= -0.294230 logG= -0.029114 TDE= -0.171628 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022962 logG= -0.028125 logGD-logG0= -0.004902 tlogG= -0.023877 logG= -0.028778 Density= 0.213774 ETOT(band)= -0.234124 trlgG= -0.293135 logG= -0.028778 TDE= -0.170853 logGD-logG0= -0.004561 tlogG= -0.023968 logG= -0.028530 Density= 0.212789 ETOT(band)= -0.234392 trlgG= -0.293620 logG= -0.028530 TDE= -0.170891 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010369 tlogG= -0.047777 logG= -0.058145 Density= 0.324351 ETOT(band)= -0.350064 trlgG= -0.441194 logG= -0.058145 TDE= -0.343150 logGD-logG0= -0.010144 tlogG= -0.045616 logG= -0.055759 Density= 0.324035 ETOT(band)= -0.348100 trlgG= -0.435141 logG= -0.055759 TDE= -0.341573 logGD-logG0= -0.005027 tlogG= -0.024158 logG= -0.029185 Density= 0.322432 ETOT(band)= -0.351383 trlgG= -0.442205 logG= -0.029185 TDE= -0.171291 logGD-logG0= -0.001201 tlogG= -0.005305 logG= -0.006506 Density= 0.081557 ETOT(band)= -0.085723 trlgG= -0.106249 logG= -0.006506 TDE= -0.042475 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216220 ETOT(band)= -0.232185 trlgG= -0.290703 logG= -0.028125 TDE= -0.170960 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.024078 logG= -0.029311 Density= 0.323056 ETOT(band)= -0.351352 trlgG= -0.442855 logG= -0.029311 TDE= -0.171485 logGD-logG0= -0.010416 tlogG= -0.047225 logG= -0.057641 Density= 0.324130 ETOT(band)= -0.349698 trlgG= -0.439847 logG= -0.057641 TDE= -0.342757 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023832 logG= -0.028650 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213558 ETOT(band)= -0.234264 trlgG= -0.293873 logG= -0.028650 TDE= -0.171109 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.024003 logG= -0.028725 Density= 0.214109 ETOT(band)= -0.234199 trlgG= -0.294258 logG= -0.028725 TDE= -0.171290 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023238 logG= -0.028251 logGD-logG0= -0.009649 tlogG= -0.046594 logG= -0.056243 Density= 0.322690 ETOT(band)= -0.349176 trlgG= -0.436584 logG= -0.056243 TDE= -0.341727 logGD-logG0= -0.010415 tlogG= -0.046403 logG= -0.056818 Density= 0.323990 ETOT(band)= -0.349043 trlgG= -0.437762 logG= -0.056818 TDE= -0.342199 Density= 0.321687 ETOT(band)= -0.350733 trlgG= -0.439802 logG= -0.028251 TDE= -0.170914 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023680 logG= -0.029076 Density= 0.215403 ETOT(band)= -0.233716 trlgG= -0.293976 logG= -0.029076 TDE= -0.171317 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007114 logG= -0.008802 logGD-logG0= -0.004666 tlogG= -0.023362 logG= -0.028029 Density= 0.321617 ETOT(band)= -0.350228 trlgG= -0.438951 logG= -0.028029 TDE= -0.170960 Density= 0.072227 ETOT(band)= -0.076513 trlgG= -0.094877 logG= -0.008802 TDE= -0.056642 logGD-logG0= -0.005332 tlogG= -0.023953 logG= -0.029286 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009414 tlogG= -0.046704 logG= -0.056118 Density= 0.323659 ETOT(band)= -0.350812 trlgG= -0.442290 logG= -0.029286 TDE= -0.171543 Density= 0.427858 ETOT(band)= -0.466360 trlgG= -0.582102 logG= -0.056118 TDE= -0.341339 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010656 tlogG= -0.048030 logG= -0.058687 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323243 ETOT(band)= -0.351143 trlgG= -0.442550 logG= -0.058687 TDE= -0.343145 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023348 logG= -0.028768 logGD-logG0= -0.004930 tlogG= -0.022287 logG= -0.027217 Density= 0.215099 ETOT(band)= -0.233461 trlgG= -0.292837 logG= -0.028768 TDE= -0.171023 logGD-logG0= -0.009606 tlogG= -0.047831 logG= -0.057437 Density= 0.214243 ETOT(band)= -0.232555 trlgG= -0.289570 logG= -0.027217 TDE= -0.170226 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428012 ETOT(band)= -0.468383 trlgG= -0.588102 logG= -0.057437 TDE= -0.342386 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046390 logG= -0.056288 Density= 0.429506 ETOT(band)= -0.465779 trlgG= -0.581766 logG= -0.056288 TDE= -0.341449 logGD-logG0= -0.010222 tlogG= -0.047658 logG= -0.057880 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428268 ETOT(band)= -0.468364 trlgG= -0.587433 logG= -0.057880 TDE= -0.342027 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047947 logG= -0.058226 Density= 0.429187 ETOT(band)= -0.468449 trlgG= -0.588517 logG= -0.058226 TDE= -0.342274 logGD-logG0= -0.010455 tlogG= -0.048060 logG= -0.058514 Density= 0.430132 ETOT(band)= -0.468317 trlgG= -0.589308 logG= -0.058514 TDE= -0.342775 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048139 logG= -0.058249 logGD-logG0= -0.010244 tlogG= -0.048211 logG= -0.058455 Density= 0.429284 ETOT(band)= -0.468487 trlgG= -0.588868 logG= -0.058249 TDE= -0.342431 logGD-logG0= -0.009468 tlogG= -0.046598 logG= -0.056066 Density= 0.428067 ETOT(band)= -0.467080 trlgG= -0.584708 logG= -0.056066 TDE= -0.341754 Density= 0.430025 ETOT(band)= -0.468487 trlgG= -0.589637 logG= -0.058455 TDE= -0.342650 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.047685 logG= -0.058406 Density= 0.431085 ETOT(band)= -0.467677 trlgG= -0.588945 logG= -0.058406 TDE= -0.342897 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010624 tlogG= -0.047717 logG= -0.058340 Density= 0.430742 ETOT(band)= -0.467736 trlgG= -0.588588 logG= -0.058340 TDE= -0.342791 logGD-logG0= -0.009782 tlogG= -0.047844 logG= -0.057626 Density= 0.429117 ETOT(band)= -0.468152 trlgG= -0.588067 logG= -0.057626 TDE= -0.342371 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046919 logG= -0.057202 Density= 0.429861 ETOT(band)= -0.466691 trlgG= -0.584465 logG= -0.057202 TDE= -0.341741 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.048010 logG= -0.058656 Density= 0.431328 ETOT(band)= -0.467959 trlgG= -0.589939 logG= -0.058656 TDE= -0.343162 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.047550 logG= -0.057513 Density= 0.428584 ETOT(band)= -0.467707 trlgG= -0.586469 logG= -0.057513 TDE= -0.342071 logGD-logG0= -0.010683 tlogG= -0.047256 logG= -0.057939 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430469 ETOT(band)= -0.467313 trlgG= -0.587116 logG= -0.057939 TDE= -0.342406 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047559 logG= -0.057766 Density= 0.429994 ETOT(band)= -0.467337 trlgG= -0.586396 logG= -0.057766 TDE= -0.342187 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022321 logG= -0.027139 Density= 0.322855 ETOT(band)= -0.348145 trlgG= -0.434194 logG= -0.027139 TDE= -0.170307 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001221 tlogG= -0.005466 logG= -0.006686 Density= 0.081198 ETOT(band)= -0.086393 trlgG= -0.107411 logG= -0.006686 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021343 logG= -0.026316 Density= 0.217015 ETOT(band)= -0.229278 trlgG= -0.284387 logG= -0.026316 TDE= -0.169951 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004777 tlogG= -0.022321 logG= -0.027098 Density= 0.215015 ETOT(band)= -0.232063 trlgG= -0.289212 logG= -0.027098 TDE= -0.170313 logGD-logG0= -0.004932 tlogG= -0.021197 logG= -0.026130 Density= 0.216337 ETOT(band)= -0.230142 trlgG= -0.285649 logG= -0.026130 TDE= -0.169857 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004898 tlogG= -0.022469 logG= -0.027367 Density= 0.215009 ETOT(band)= -0.231774 trlgG= -0.288166 logG= -0.027367 TDE= -0.170240 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021872 logG= -0.026935 Density= 0.216621 ETOT(band)= -0.230387 trlgG= -0.286595 logG= -0.026935 TDE= -0.170283 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009781 tlogG= -0.044614 logG= -0.054394 Density= 0.431587 ETOT(band)= -0.462295 trlgG= -0.574970 logG= -0.054394 TDE= -0.340533 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.971828933077 eV TrLogG= -407.435580825727 eV Ratio to renormalize= 1.000072349729 rho-rho_expected=-0.001591578894 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.965091058436449 0.941290864806289 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002315 tlogG= -0.011484 logG= -0.013799 Density= 0.053755 ETOT(band)= -0.058175 trlgG= -0.072643 logG= -0.013799 TDE= -0.085445 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002309 tlogG= -0.011921 logG= -0.014230 Density= 0.053580 ETOT(band)= -0.058508 trlgG= -0.073411 logG= -0.014230 TDE= -0.085696 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022243 logG= -0.027156 Density= 0.108407 ETOT(band)= -0.115626 trlgG= -0.144227 logG= -0.027156 TDE= -0.170716 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004527 tlogG= -0.024109 logG= -0.028636 Density= 0.106416 ETOT(band)= -0.117375 trlgG= -0.147092 logG= -0.028636 TDE= -0.171116 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.023730 logG= -0.028392 Density= 0.106627 ETOT(band)= -0.117179 trlgG= -0.146682 logG= -0.028392 TDE= -0.171054 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023262 logG= -0.028537 logGD-logG0= -0.004985 tlogG= -0.023698 logG= -0.028684 Density= 0.107015 ETOT(band)= -0.117144 trlgG= -0.146596 logG= -0.028684 TDE= -0.170868 Density= 0.107729 ETOT(band)= -0.116748 trlgG= -0.146436 logG= -0.028537 TDE= -0.171209 logGD-logG0= -0.004892 tlogG= -0.023948 logG= -0.028841 Density= 0.106792 ETOT(band)= -0.117330 trlgG= -0.147207 logG= -0.028841 TDE= -0.171212 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000855 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004741 trlgG= -0.005863 logG= -0.001049 TDE= -0.007063 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.008068 logG= -0.009465 Density= 0.035319 ETOT(band)= -0.039153 trlgG= -0.049074 logG= -0.009465 TDE= -0.057087 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001478 tlogG= -0.007834 logG= -0.009311 Density= 0.035500 ETOT(band)= -0.038999 trlgG= -0.048707 logG= -0.009311 TDE= -0.056963 logGD-logG0= -0.002588 tlogG= -0.012067 logG= -0.014655 Density= 0.053787 ETOT(band)= -0.058636 trlgG= -0.073831 logG= -0.014655 TDE= -0.085793 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012119 logG= -0.014524 Density= 0.053605 ETOT(band)= -0.058651 trlgG= -0.073773 logG= -0.014524 TDE= -0.085775 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.022533 logG= -0.027528 Density= 0.108250 ETOT(band)= -0.115934 trlgG= -0.144839 logG= -0.027528 TDE= -0.170878 logGD-logG0= -0.004598 tlogG= -0.023271 logG= -0.027869 logGD-logG0= -0.004300 tlogG= -0.024119 logG= -0.028418 Density= 0.106764 ETOT(band)= -0.116839 trlgG= -0.145762 logG= -0.027869 TDE= -0.170725 logGD-logG0= -0.002604 tlogG= -0.012031 logG= -0.014634 logGD-logG0= -0.004326 tlogG= -0.024042 logG= -0.028368 Density= 0.106192 ETOT(band)= -0.117347 trlgG= -0.146977 logG= -0.028368 TDE= -0.171158 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054010 ETOT(band)= -0.058516 trlgG= -0.073811 logG= -0.014634 TDE= -0.085903 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106139 ETOT(band)= -0.117392 trlgG= -0.147091 logG= -0.028418 TDE= -0.171196 logGD-logG0= -0.002535 tlogG= -0.012025 logG= -0.014560 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054167 ETOT(band)= -0.058393 trlgG= -0.073686 logG= -0.014560 TDE= -0.085930 logGD-logG0= -0.005100 tlogG= -0.023512 logG= -0.028612 Density= 0.108184 ETOT(band)= -0.116576 trlgG= -0.146564 logG= -0.028612 TDE= -0.171487 logGD-logG0= -0.004684 tlogG= -0.023054 logG= -0.027739 Density= 0.106901 ETOT(band)= -0.116706 trlgG= -0.145500 logG= -0.027739 TDE= -0.170662 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.024139 logG= -0.029392 logGD-logG0= -0.004832 tlogG= -0.022918 logG= -0.027751 Density= 0.107789 ETOT(band)= -0.116296 trlgG= -0.145208 logG= -0.027751 TDE= -0.170797 Density= 0.107693 ETOT(band)= -0.117273 trlgG= -0.147808 logG= -0.029392 TDE= -0.171708 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023061 logG= -0.028122 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.024033 logG= -0.029123 Density= 0.108287 ETOT(band)= -0.116811 trlgG= -0.147377 logG= -0.029123 TDE= -0.171840 logGD-logG0= -0.005103 tlogG= -0.023846 logG= -0.028950 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108234 ETOT(band)= -0.116737 trlgG= -0.147099 logG= -0.028950 TDE= -0.171709 Density= 0.108185 ETOT(band)= -0.116307 trlgG= -0.145788 logG= -0.028122 TDE= -0.171202 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.022477 logG= -0.027457 Density= 0.107673 ETOT(band)= -0.116169 trlgG= -0.144727 logG= -0.027457 TDE= -0.170552 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023687 logG= -0.028768 Density= 0.108259 ETOT(band)= -0.116621 trlgG= -0.146807 logG= -0.028768 TDE= -0.171611 logGD-logG0= -0.005077 tlogG= -0.023954 logG= -0.029031 logGD-logG0= -0.004964 tlogG= -0.024164 logG= -0.029128 logGD-logG0= -0.004990 tlogG= -0.022810 logG= -0.027800 logGD-logG0= -0.005053 tlogG= -0.023295 logG= -0.028348 Density= 0.108247 ETOT(band)= -0.116399 trlgG= -0.146143 logG= -0.028348 TDE= -0.171361 Density= 0.108307 ETOT(band)= -0.116746 trlgG= -0.147227 logG= -0.029031 TDE= -0.171792 Density= 0.107425 ETOT(band)= -0.117241 trlgG= -0.147422 logG= -0.029128 TDE= -0.171452 Density= 0.108298 ETOT(band)= -0.116069 trlgG= -0.145274 logG= -0.027800 TDE= -0.171066 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004715 tlogG= -0.023562 logG= -0.028277 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005257 tlogG= -0.023756 logG= -0.029013 Density= 0.107274 ETOT(band)= -0.117211 trlgG= -0.147144 logG= -0.029013 TDE= -0.171216 Density= 0.106804 ETOT(band)= -0.117029 trlgG= -0.146242 logG= -0.028277 TDE= -0.170817 logGD-logG0= -0.005284 tlogG= -0.023970 logG= -0.029254 Density= 0.107803 ETOT(band)= -0.117137 trlgG= -0.147589 logG= -0.029254 TDE= -0.171682 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.024222 logG= -0.029495 logGD-logG0= -0.005240 tlogG= -0.024175 logG= -0.029415 Density= 0.107942 ETOT(band)= -0.117177 trlgG= -0.147867 logG= -0.029415 TDE= -0.171867 Density= 0.107864 ETOT(band)= -0.117267 trlgG= -0.147995 logG= -0.029495 TDE= -0.171876 logGD-logG0= -0.005084 tlogG= -0.022941 logG= -0.028024 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107658 ETOT(band)= -0.116502 trlgG= -0.145626 logG= -0.028024 TDE= -0.170876 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005200 tlogG= -0.024038 logG= -0.029238 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107491 ETOT(band)= -0.117261 trlgG= -0.147536 logG= -0.029238 TDE= -0.171490 logGD-logG0= -0.004675 tlogG= -0.023762 logG= -0.028437 Density= 0.107011 ETOT(band)= -0.117057 trlgG= -0.146781 logG= -0.028437 TDE= -0.171297 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.024144 logG= -0.028993 Density= 0.107096 ETOT(band)= -0.117308 trlgG= -0.147456 logG= -0.028993 TDE= -0.171459 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.024145 logG= -0.029361 logGD-logG0= -0.004799 tlogG= -0.023760 logG= -0.028559 Density= 0.107420 ETOT(band)= -0.116931 trlgG= -0.146681 logG= -0.028559 TDE= -0.171278 logGD-logG0= -0.005227 tlogG= -0.023956 logG= -0.029183 logGD-logG0= -0.004706 tlogG= -0.022925 logG= -0.027631 Density= 0.108002 ETOT(band)= -0.117108 trlgG= -0.147776 logG= -0.029361 TDE= -0.171860 logGD-logG0= -0.005265 tlogG= -0.023665 logG= -0.028930 Density= 0.107851 ETOT(band)= -0.116907 trlgG= -0.147064 logG= -0.028930 TDE= -0.171504 logGD-logG0= -0.001610 tlogG= -0.007015 logG= -0.008625 Density= 0.036212 ETOT(band)= -0.038191 trlgG= -0.047336 logG= -0.008625 TDE= -0.056631 Density= 0.107332 ETOT(band)= -0.116448 trlgG= -0.145342 logG= -0.027631 TDE= -0.170824 Density= 0.107970 ETOT(band)= -0.117002 trlgG= -0.147478 logG= -0.029183 TDE= -0.171724 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009722 tlogG= -0.048392 logG= -0.058114 Density= 0.214487 ETOT(band)= -0.234570 trlgG= -0.294980 logG= -0.058114 TDE= -0.343005 logGD-logG0= -0.002381 tlogG= -0.010461 logG= -0.012842 Density= 0.054404 ETOT(band)= -0.057168 trlgG= -0.070824 logG= -0.012842 TDE= -0.084904 logGD-logG0= -0.009404 tlogG= -0.045904 logG= -0.055307 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215094 ETOT(band)= -0.232723 trlgG= -0.290578 logG= -0.055307 TDE= -0.341710 logGD-logG0= -0.009683 tlogG= -0.045736 logG= -0.055420 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214431 ETOT(band)= -0.233081 trlgG= -0.290766 logG= -0.055420 TDE= -0.341457 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009069 tlogG= -0.047759 logG= -0.056829 Density= 0.212980 ETOT(band)= -0.234484 trlgG= -0.293486 logG= -0.056829 TDE= -0.342051 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009585 tlogG= -0.047310 logG= -0.056895 Density= 0.213835 ETOT(band)= -0.234173 trlgG= -0.293415 logG= -0.056895 TDE= -0.342336 logGD-logG0= -0.009867 tlogG= -0.048051 logG= -0.057918 Density= 0.214047 ETOT(band)= -0.234613 trlgG= -0.294676 logG= -0.057918 TDE= -0.342680 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009510 tlogG= -0.048048 logG= -0.057558 logGD-logG0= -0.002444 tlogG= -0.010875 logG= -0.013320 Density= 0.213339 ETOT(band)= -0.234687 trlgG= -0.294141 logG= -0.057558 TDE= -0.342153 logGD-logG0= -0.009793 tlogG= -0.045788 logG= -0.055581 Density= 0.054085 ETOT(band)= -0.057690 trlgG= -0.071678 logG= -0.013320 TDE= -0.085122 logGD-logG0= -0.009782 tlogG= -0.047270 logG= -0.057052 logGD-logG0= -0.010404 tlogG= -0.048222 logG= -0.058626 Density= 0.215230 ETOT(band)= -0.232795 trlgG= -0.290565 logG= -0.055581 TDE= -0.341490 logGD-logG0= -0.010448 tlogG= -0.047889 logG= -0.058337 Density= 0.214850 ETOT(band)= -0.234486 trlgG= -0.294828 logG= -0.058337 TDE= -0.342809 Density= 0.213848 ETOT(band)= -0.234215 trlgG= -0.293204 logG= -0.057052 TDE= -0.341975 logGD-logG0= -0.009358 tlogG= -0.047596 logG= -0.056954 Density= 0.214388 ETOT(band)= -0.233997 trlgG= -0.293537 logG= -0.056954 TDE= -0.342672 Density= 0.215170 ETOT(band)= -0.234536 trlgG= -0.295334 logG= -0.058626 TDE= -0.343185 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001680 tlogG= -0.007326 logG= -0.009006 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035855 ETOT(band)= -0.038645 trlgG= -0.048004 logG= -0.009006 TDE= -0.056741 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010313 tlogG= -0.047929 logG= -0.058242 Density= 0.214747 ETOT(band)= -0.234482 trlgG= -0.294661 logG= -0.058242 TDE= -0.342686 logGD-logG0= -0.010256 tlogG= -0.048117 logG= -0.058373 Density= 0.215171 ETOT(band)= -0.234392 trlgG= -0.294918 logG= -0.058373 TDE= -0.343023 logGD-logG0= -0.010489 tlogG= -0.048153 logG= -0.058641 Density= 0.215207 ETOT(band)= -0.234527 trlgG= -0.295362 logG= -0.058641 TDE= -0.343216 logGD-logG0= -0.010118 tlogG= -0.047800 logG= -0.057918 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214028 ETOT(band)= -0.234600 trlgG= -0.294427 logG= -0.057918 TDE= -0.342421 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009994 tlogG= -0.048174 logG= -0.058168 Density= 0.214620 ETOT(band)= -0.234514 trlgG= -0.294724 logG= -0.058168 TDE= -0.342760 logGD-logG0= -0.010553 tlogG= -0.047012 logG= -0.057565 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215528 ETOT(band)= -0.233740 trlgG= -0.293652 logG= -0.057565 TDE= -0.342741 logGD-logG0= -0.010354 tlogG= -0.047438 logG= -0.057792 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010515 tlogG= -0.047551 logG= -0.058066 Density= 0.214345 ETOT(band)= -0.234387 trlgG= -0.293906 logG= -0.057792 TDE= -0.342183 logGD-logG0= -0.010113 tlogG= -0.046546 logG= -0.056659 Density= 0.215304 ETOT(band)= -0.233355 trlgG= -0.292210 logG= -0.056659 TDE= -0.342094 Density= 0.215570 ETOT(band)= -0.234017 trlgG= -0.294455 logG= -0.058066 TDE= -0.343064 logGD-logG0= -0.010428 tlogG= -0.048114 logG= -0.058543 Density= 0.216008 ETOT(band)= -0.234087 trlgG= -0.295250 logG= -0.058543 TDE= -0.343598 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010504 tlogG= -0.047701 logG= -0.058205 Density= 0.215807 ETOT(band)= -0.233973 trlgG= -0.294690 logG= -0.058205 TDE= -0.343277 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.048064 logG= -0.058548 logGD-logG0= -0.010600 tlogG= -0.048284 logG= -0.058884 Density= 0.215877 ETOT(band)= -0.234162 trlgG= -0.295256 logG= -0.058548 TDE= -0.343535 Density= 0.215529 ETOT(band)= -0.234549 trlgG= -0.295796 logG= -0.058884 TDE= -0.343566 logGD-logG0= -0.009717 tlogG= -0.047369 logG= -0.057086 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214557 ETOT(band)= -0.233954 trlgG= -0.293304 logG= -0.057086 TDE= -0.342392 logGD-logG0= -0.010024 tlogG= -0.047288 logG= -0.057312 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215243 ETOT(band)= -0.233757 trlgG= -0.293231 logG= -0.057312 TDE= -0.342432 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004780 tlogG= -0.021059 logG= -0.025839 Density= 0.108761 ETOT(band)= -0.114484 trlgG= -0.141930 logG= -0.025839 TDE= -0.169911 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005033 tlogG= -0.021887 logG= -0.026920 Density= 0.107827 ETOT(band)= -0.115739 trlgG= -0.143846 logG= -0.026920 TDE= -0.170285 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004947 tlogG= -0.021948 logG= -0.026895 Density= 0.108371 ETOT(band)= -0.115443 trlgG= -0.143776 logG= -0.026895 TDE= -0.170508 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004972 tlogG= -0.021764 logG= -0.026737 Density= 0.107972 ETOT(band)= -0.115545 trlgG= -0.143534 logG= -0.026737 TDE= -0.170227 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009941 tlogG= -0.043526 logG= -0.053467 Density= 0.216365 ETOT(band)= -0.230874 trlgG= -0.287037 logG= -0.053467 TDE= -0.340639 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004861 tlogG= -0.021636 logG= -0.026497 Density= 0.108563 ETOT(band)= -0.115074 trlgG= -0.143092 logG= -0.026497 TDE= -0.170317 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001226 tlogG= -0.005638 logG= -0.006864 Density= 0.080869 ETOT(band)= -0.087123 trlgG= -0.108823 logG= -0.006864 TDE= -0.042733 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001246 tlogG= -0.005767 logG= -0.007014 Density= 0.080668 ETOT(band)= -0.087554 trlgG= -0.109830 logG= -0.007014 TDE= -0.042810 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.022512 logG= -0.027589 Density= 0.216464 ETOT(band)= -0.231687 trlgG= -0.289164 logG= -0.027589 TDE= -0.170821 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004555 tlogG= -0.024035 logG= -0.028590 Density= 0.212865 ETOT(band)= -0.234721 trlgG= -0.294089 logG= -0.028590 TDE= -0.171083 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004744 tlogG= -0.023320 logG= -0.028063 Density= 0.213560 ETOT(band)= -0.234055 trlgG= -0.292832 logG= -0.028063 TDE= -0.171003 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023913 logG= -0.028709 Density= 0.213643 ETOT(band)= -0.234586 trlgG= -0.294349 logG= -0.028709 TDE= -0.171308 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005406 tlogG= -0.023419 logG= -0.028825 Density= 0.215199 ETOT(band)= -0.233768 trlgG= -0.293306 logG= -0.028825 TDE= -0.171227 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.023938 logG= -0.028838 Density= 0.213862 ETOT(band)= -0.234442 trlgG= -0.293614 logG= -0.028838 TDE= -0.171053 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004406 tlogG= -0.023807 logG= -0.028212 Density= 0.213139 ETOT(band)= -0.234033 trlgG= -0.292370 logG= -0.028212 TDE= -0.171035 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001175 tlogG= -0.005188 logG= -0.006363 Density= 0.062560 ETOT(band)= -0.067670 trlgG= -0.084378 logG= -0.006363 TDE= -0.042421 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001424 tlogG= -0.007988 logG= -0.009412 Density= 0.070882 ETOT(band)= -0.078101 trlgG= -0.097658 logG= -0.009412 TDE= -0.057048 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005959 logG= -0.007224 Density= 0.080871 ETOT(band)= -0.087800 trlgG= -0.110584 logG= -0.007224 TDE= -0.042931 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.006004 logG= -0.007267 Density= 0.081104 ETOT(band)= -0.087700 trlgG= -0.110632 logG= -0.007267 TDE= -0.042961 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004274 tlogG= -0.024199 logG= -0.028473 Density= 0.212216 ETOT(band)= -0.234835 trlgG= -0.294307 logG= -0.028473 TDE= -0.171235 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004461 tlogG= -0.023653 logG= -0.028113 Density= 0.212667 ETOT(band)= -0.234447 trlgG= -0.293351 logG= -0.028113 TDE= -0.170950 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.024087 logG= -0.029258 Density= 0.215795 ETOT(band)= -0.234264 trlgG= -0.295413 logG= -0.029258 TDE= -0.171840 logGD-logG0= -0.001566 tlogG= -0.006897 logG= -0.008463 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040868 ETOT(band)= -0.042745 trlgG= -0.052895 logG= -0.008463 TDE= -0.056544 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001260 tlogG= -0.005876 logG= -0.007136 Density= 0.080683 ETOT(band)= -0.087769 trlgG= -0.110385 logG= -0.007136 TDE= -0.042876 logGD-logG0= -0.004580 tlogG= -0.023953 logG= -0.028533 Density= 0.213342 ETOT(band)= -0.234304 trlgG= -0.293089 logG= -0.028533 TDE= -0.171035 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.022965 logG= -0.027908 Density= 0.214871 ETOT(band)= -0.232823 trlgG= -0.290274 logG= -0.027908 TDE= -0.170686 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023885 logG= -0.029090 Density= 0.215435 ETOT(band)= -0.234174 trlgG= -0.294750 logG= -0.029090 TDE= -0.171687 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005135 tlogG= -0.024084 logG= -0.029219 Density= 0.216472 ETOT(band)= -0.233735 trlgG= -0.294917 logG= -0.029219 TDE= -0.171857 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.024080 logG= -0.028815 Density= 0.321692 ETOT(band)= -0.351749 trlgG= -0.442228 logG= -0.028815 TDE= -0.171483 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001562 tlogG= -0.007610 logG= -0.009172 Density= 0.071519 ETOT(band)= -0.077490 trlgG= -0.096351 logG= -0.009172 TDE= -0.056823 logGD-logG0= -0.005042 tlogG= -0.023913 logG= -0.028956 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215599 ETOT(band)= -0.234168 trlgG= -0.294864 logG= -0.028956 TDE= -0.171377 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001678 tlogG= -0.007141 logG= -0.008819 Density= 0.072260 ETOT(band)= -0.076613 trlgG= -0.095023 logG= -0.008819 TDE= -0.056706 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005008 tlogG= -0.024235 logG= -0.029243 Density= 0.322586 ETOT(band)= -0.351847 trlgG= -0.442910 logG= -0.029243 TDE= -0.171487 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010113 tlogG= -0.045757 logG= -0.055870 Density= 0.324185 ETOT(band)= -0.348553 trlgG= -0.435822 logG= -0.055870 TDE= -0.341969 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.022364 logG= -0.027272 Density= 0.214324 ETOT(band)= -0.232872 trlgG= -0.290036 logG= -0.027272 TDE= -0.170423 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005265 tlogG= -0.024211 logG= -0.029475 logGD-logG0= -0.005220 tlogG= -0.023547 logG= -0.028768 Density= 0.215828 ETOT(band)= -0.234420 trlgG= -0.295831 logG= -0.029475 TDE= -0.171876 Density= 0.215308 ETOT(band)= -0.233742 trlgG= -0.293489 logG= -0.028768 TDE= -0.171429 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023846 logG= -0.028994 Density= 0.216391 ETOT(band)= -0.233434 trlgG= -0.293980 logG= -0.028994 TDE= -0.171688 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004886 tlogG= -0.022537 logG= -0.027423 logGD-logG0= -0.005128 tlogG= -0.024041 logG= -0.029169 logGD-logG0= -0.005157 tlogG= -0.023497 logG= -0.028655 Density= 0.216304 ETOT(band)= -0.233056 trlgG= -0.292773 logG= -0.028655 TDE= -0.171448 Density= 0.216506 ETOT(band)= -0.233630 trlgG= -0.294683 logG= -0.029169 TDE= -0.171829 Density= 0.215095 ETOT(band)= -0.232085 trlgG= -0.288624 logG= -0.027423 TDE= -0.170436 logGD-logG0= -0.005132 tlogG= -0.023048 logG= -0.028180 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216324 ETOT(band)= -0.232484 trlgG= -0.291156 logG= -0.028180 TDE= -0.171158 logGD-logG0= -0.004997 tlogG= -0.023311 logG= -0.028307 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321828 ETOT(band)= -0.351203 trlgG= -0.440503 logG= -0.028307 TDE= -0.171114 logGD-logG0= -0.009610 tlogG= -0.046746 logG= -0.056357 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322830 ETOT(band)= -0.349640 trlgG= -0.437269 logG= -0.056357 TDE= -0.342117 logGD-logG0= -0.004646 tlogG= -0.023440 logG= -0.028086 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010300 tlogG= -0.047955 logG= -0.058255 Density= 0.324522 ETOT(band)= -0.350510 trlgG= -0.441877 logG= -0.058255 TDE= -0.343553 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321751 ETOT(band)= -0.350702 trlgG= -0.439650 logG= -0.028086 TDE= -0.171156 logGD-logG0= -0.005041 tlogG= -0.024031 logG= -0.029073 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214426 ETOT(band)= -0.234520 trlgG= -0.294514 logG= -0.029073 TDE= -0.171321 logGD-logG0= -0.001194 tlogG= -0.005324 logG= -0.006518 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081597 ETOT(band)= -0.085832 trlgG= -0.106409 logG= -0.006518 TDE= -0.042523 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005313 tlogG= -0.023986 logG= -0.029299 logGD-logG0= -0.010349 tlogG= -0.047402 logG= -0.057751 Density= 0.215753 ETOT(band)= -0.234165 trlgG= -0.295138 logG= -0.029299 TDE= -0.171698 Density= 0.324295 ETOT(band)= -0.350146 trlgG= -0.440532 logG= -0.057751 TDE= -0.343159 logGD-logG0= -0.010600 tlogG= -0.048202 logG= -0.058802 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.024151 logG= -0.029369 Density= 0.323406 ETOT(band)= -0.351600 trlgG= -0.443256 logG= -0.058802 TDE= -0.343555 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323218 ETOT(band)= -0.351812 trlgG= -0.443565 logG= -0.029369 TDE= -0.171690 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024230 logG= -0.029212 Density= 0.214834 ETOT(band)= -0.234587 trlgG= -0.295123 logG= -0.029212 TDE= -0.171493 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.024082 logG= -0.028784 Density= 0.214200 ETOT(band)= -0.234517 trlgG= -0.294728 logG= -0.028784 TDE= -0.171489 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.046577 logG= -0.056929 logGD-logG0= -0.005362 tlogG= -0.023771 logG= -0.029133 Density= 0.324148 ETOT(band)= -0.349494 trlgG= -0.438446 logG= -0.056929 TDE= -0.342598 Density= 0.215509 ETOT(band)= -0.234020 trlgG= -0.294443 logG= -0.029133 TDE= -0.171521 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.024045 logG= -0.029343 Density= 0.323825 ETOT(band)= -0.351265 trlgG= -0.442986 logG= -0.029343 TDE= -0.171747 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009397 tlogG= -0.046838 logG= -0.056236 Density= 0.428020 ETOT(band)= -0.466999 trlgG= -0.583043 logG= -0.056236 TDE= -0.341736 logGD-logG0= -0.004613 tlogG= -0.023444 logG= -0.028058 logGD-logG0= -0.005146 tlogG= -0.023253 logG= -0.028400 Density= 0.214950 ETOT(band)= -0.233374 trlgG= -0.291813 logG= -0.028400 TDE= -0.170881 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008910 tlogG= -0.048225 logG= -0.057135 Density= 0.425642 ETOT(band)= -0.469243 trlgG= -0.587672 logG= -0.057135 TDE= -0.342286 Density= 0.214255 ETOT(band)= -0.233805 trlgG= -0.292933 logG= -0.028058 TDE= -0.171165 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009566 tlogG= -0.047989 logG= -0.057555 logGD-logG0= -0.010072 tlogG= -0.048295 logG= -0.058367 Density= 0.428193 ETOT(band)= -0.469019 trlgG= -0.589043 logG= -0.057555 TDE= -0.342782 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429484 ETOT(band)= -0.469110 trlgG= -0.589808 logG= -0.058367 TDE= -0.342825 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.048101 logG= -0.058344 logGD-logG0= -0.010187 tlogG= -0.047812 logG= -0.057999 logGD-logG0= -0.009426 tlogG= -0.046754 logG= -0.056181 Density= 0.428237 ETOT(band)= -0.467718 trlgG= -0.585647 logG= -0.056181 TDE= -0.342148 logGD-logG0= -0.010423 tlogG= -0.048208 logG= -0.058631 Density= 0.429385 ETOT(band)= -0.469073 trlgG= -0.589473 logG= -0.058344 TDE= -0.342682 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428454 ETOT(band)= -0.468995 trlgG= -0.588376 logG= -0.057999 TDE= -0.342423 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010210 tlogG= -0.048362 logG= -0.058572 Density= 0.430340 ETOT(band)= -0.468933 trlgG= -0.590259 logG= -0.058631 TDE= -0.343186 logGD-logG0= -0.010594 tlogG= -0.047862 logG= -0.058456 Density= 0.430955 ETOT(band)= -0.468346 trlgG= -0.589527 logG= -0.058456 TDE= -0.343200 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430233 ETOT(band)= -0.469105 trlgG= -0.590589 logG= -0.058572 TDE= -0.343061 logGD-logG0= -0.009611 tlogG= -0.047766 logG= -0.057377 Density= 0.426804 ETOT(band)= -0.469251 trlgG= -0.588202 logG= -0.057377 TDE= -0.342317 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009860 tlogG= -0.046544 logG= -0.056403 Density= 0.429686 ETOT(band)= -0.466403 trlgG= -0.582685 logG= -0.056403 TDE= -0.341840 logGD-logG0= -0.004862 tlogG= -0.021372 logG= -0.026234 Density= 0.162727 ETOT(band)= -0.173282 trlgG= -0.216328 logG= -0.026234 TDE= -0.170129 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009564 tlogG= -0.047887 logG= -0.057451 Density= 0.427313 ETOT(band)= -0.468792 trlgG= -0.587039 logG= -0.057451 TDE= -0.342018 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010653 tlogG= -0.047868 logG= -0.058521 logGD-logG0= -0.009745 tlogG= -0.047998 logG= -0.057743 Density= 0.431302 ETOT(band)= -0.468283 trlgG= -0.589878 logG= -0.058521 TDE= -0.343306 Density= 0.429311 ETOT(band)= -0.468779 trlgG= -0.588990 logG= -0.057743 TDE= -0.342763 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010576 tlogG= -0.048195 logG= -0.058771 Density= 0.431549 ETOT(band)= -0.468565 trlgG= -0.590873 logG= -0.058771 TDE= -0.343571 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010249 tlogG= -0.047069 logG= -0.057318 Density= 0.430053 ETOT(band)= -0.467310 trlgG= -0.585406 logG= -0.057318 TDE= -0.342147 logGD-logG0= -0.004944 tlogG= -0.021423 logG= -0.026368 Density= 0.217117 ETOT(band)= -0.229573 trlgG= -0.284821 logG= -0.026368 TDE= -0.170143 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009925 tlogG= -0.047706 logG= -0.057631 Density= 0.428767 ETOT(band)= -0.468338 trlgG= -0.587399 logG= -0.057631 TDE= -0.342465 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010173 tlogG= -0.047709 logG= -0.057882 Density= 0.430193 ETOT(band)= -0.467955 trlgG= -0.587341 logG= -0.057882 TDE= -0.342595 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010652 tlogG= -0.047402 logG= -0.058053 Density= 0.430675 ETOT(band)= -0.467924 trlgG= -0.588054 logG= -0.058053 TDE= -0.342814 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001213 tlogG= -0.005486 logG= -0.006699 Density= 0.081234 ETOT(band)= -0.086505 trlgG= -0.107577 logG= -0.006699 TDE= -0.042635 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004795 tlogG= -0.022397 logG= -0.027192 Density= 0.322991 ETOT(band)= -0.348609 trlgG= -0.434879 logG= -0.027192 TDE= -0.170502 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004903 tlogG= -0.021278 logG= -0.026180 Density= 0.216433 ETOT(band)= -0.230443 trlgG= -0.286091 logG= -0.026180 TDE= -0.170049 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009896 tlogG= -0.044755 logG= -0.054651 Density= 0.324422 ETOT(band)= -0.347283 trlgG= -0.432800 logG= -0.054651 TDE= -0.341285 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.022398 logG= -0.027152 Density= 0.215103 ETOT(band)= -0.232375 trlgG= -0.289671 logG= -0.027152 TDE= -0.170508 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009737 tlogG= -0.044766 logG= -0.054503 Density= 0.431773 ETOT(band)= -0.462906 trlgG= -0.575869 logG= -0.054503 TDE= -0.340924 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021953 logG= -0.026988 Density= 0.216721 ETOT(band)= -0.230686 trlgG= -0.287036 logG= -0.026988 TDE= -0.170478 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.403797028944 eV TrLogG= -408.149522187983 eV Ratio to renormalize= 0.999623539915 rho-rho_expected= 0.008285240939 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 77) Finished k-point number 155 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 76) Finished k-point number 154 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964682761223520 0.940461592856098 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001457 tlogG= -0.008043 logG= -0.009501 Density= 0.035295 ETOT(band)= -0.039083 trlgG= -0.049037 logG= -0.009501 TDE= -0.057002 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004479 tlogG= -0.024048 logG= -0.028527 Density= 0.106063 ETOT(band)= -0.117185 trlgG= -0.146984 logG= -0.028527 TDE= -0.170943 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004863 tlogG= -0.022986 logG= -0.027849 Density= 0.106819 ETOT(band)= -0.116508 trlgG= -0.145396 logG= -0.027849 TDE= -0.170406 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.022404 logG= -0.027570 Density= 0.107583 ETOT(band)= -0.115978 trlgG= -0.144629 logG= -0.027570 TDE= -0.170297 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023496 logG= -0.028387 Density= 0.106720 ETOT(band)= -0.116830 trlgG= -0.146145 logG= -0.028387 TDE= -0.170569 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002478 tlogG= -0.010423 logG= -0.012900 Density= 0.054353 ETOT(band)= -0.057078 trlgG= -0.070785 logG= -0.012900 TDE= -0.084781 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001674 tlogG= -0.006989 logG= -0.008664 Density= 0.036179 ETOT(band)= -0.038131 trlgG= -0.047309 logG= -0.008664 TDE= -0.056549 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005054 tlogG= -0.021558 logG= -0.026613 Density= 0.108464 ETOT(band)= -0.114891 trlgG= -0.143008 logG= -0.026613 TDE= -0.170069 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004702 tlogG= -0.024042 logG= -0.028745 logGD-logG0= -0.005107 tlogG= -0.022164 logG= -0.027271 Density= 0.108308 ETOT(band)= -0.115443 trlgG= -0.144140 logG= -0.027271 TDE= -0.170465 Density= 0.106334 ETOT(band)= -0.117173 trlgG= -0.146992 logG= -0.028745 TDE= -0.170867 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023210 logG= -0.028461 Density= 0.108144 ETOT(band)= -0.116215 trlgG= -0.146052 logG= -0.028461 TDE= -0.171106 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.023665 logG= -0.028501 Density= 0.106544 ETOT(band)= -0.116978 trlgG= -0.146574 logG= -0.028501 TDE= -0.170797 logGD-logG0= -0.004865 tlogG= -0.023682 logG= -0.028548 logGD-logG0= -0.005061 tlogG= -0.023889 logG= -0.028950 Density= 0.106704 ETOT(band)= -0.117132 trlgG= -0.147102 logG= -0.028950 TDE= -0.170954 Density= 0.106923 ETOT(band)= -0.116859 trlgG= -0.146678 logG= -0.028548 TDE= -0.171041 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005458 tlogG= -0.023191 logG= -0.028649 Density= 0.107632 ETOT(band)= -0.116559 trlgG= -0.146336 logG= -0.028649 TDE= -0.170949 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000202 tlogG= -0.000852 logG= -0.001054 Density= 0.004541 ETOT(band)= -0.004733 trlgG= -0.005860 logG= -0.001054 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002403 tlogG= -0.011881 logG= -0.014285 Density= 0.053535 ETOT(band)= -0.058409 trlgG= -0.073361 logG= -0.014285 TDE= -0.085568 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002499 tlogG= -0.012080 logG= -0.014579 Density= 0.053558 ETOT(band)= -0.058553 trlgG= -0.073723 logG= -0.014579 TDE= -0.085648 logGD-logG0= -0.002409 tlogG= -0.011446 logG= -0.013855 Density= 0.053711 ETOT(band)= -0.058078 trlgG= -0.072595 logG= -0.013855 TDE= -0.085319 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002681 tlogG= -0.012030 logG= -0.014711 logGD-logG0= -0.001537 tlogG= -0.007810 logG= -0.009348 Density= 0.035474 ETOT(band)= -0.038931 trlgG= -0.048672 logG= -0.009348 TDE= -0.056878 Density= 0.053737 ETOT(band)= -0.058541 trlgG= -0.073779 logG= -0.014711 TDE= -0.085660 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002636 tlogG= -0.011981 logG= -0.014617 Density= 0.054113 ETOT(band)= -0.058302 trlgG= -0.073640 logG= -0.014617 TDE= -0.085801 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002538 tlogG= -0.010839 logG= -0.013377 Density= 0.054038 ETOT(band)= -0.057597 trlgG= -0.071633 logG= -0.013377 TDE= -0.084997 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005304 tlogG= -0.023758 logG= -0.029063 Density= 0.108128 ETOT(band)= -0.116553 trlgG= -0.147006 logG= -0.029063 TDE= -0.171451 logGD-logG0= -0.005300 tlogG= -0.023425 logG= -0.028725 logGD-logG0= -0.004505 tlogG= -0.023971 logG= -0.028476 Density= 0.106115 ETOT(band)= -0.117141 trlgG= -0.146871 logG= -0.028476 TDE= -0.170905 Density= 0.108080 ETOT(band)= -0.116392 trlgG= -0.146471 logG= -0.028725 TDE= -0.171229 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.024067 logG= -0.029503 Density= 0.107592 ETOT(band)= -0.117083 trlgG= -0.147704 logG= -0.029503 TDE= -0.171443 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.022977 logG= -0.028236 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108084 ETOT(band)= -0.116122 trlgG= -0.145697 logG= -0.028236 TDE= -0.170946 logGD-logG0= -0.005018 tlogG= -0.022845 logG= -0.027863 Density= 0.107696 ETOT(band)= -0.116107 trlgG= -0.145115 logG= -0.027863 TDE= -0.170545 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.022451 logG= -0.027642 Density= 0.108152 ETOT(band)= -0.115749 trlgG= -0.144749 logG= -0.027642 TDE= -0.170626 logGD-logG0= -0.004777 tlogG= -0.023202 logG= -0.027979 logGD-logG0= -0.005444 tlogG= -0.023679 logG= -0.029123 Density= 0.106683 ETOT(band)= -0.116639 trlgG= -0.145660 logG= -0.027979 TDE= -0.170474 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005478 tlogG= -0.024128 logG= -0.029607 Density= 0.107760 ETOT(band)= -0.117078 trlgG= -0.147893 logG= -0.029607 TDE= -0.171611 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005445 tlogG= -0.024082 logG= -0.029527 Density= 0.107837 ETOT(band)= -0.116990 trlgG= -0.147766 logG= -0.029527 TDE= -0.171603 logGD-logG0= -0.002705 tlogG= -0.011985 logG= -0.014690 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107180 ETOT(band)= -0.117018 trlgG= -0.147036 logG= -0.029123 TDE= -0.170951 Density= 0.053958 ETOT(band)= -0.058423 trlgG= -0.073762 logG= -0.014690 TDE= -0.085772 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023866 logG= -0.029144 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108199 ETOT(band)= -0.116563 trlgG= -0.147135 logG= -0.029144 TDE= -0.171533 logGD-logG0= -0.005281 tlogG= -0.023600 logG= -0.028881 Density= 0.108154 ETOT(band)= -0.116438 trlgG= -0.146715 logG= -0.028881 TDE= -0.171354 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005468 tlogG= -0.023897 logG= -0.029365 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107701 ETOT(band)= -0.116949 trlgG= -0.147488 logG= -0.029365 TDE= -0.171418 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.022728 logG= -0.027914 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023639 logG= -0.028794 Density= 0.106926 ETOT(band)= -0.116948 trlgG= -0.146487 logG= -0.028794 TDE= -0.170605 Density= 0.108198 ETOT(band)= -0.115886 trlgG= -0.145185 logG= -0.027914 TDE= -0.170812 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.022870 logG= -0.028137 Density= 0.107565 ETOT(band)= -0.116312 trlgG= -0.145527 logG= -0.028137 TDE= -0.170618 logGD-logG0= -0.005386 tlogG= -0.023963 logG= -0.029349 Density= 0.107393 ETOT(band)= -0.117070 trlgG= -0.147431 logG= -0.029349 TDE= -0.171225 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.024088 logG= -0.029239 Density= 0.107328 ETOT(band)= -0.117049 trlgG= -0.147328 logG= -0.029239 TDE= -0.171200 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.024065 logG= -0.029103 Density= 0.107004 ETOT(band)= -0.117112 trlgG= -0.147355 logG= -0.029103 TDE= -0.171203 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004895 tlogG= -0.022848 logG= -0.027743 Density= 0.107245 ETOT(band)= -0.116253 trlgG= -0.145243 logG= -0.027743 TDE= -0.170570 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023865 logG= -0.029295 Density= 0.107865 ETOT(band)= -0.116816 trlgG= -0.147380 logG= -0.029295 TDE= -0.171462 logGD-logG0= -0.010099 tlogG= -0.048236 logG= -0.058335 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214299 ETOT(band)= -0.234181 trlgG= -0.294784 logG= -0.058335 TDE= -0.342495 logGD-logG0= -0.009780 tlogG= -0.045752 logG= -0.055532 logGD-logG0= -0.005467 tlogG= -0.023575 logG= -0.029042 Density= 0.214915 ETOT(band)= -0.232338 trlgG= -0.290386 logG= -0.055532 TDE= -0.341205 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107749 ETOT(band)= -0.116720 trlgG= -0.146965 logG= -0.029042 TDE= -0.171243 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009965 tlogG= -0.047151 logG= -0.057116 Density= 0.213662 ETOT(band)= -0.233777 trlgG= -0.293209 logG= -0.057116 TDE= -0.341824 logGD-logG0= -0.010060 tlogG= -0.045582 logG= -0.055642 Density= 0.214259 ETOT(band)= -0.232690 trlgG= -0.290565 logG= -0.055642 TDE= -0.340949 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009853 tlogG= -0.047924 logG= -0.057777 Density= 0.213167 ETOT(band)= -0.234287 trlgG= -0.293928 logG= -0.057777 TDE= -0.341637 logGD-logG0= -0.010245 tlogG= -0.047892 logG= -0.058138 Density= 0.213865 ETOT(band)= -0.234221 trlgG= -0.294474 logG= -0.058138 TDE= -0.342167 logGD-logG0= -0.010820 tlogG= -0.047739 logG= -0.058558 Density= 0.214656 ETOT(band)= -0.234103 trlgG= -0.294615 logG= -0.058558 TDE= -0.342279 logGD-logG0= -0.010774 tlogG= -0.048073 logG= -0.058847 Density= 0.214970 ETOT(band)= -0.234155 trlgG= -0.295125 logG= -0.058847 TDE= -0.342655 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010124 tlogG= -0.047148 logG= -0.057272 Density= 0.213673 ETOT(band)= -0.233821 trlgG= -0.293001 logG= -0.057272 TDE= -0.341465 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009736 tlogG= -0.047439 logG= -0.057176 Density= 0.214208 ETOT(band)= -0.233606 trlgG= -0.293338 logG= -0.057176 TDE= -0.342163 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010685 tlogG= -0.047779 logG= -0.058463 logGD-logG0= -0.010856 tlogG= -0.048007 logG= -0.058863 Density= 0.215007 ETOT(band)= -0.234146 trlgG= -0.295152 logG= -0.058863 TDE= -0.342686 logGD-logG0= -0.010623 tlogG= -0.047971 logG= -0.058594 Density= 0.214555 ETOT(band)= -0.234097 trlgG= -0.294447 logG= -0.058463 TDE= -0.342156 Density= 0.214973 ETOT(band)= -0.234010 trlgG= -0.294709 logG= -0.058594 TDE= -0.342494 logGD-logG0= -0.010486 tlogG= -0.047652 logG= -0.058138 logGD-logG0= -0.010165 tlogG= -0.045641 logG= -0.055805 Density= 0.215047 ETOT(band)= -0.232413 trlgG= -0.290377 logG= -0.055805 TDE= -0.340988 Density= 0.213846 ETOT(band)= -0.234208 trlgG= -0.294226 logG= -0.058138 TDE= -0.341910 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009422 tlogG= -0.047625 logG= -0.057047 Density= 0.212819 ETOT(band)= -0.234079 trlgG= -0.293286 logG= -0.057047 TDE= -0.341552 logGD-logG0= -0.001740 tlogG= -0.007303 logG= -0.009044 logGD-logG0= -0.005291 tlogG= -0.023945 logG= -0.029236 logGD-logG0= -0.010711 tlogG= -0.047301 logG= -0.058013 Density= 0.108179 ETOT(band)= -0.116628 trlgG= -0.147284 logG= -0.029236 TDE= -0.171581 Density= 0.214159 ETOT(band)= -0.233999 trlgG= -0.293699 logG= -0.058013 TDE= -0.341663 logGD-logG0= -0.010479 tlogG= -0.046404 logG= -0.056883 Density= 0.215114 ETOT(band)= -0.232975 trlgG= -0.292009 logG= -0.056883 TDE= -0.341576 logGD-logG0= -0.010876 tlogG= -0.047413 logG= -0.058289 logGD-logG0= -0.010918 tlogG= -0.046870 logG= -0.057788 logGD-logG0= -0.010835 tlogG= -0.047932 logG= -0.058767 Density= 0.215797 ETOT(band)= -0.233715 trlgG= -0.295054 logG= -0.058767 TDE= -0.343074 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215368 ETOT(band)= -0.233641 trlgG= -0.294253 logG= -0.058289 TDE= -0.342539 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010910 tlogG= -0.047519 logG= -0.058429 Density= 0.215601 ETOT(band)= -0.233599 trlgG= -0.294492 logG= -0.058429 TDE= -0.342753 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035826 ETOT(band)= -0.038581 trlgG= -0.047972 logG= -0.009044 TDE= -0.056656 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215329 ETOT(band)= -0.233364 trlgG= -0.293452 logG= -0.057788 TDE= -0.342219 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010969 tlogG= -0.048137 logG= -0.059106 Density= 0.215324 ETOT(band)= -0.234171 trlgG= -0.295589 logG= -0.059106 TDE= -0.343036 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004987 tlogG= -0.023684 logG= -0.028670 Density= 0.107327 ETOT(band)= -0.116738 trlgG= -0.146586 logG= -0.028670 TDE= -0.171026 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010890 tlogG= -0.047881 logG= -0.058771 Density= 0.215669 ETOT(band)= -0.233788 trlgG= -0.295057 logG= -0.058771 TDE= -0.343010 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010391 tlogG= -0.047144 logG= -0.057535 logGD-logG0= -0.010091 tlogG= -0.047216 logG= -0.057307 Density= 0.214374 ETOT(band)= -0.233566 trlgG= -0.293110 logG= -0.057307 TDE= -0.341886 Density= 0.215050 ETOT(band)= -0.233376 trlgG= -0.293028 logG= -0.057535 TDE= -0.341910 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.021869 logG= -0.027010 Density= 0.108273 ETOT(band)= -0.115258 trlgG= -0.143689 logG= -0.027010 TDE= -0.170258 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.020983 logG= -0.025956 Density= 0.108660 ETOT(band)= -0.114303 trlgG= -0.141850 logG= -0.025956 TDE= -0.169665 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005221 tlogG= -0.021813 logG= -0.027034 Density= 0.107737 ETOT(band)= -0.115549 trlgG= -0.143752 logG= -0.027034 TDE= -0.170032 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005161 tlogG= -0.021690 logG= -0.026851 Density= 0.107881 ETOT(band)= -0.115356 trlgG= -0.143442 logG= -0.026851 TDE= -0.169976 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010315 tlogG= -0.043380 logG= -0.053696 Density= 0.216176 ETOT(band)= -0.230500 trlgG= -0.286859 logG= -0.053696 TDE= -0.340138 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005419 tlogG= -0.024054 logG= -0.029472 Density= 0.107897 ETOT(band)= -0.116922 trlgG= -0.147677 logG= -0.029472 TDE= -0.171597 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004453 tlogG= -0.024128 logG= -0.028581 Density= 0.212063 ETOT(band)= -0.234421 trlgG= -0.294093 logG= -0.028581 TDE= -0.170981 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001223 tlogG= -0.005170 logG= -0.006393 Density= 0.062510 ETOT(band)= -0.067556 trlgG= -0.084322 logG= -0.006393 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004755 tlogG= -0.023887 logG= -0.028642 Density= 0.213176 ETOT(band)= -0.233904 trlgG= -0.292894 logG= -0.028642 TDE= -0.170786 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.022902 logG= -0.028019 Density= 0.214694 ETOT(band)= -0.232437 trlgG= -0.290078 logG= -0.028019 TDE= -0.170434 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001743 tlogG= -0.007115 logG= -0.008857 Density= 0.072196 ETOT(band)= -0.076490 trlgG= -0.094967 logG= -0.008857 TDE= -0.056623 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005097 tlogG= -0.022288 logG= -0.027384 Density= 0.214156 ETOT(band)= -0.232480 trlgG= -0.289833 logG= -0.027384 TDE= -0.170169 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001242 tlogG= -0.005305 logG= -0.006547 Density= 0.081521 ETOT(band)= -0.085697 trlgG= -0.106350 logG= -0.006547 TDE= -0.042461 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010368 tlogG= -0.048021 logG= -0.058389 Density= 0.214430 ETOT(band)= -0.234127 trlgG= -0.294532 logG= -0.058389 TDE= -0.342254 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005228 tlogG= -0.021874 logG= -0.027102 Density= 0.216527 ETOT(band)= -0.230317 trlgG= -0.286862 logG= -0.027102 TDE= -0.170227 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005268 tlogG= -0.022434 logG= -0.027702 logGD-logG0= -0.004730 tlogG= -0.023969 logG= -0.028699 Density= 0.212702 ETOT(band)= -0.234315 trlgG= -0.293891 logG= -0.028699 TDE= -0.170835 Density= 0.216270 ETOT(band)= -0.231316 trlgG= -0.288985 logG= -0.027702 TDE= -0.170567 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023410 logG= -0.028767 Density= 0.216099 ETOT(band)= -0.232687 trlgG= -0.292587 logG= -0.028767 TDE= -0.171189 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023832 logG= -0.028819 logGD-logG0= -0.004934 tlogG= -0.023240 logG= -0.028174 Density= 0.213393 ETOT(band)= -0.233656 trlgG= -0.292621 logG= -0.028174 TDE= -0.170747 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213469 ETOT(band)= -0.234189 trlgG= -0.294140 logG= -0.028819 TDE= -0.171051 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023366 logG= -0.028169 Density= 0.214080 ETOT(band)= -0.233412 trlgG= -0.292731 logG= -0.028169 TDE= -0.170911 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005587 tlogG= -0.023350 logG= -0.028937 Density= 0.215006 ETOT(band)= -0.233388 trlgG= -0.293103 logG= -0.028937 TDE= -0.170964 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001315 tlogG= -0.005938 logG= -0.007252 Density= 0.080794 ETOT(band)= -0.087659 trlgG= -0.110509 logG= -0.007252 TDE= -0.042866 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005618 logG= -0.006893 Density= 0.080799 ETOT(band)= -0.086981 trlgG= -0.108753 logG= -0.006893 TDE= -0.042670 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001296 tlogG= -0.005746 logG= -0.007042 Density= 0.080598 ETOT(band)= -0.087410 trlgG= -0.109758 logG= -0.007042 TDE= -0.042747 logGD-logG0= -0.001310 tlogG= -0.005854 logG= -0.007164 Density= 0.080610 ETOT(band)= -0.087625 trlgG= -0.110313 logG= -0.007164 TDE= -0.042812 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.023996 logG= -0.029371 logGD-logG0= -0.001484 tlogG= -0.007964 logG= -0.009448 Density= 0.070831 ETOT(band)= -0.077965 trlgG= -0.097587 logG= -0.009448 TDE= -0.056963 Density= 0.215587 ETOT(band)= -0.233889 trlgG= -0.295212 logG= -0.029371 TDE= -0.171579 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005466 logG= -0.006728 Density= 0.081162 ETOT(band)= -0.086366 trlgG= -0.107511 logG= -0.006728 TDE= -0.042573 logGD-logG0= -0.001313 tlogG= -0.005982 logG= -0.007296 Density= 0.081024 ETOT(band)= -0.087561 trlgG= -0.110560 logG= -0.007296 TDE= -0.042896 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.023794 logG= -0.029203 Density= 0.215234 ETOT(band)= -0.233796 trlgG= -0.294559 logG= -0.029203 TDE= -0.171426 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023953 logG= -0.029183 logGD-logG0= -0.005469 tlogG= -0.024117 logG= -0.029586 Density= 0.215619 ETOT(band)= -0.234045 trlgG= -0.295629 logG= -0.029586 TDE= -0.171611 Density= 0.214238 ETOT(band)= -0.234132 trlgG= -0.294307 logG= -0.029183 TDE= -0.171066 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023951 logG= -0.029282 Density= 0.216291 ETOT(band)= -0.233263 trlgG= -0.294497 logG= -0.029282 TDE= -0.171569 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023737 logG= -0.028321 logGD-logG0= -0.004924 tlogG= -0.024002 logG= -0.028926 logGD-logG0= -0.005196 tlogG= -0.024158 logG= -0.029354 Density= 0.322290 ETOT(band)= -0.351273 trlgG= -0.442605 logG= -0.029354 TDE= -0.171233 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321412 ETOT(band)= -0.351165 trlgG= -0.441933 logG= -0.028926 TDE= -0.171228 Density= 0.212980 ETOT(band)= -0.233629 trlgG= -0.292163 logG= -0.028321 TDE= -0.170783 logGD-logG0= -0.004640 tlogG= -0.023583 logG= -0.028223 Density= 0.212511 ETOT(band)= -0.234038 trlgG= -0.293141 logG= -0.028223 TDE= -0.170698 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.022962 logG= -0.028293 logGD-logG0= -0.005350 tlogG= -0.023757 logG= -0.029107 logGD-logG0= -0.010704 tlogG= -0.047776 logG= -0.058481 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216180 ETOT(band)= -0.233066 trlgG= -0.293794 logG= -0.029107 TDE= -0.171428 Density= 0.324203 ETOT(band)= -0.349957 trlgG= -0.441594 logG= -0.058481 TDE= -0.343032 Density= 0.216125 ETOT(band)= -0.232114 trlgG= -0.290972 logG= -0.028293 TDE= -0.170902 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.023879 logG= -0.028948 Density= 0.213684 ETOT(band)= -0.234049 trlgG= -0.293401 logG= -0.028948 TDE= -0.170795 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010994 tlogG= -0.048031 logG= -0.059024 logGD-logG0= -0.001630 tlogG= -0.006872 logG= -0.008502 Density= 0.323098 ETOT(band)= -0.351035 trlgG= -0.442949 logG= -0.059024 TDE= -0.343026 logGD-logG0= -0.005170 tlogG= -0.024153 logG= -0.029323 Density= 0.214640 ETOT(band)= -0.234203 trlgG= -0.294920 logG= -0.029323 TDE= -0.171238 logGD-logG0= -0.004834 tlogG= -0.023363 logG= -0.028197 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321481 ETOT(band)= -0.350117 trlgG= -0.439353 logG= -0.028197 TDE= -0.170902 logGD-logG0= -0.005401 tlogG= -0.024079 logG= -0.029480 Density= 0.322912 ETOT(band)= -0.351244 trlgG= -0.443254 logG= -0.029480 TDE= -0.171425 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040830 ETOT(band)= -0.042678 trlgG= -0.052867 logG= -0.008502 TDE= -0.056463 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009984 tlogG= -0.046596 logG= -0.056580 Density= 0.322553 ETOT(band)= -0.349067 trlgG= -0.436987 logG= -0.056580 TDE= -0.341614 logGD-logG0= -0.010751 tlogG= -0.047225 logG= -0.057977 logGD-logG0= -0.010476 tlogG= -0.045620 logG= -0.056096 Density= 0.323894 ETOT(band)= -0.347994 trlgG= -0.435543 logG= -0.056096 TDE= -0.341458 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323984 ETOT(band)= -0.349591 trlgG= -0.440248 logG= -0.057977 TDE= -0.342640 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005180 tlogG= -0.023240 logG= -0.028419 Density= 0.321549 ETOT(band)= -0.350622 trlgG= -0.440204 logG= -0.028419 TDE= -0.170855 logGD-logG0= -0.004892 tlogG= -0.024003 logG= -0.028894 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214018 ETOT(band)= -0.234125 trlgG= -0.294527 logG= -0.028894 TDE= -0.171233 logGD-logG0= -0.005517 tlogG= -0.023893 logG= -0.029410 Density= 0.215546 ETOT(band)= -0.233791 trlgG= -0.294939 logG= -0.029410 TDE= -0.171435 logGD-logG0= -0.005402 tlogG= -0.023478 logG= -0.028880 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215114 ETOT(band)= -0.233362 trlgG= -0.293296 logG= -0.028880 TDE= -0.171169 logGD-logG0= -0.005337 tlogG= -0.023994 logG= -0.029332 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216257 ETOT(band)= -0.233367 trlgG= -0.294730 logG= -0.029332 TDE= -0.171596 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010750 tlogG= -0.046404 logG= -0.057154 logGD-logG0= -0.005320 tlogG= -0.023191 logG= -0.028511 Density= 0.214766 ETOT(band)= -0.232990 trlgG= -0.291609 logG= -0.028511 TDE= -0.170620 Density= 0.323847 ETOT(band)= -0.348937 trlgG= -0.438163 logG= -0.057154 TDE= -0.342083 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005501 tlogG= -0.023953 logG= -0.029454 Density= 0.323512 ETOT(band)= -0.350705 trlgG= -0.442688 logG= -0.029454 TDE= -0.171483 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005565 tlogG= -0.023679 logG= -0.029244 Density= 0.215308 ETOT(band)= -0.233644 trlgG= -0.294242 logG= -0.029244 TDE= -0.171257 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.046706 logG= -0.056455 logGD-logG0= -0.001622 tlogG= -0.007587 logG= -0.009209 Density= 0.427683 ETOT(band)= -0.466209 trlgG= -0.582632 logG= -0.056455 TDE= -0.341224 logGD-logG0= -0.005055 tlogG= -0.021295 logG= -0.026350 Density= 0.162574 ETOT(band)= -0.173007 trlgG= -0.216199 logG= -0.026350 TDE= -0.169881 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071462 ETOT(band)= -0.077360 trlgG= -0.096285 logG= -0.009209 TDE= -0.056739 logGD-logG0= -0.009945 tlogG= -0.047831 logG= -0.057776 Density= 0.427830 ETOT(band)= -0.468234 trlgG= -0.588640 logG= -0.057776 TDE= -0.342271 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010447 tlogG= -0.048140 logG= -0.058588 Density= 0.429097 ETOT(band)= -0.468340 trlgG= -0.589403 logG= -0.058588 TDE= -0.342317 logGD-logG0= -0.010559 tlogG= -0.047660 logG= -0.058219 Density= 0.428085 ETOT(band)= -0.468216 trlgG= -0.587968 logG= -0.058219 TDE= -0.341911 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010958 tlogG= -0.047720 logG= -0.058678 Density= 0.430550 ETOT(band)= -0.467591 trlgG= -0.589120 logG= -0.058678 TDE= -0.342672 logGD-logG0= -0.010617 tlogG= -0.047948 logG= -0.058565 logGD-logG0= -0.009804 tlogG= -0.046599 logG= -0.056403 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427889 ETOT(band)= -0.466931 trlgG= -0.585242 logG= -0.056403 TDE= -0.341640 Density= 0.429000 ETOT(band)= -0.468302 trlgG= -0.589048 logG= -0.058565 TDE= -0.342155 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010580 tlogG= -0.048213 logG= -0.058793 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429835 ETOT(band)= -0.468342 trlgG= -0.590168 logG= -0.058793 TDE= -0.342530 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.047643 logG= -0.057597 Density= 0.426461 ETOT(band)= -0.468452 trlgG= -0.587778 logG= -0.057597 TDE= -0.341802 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011060 tlogG= -0.047683 logG= -0.058743 Density= 0.430893 ETOT(band)= -0.467533 trlgG= -0.589477 logG= -0.058743 TDE= -0.342778 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010791 tlogG= -0.048062 logG= -0.058853 Density= 0.429942 ETOT(band)= -0.468171 trlgG= -0.589839 logG= -0.058853 TDE= -0.342655 logGD-logG0= -0.009907 tlogG= -0.047762 logG= -0.057670 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426966 ETOT(band)= -0.468000 trlgG= -0.586626 logG= -0.057670 TDE= -0.341504 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.046922 logG= -0.057540 Density= 0.429676 ETOT(band)= -0.466546 trlgG= -0.584996 logG= -0.057540 TDE= -0.341623 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010984 tlogG= -0.048009 logG= -0.058993 Density= 0.431134 ETOT(band)= -0.467815 trlgG= -0.590471 logG= -0.058993 TDE= -0.343043 logGD-logG0= -0.010233 tlogG= -0.046392 logG= -0.056625 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429325 ETOT(band)= -0.465632 trlgG= -0.582301 logG= -0.056625 TDE= -0.341335 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011017 tlogG= -0.047259 logG= -0.058276 Density= 0.430279 ETOT(band)= -0.467168 trlgG= -0.587647 logG= -0.058276 TDE= -0.342288 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.047551 logG= -0.057852 Density= 0.428402 ETOT(band)= -0.467559 trlgG= -0.587006 logG= -0.057852 TDE= -0.341956 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010543 tlogG= -0.047561 logG= -0.058104 Density= 0.429807 ETOT(band)= -0.467192 trlgG= -0.586927 logG= -0.058104 TDE= -0.342068 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009263 tlogG= -0.048089 logG= -0.057352 Density= 0.425320 ETOT(band)= -0.468430 trlgG= -0.587267 logG= -0.057352 TDE= -0.341786 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.022323 logG= -0.027306 Density= 0.322719 ETOT(band)= -0.348035 trlgG= -0.434594 logG= -0.027306 TDE= -0.170250 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010265 tlogG= -0.044613 logG= -0.054878 Density= 0.324136 ETOT(band)= -0.346724 trlgG= -0.432527 logG= -0.054878 TDE= -0.340780 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004943 tlogG= -0.022322 logG= -0.027265 logGD-logG0= -0.005226 tlogG= -0.023840 logG= -0.029067 Density= 0.215396 ETOT(band)= -0.233791 trlgG= -0.294662 logG= -0.029067 TDE= -0.171114 Density= 0.214926 ETOT(band)= -0.231989 trlgG= -0.289478 logG= -0.027265 TDE= -0.170256 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005065 tlogG= -0.022470 logG= -0.027535 Density= 0.214920 ETOT(band)= -0.231700 trlgG= -0.288430 logG= -0.027535 TDE= -0.170182 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.021345 logG= -0.026483 Density= 0.216921 ETOT(band)= -0.229207 trlgG= -0.284655 logG= -0.026483 TDE= -0.169895 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.021200 logG= -0.026296 Density= 0.216245 ETOT(band)= -0.230070 trlgG= -0.285915 logG= -0.026296 TDE= -0.169801 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010113 tlogG= -0.044616 logG= -0.054729 Density= 0.431404 ETOT(band)= -0.462150 trlgG= -0.575501 logG= -0.054729 TDE= -0.340420 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010120 tlogG= -0.047845 logG= -0.057964 Density= 0.428932 ETOT(band)= -0.468005 trlgG= -0.588608 logG= -0.057964 TDE= -0.342257 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.869864617569 eV TrLogG= -407.743347304214 eV Ratio to renormalize= 1.000504288583 rho-rho_expected=-0.011088756892 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964707130652025 0.940535238631897 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002402 tlogG= -0.011888 logG= -0.014290 Density= 0.053539 ETOT(band)= -0.058422 trlgG= -0.073380 logG= -0.014290 TDE= -0.085584 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002408 tlogG= -0.011452 logG= -0.013860 Density= 0.053714 ETOT(band)= -0.058090 trlgG= -0.072613 logG= -0.013860 TDE= -0.085334 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.022177 logG= -0.027279 Density= 0.108317 ETOT(band)= -0.115467 trlgG= -0.144175 logG= -0.027279 TDE= -0.170496 logGD-logG0= -0.004702 tlogG= -0.024053 logG= -0.028755 Density= 0.106341 ETOT(band)= -0.117199 trlgG= -0.147030 logG= -0.028755 TDE= -0.170898 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023692 logG= -0.029133 Density= 0.107187 ETOT(band)= -0.117043 trlgG= -0.147075 logG= -0.029133 TDE= -0.170984 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023224 logG= -0.028470 Density= 0.108152 ETOT(band)= -0.116239 trlgG= -0.146088 logG= -0.028470 TDE= -0.171137 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005456 tlogG= -0.023202 logG= -0.028658 Density= 0.107640 ETOT(band)= -0.116584 trlgG= -0.146374 logG= -0.028658 TDE= -0.170981 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.022860 logG= -0.027752 Density= 0.107252 ETOT(band)= -0.116278 trlgG= -0.145280 logG= -0.027752 TDE= -0.170601 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000202 tlogG= -0.000853 logG= -0.001055 Density= 0.004541 ETOT(band)= -0.004734 trlgG= -0.005861 logG= -0.001055 TDE= -0.007054 logGD-logG0= -0.002679 tlogG= -0.012036 logG= -0.014715 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053741 ETOT(band)= -0.058553 trlgG= -0.073798 logG= -0.014715 TDE= -0.085677 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002497 tlogG= -0.012086 logG= -0.014584 Density= 0.053562 ETOT(band)= -0.058566 trlgG= -0.073742 logG= -0.014584 TDE= -0.085663 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001537 tlogG= -0.007814 logG= -0.009351 Density= 0.035476 ETOT(band)= -0.038940 trlgG= -0.048684 logG= -0.009351 TDE= -0.056889 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001457 tlogG= -0.008047 logG= -0.009504 Density= 0.035296 ETOT(band)= -0.039092 trlgG= -0.049050 logG= -0.009504 TDE= -0.057013 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.023439 logG= -0.028734 Density= 0.108089 ETOT(band)= -0.116416 trlgG= -0.146507 logG= -0.028734 TDE= -0.171262 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002633 tlogG= -0.011988 logG= -0.014621 Density= 0.054117 ETOT(band)= -0.058313 trlgG= -0.073658 logG= -0.014621 TDE= -0.085817 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.022991 logG= -0.028244 Density= 0.108093 ETOT(band)= -0.116146 trlgG= -0.145733 logG= -0.028244 TDE= -0.170978 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.024078 logG= -0.029512 Density= 0.107600 ETOT(band)= -0.117108 trlgG= -0.147742 logG= -0.029512 TDE= -0.171476 logGD-logG0= -0.005286 tlogG= -0.023959 logG= -0.029245 Density= 0.108188 ETOT(band)= -0.116651 trlgG= -0.147321 logG= -0.029245 TDE= -0.171613 logGD-logG0= -0.005186 tlogG= -0.022465 logG= -0.027651 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108161 ETOT(band)= -0.115773 trlgG= -0.144785 logG= -0.027651 TDE= -0.170657 logGD-logG0= -0.004775 tlogG= -0.023213 logG= -0.027988 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106689 ETOT(band)= -0.116665 trlgG= -0.145698 logG= -0.027988 TDE= -0.170505 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002702 tlogG= -0.011993 logG= -0.014695 Density= 0.053962 ETOT(band)= -0.058435 trlgG= -0.073780 logG= -0.014695 TDE= -0.085789 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005439 tlogG= -0.024097 logG= -0.029536 Density= 0.107846 ETOT(band)= -0.117014 trlgG= -0.147804 logG= -0.029536 TDE= -0.171636 logGD-logG0= -0.005383 tlogG= -0.023975 logG= -0.029358 logGD-logG0= -0.005181 tlogG= -0.022742 logG= -0.027923 logGD-logG0= -0.005276 tlogG= -0.023614 logG= -0.028890 Density= 0.108162 ETOT(band)= -0.116462 trlgG= -0.146751 logG= -0.028890 TDE= -0.171386 logGD-logG0= -0.004835 tlogG= -0.023676 logG= -0.028511 Density= 0.106551 ETOT(band)= -0.117004 trlgG= -0.146613 logG= -0.028511 TDE= -0.170829 Density= 0.107401 ETOT(band)= -0.117094 trlgG= -0.147469 logG= -0.029358 TDE= -0.171258 Density= 0.108206 ETOT(band)= -0.115910 trlgG= -0.145221 logG= -0.027923 TDE= -0.170844 logGD-logG0= -0.005155 tlogG= -0.023649 logG= -0.028803 Density= 0.106933 ETOT(band)= -0.116973 trlgG= -0.146525 logG= -0.028803 TDE= -0.170638 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023880 logG= -0.029153 logGD-logG0= -0.005473 tlogG= -0.024143 logG= -0.029616 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108209 ETOT(band)= -0.116587 trlgG= -0.147172 logG= -0.029153 TDE= -0.171566 Density= 0.107769 ETOT(band)= -0.117103 trlgG= -0.147931 logG= -0.029616 TDE= -0.171644 logGD-logG0= -0.004862 tlogG= -0.023695 logG= -0.028557 logGD-logG0= -0.004861 tlogG= -0.022997 logG= -0.027858 Density= 0.106825 ETOT(band)= -0.116533 trlgG= -0.145433 logG= -0.027858 TDE= -0.170438 Density= 0.106930 ETOT(band)= -0.116885 trlgG= -0.146716 logG= -0.028557 TDE= -0.171073 logGD-logG0= -0.005264 tlogG= -0.022882 logG= -0.028146 Density= 0.107572 ETOT(band)= -0.116336 trlgG= -0.145564 logG= -0.028146 TDE= -0.170650 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.024078 logG= -0.029113 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107012 ETOT(band)= -0.117137 trlgG= -0.147393 logG= -0.029113 TDE= -0.171235 logGD-logG0= -0.005061 tlogG= -0.023899 logG= -0.028960 Density= 0.106711 ETOT(band)= -0.117157 trlgG= -0.147140 logG= -0.028960 TDE= -0.170986 logGD-logG0= -0.004889 tlogG= -0.023507 logG= -0.028396 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106727 ETOT(band)= -0.116856 trlgG= -0.146182 logG= -0.028396 TDE= -0.170600 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009773 tlogG= -0.045776 logG= -0.055550 Density= 0.214929 ETOT(band)= -0.232388 trlgG= -0.290459 logG= -0.055550 TDE= -0.341267 logGD-logG0= -0.010093 tlogG= -0.048261 logG= -0.058354 Density= 0.214314 ETOT(band)= -0.234231 trlgG= -0.294859 logG= -0.058354 TDE= -0.342558 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009958 tlogG= -0.047177 logG= -0.057135 Density= 0.213675 ETOT(band)= -0.233829 trlgG= -0.293285 logG= -0.057135 TDE= -0.341888 logGD-logG0= -0.010239 tlogG= -0.047918 logG= -0.058157 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002536 tlogG= -0.010845 logG= -0.013381 Density= 0.213880 ETOT(band)= -0.234272 trlgG= -0.294549 logG= -0.058157 TDE= -0.342231 Density= 0.054042 ETOT(band)= -0.057609 trlgG= -0.071651 logG= -0.013381 TDE= -0.085013 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001295 tlogG= -0.005750 logG= -0.007044 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080603 ETOT(band)= -0.087429 trlgG= -0.109785 logG= -0.007044 TDE= -0.042755 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010814 tlogG= -0.047763 logG= -0.058577 Density= 0.214672 ETOT(band)= -0.234153 trlgG= -0.294692 logG= -0.058577 TDE= -0.342345 logGD-logG0= -0.010769 tlogG= -0.048097 logG= -0.058866 Density= 0.214987 ETOT(band)= -0.234205 trlgG= -0.295201 logG= -0.058866 TDE= -0.342721 logGD-logG0= -0.009420 tlogG= -0.047646 logG= -0.057066 Density= 0.212831 ETOT(band)= -0.234132 trlgG= -0.293361 logG= -0.057066 TDE= -0.341614 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010053 tlogG= -0.045607 logG= -0.055660 Density= 0.214272 ETOT(band)= -0.232741 trlgG= -0.290640 logG= -0.055660 TDE= -0.341012 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005424 tlogG= -0.023880 logG= -0.029304 Density= 0.107874 ETOT(band)= -0.116840 trlgG= -0.147417 logG= -0.029304 TDE= -0.171495 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005462 tlogG= -0.023589 logG= -0.029051 Density= 0.107758 ETOT(band)= -0.116744 trlgG= -0.147003 logG= -0.029051 TDE= -0.171276 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009730 tlogG= -0.047464 logG= -0.057194 logGD-logG0= -0.005015 tlogG= -0.022857 logG= -0.027872 Density= 0.107704 ETOT(band)= -0.116131 trlgG= -0.145151 logG= -0.027872 TDE= -0.170577 Density= 0.214222 ETOT(band)= -0.233657 trlgG= -0.293412 logG= -0.057194 TDE= -0.342226 logGD-logG0= -0.004984 tlogG= -0.023696 logG= -0.028680 Density= 0.107334 ETOT(band)= -0.116763 trlgG= -0.146622 logG= -0.028680 TDE= -0.171057 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005466 tlogG= -0.023909 logG= -0.029375 Density= 0.107710 ETOT(band)= -0.116973 trlgG= -0.147526 logG= -0.029375 TDE= -0.171451 logGD-logG0= -0.001274 tlogG= -0.005621 logG= -0.006895 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080805 ETOT(band)= -0.086999 trlgG= -0.108780 logG= -0.006895 TDE= -0.042678 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005413 tlogG= -0.024068 logG= -0.029481 Density= 0.107906 ETOT(band)= -0.116946 trlgG= -0.147714 logG= -0.029481 TDE= -0.171630 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.047995 logG= -0.058613 logGD-logG0= -0.010159 tlogG= -0.045665 logG= -0.055823 Density= 0.214989 ETOT(band)= -0.234060 trlgG= -0.294785 logG= -0.058613 TDE= -0.342559 Density= 0.215062 ETOT(band)= -0.232463 trlgG= -0.290450 logG= -0.055823 TDE= -0.341050 logGD-logG0= -0.010914 tlogG= -0.046893 logG= -0.057807 logGD-logG0= -0.010824 tlogG= -0.047961 logG= -0.058785 Density= 0.215815 ETOT(band)= -0.233763 trlgG= -0.295128 logG= -0.058785 TDE= -0.343139 logGD-logG0= -0.001740 tlogG= -0.007307 logG= -0.009047 Density= 0.035829 ETOT(band)= -0.038589 trlgG= -0.047984 logG= -0.009047 TDE= -0.056667 Density= 0.215346 ETOT(band)= -0.233413 trlgG= -0.293527 logG= -0.057807 TDE= -0.342284 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010709 tlogG= -0.047322 logG= -0.058031 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214174 ETOT(band)= -0.234049 trlgG= -0.293775 logG= -0.058031 TDE= -0.341728 logGD-logG0= -0.001673 tlogG= -0.006994 logG= -0.008666 logGD-logG0= -0.010964 tlogG= -0.048161 logG= -0.059125 logGD-logG0= -0.010899 tlogG= -0.047548 logG= -0.058447 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215341 ETOT(band)= -0.234220 trlgG= -0.295665 logG= -0.059125 TDE= -0.343102 Density= 0.215618 ETOT(band)= -0.233648 trlgG= -0.294567 logG= -0.058447 TDE= -0.342818 logGD-logG0= -0.010474 tlogG= -0.046427 logG= -0.056901 Density= 0.215130 ETOT(band)= -0.233024 trlgG= -0.292084 logG= -0.056901 TDE= -0.341640 Density= 0.036182 ETOT(band)= -0.038139 trlgG= -0.047321 logG= -0.008666 TDE= -0.056559 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004504 tlogG= -0.023982 logG= -0.028486 Density= 0.106120 ETOT(band)= -0.117168 trlgG= -0.146909 logG= -0.028486 TDE= -0.170936 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.022447 logG= -0.027711 Density= 0.216285 ETOT(band)= -0.231365 trlgG= -0.289057 logG= -0.027711 TDE= -0.170599 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023965 logG= -0.029192 Density= 0.214253 ETOT(band)= -0.234183 trlgG= -0.294383 logG= -0.029192 TDE= -0.171097 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.021571 logG= -0.026621 logGD-logG0= -0.005352 tlogG= -0.023424 logG= -0.028776 Density= 0.216116 ETOT(band)= -0.232735 trlgG= -0.292660 logG= -0.028776 TDE= -0.171221 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108472 ETOT(band)= -0.114915 trlgG= -0.143044 logG= -0.026621 TDE= -0.170100 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005585 tlogG= -0.023361 logG= -0.028946 Density= 0.215022 ETOT(band)= -0.233437 trlgG= -0.293178 logG= -0.028946 TDE= -0.170997 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002475 tlogG= -0.010429 logG= -0.012904 Density= 0.054357 ETOT(band)= -0.057090 trlgG= -0.070802 logG= -0.012904 TDE= -0.084797 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004968 tlogG= -0.020996 logG= -0.025964 Density= 0.108669 ETOT(band)= -0.114326 trlgG= -0.141885 logG= -0.025964 TDE= -0.169696 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005217 tlogG= -0.021825 logG= -0.027043 Density= 0.107745 ETOT(band)= -0.115574 trlgG= -0.143789 logG= -0.027043 TDE= -0.170064 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004477 tlogG= -0.024059 logG= -0.028537 Density= 0.106068 ETOT(band)= -0.117212 trlgG= -0.147023 logG= -0.028537 TDE= -0.170974 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.021702 logG= -0.026859 Density= 0.107888 ETOT(band)= -0.115381 trlgG= -0.143478 logG= -0.026859 TDE= -0.170007 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010123 tlogG= -0.047168 logG= -0.057291 Density= 0.213687 ETOT(band)= -0.233872 trlgG= -0.293076 logG= -0.057291 TDE= -0.341528 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.021882 logG= -0.027018 Density= 0.108281 ETOT(band)= -0.115283 trlgG= -0.143725 logG= -0.027018 TDE= -0.170289 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010309 tlogG= -0.043404 logG= -0.053713 Density= 0.216192 ETOT(band)= -0.230549 trlgG= -0.286931 logG= -0.053713 TDE= -0.340200 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010679 tlogG= -0.047803 logG= -0.058482 logGD-logG0= -0.010851 tlogG= -0.048031 logG= -0.058882 Density= 0.215024 ETOT(band)= -0.234196 trlgG= -0.295229 logG= -0.058882 TDE= -0.342752 logGD-logG0= -0.010363 tlogG= -0.048046 logG= -0.058408 logGD-logG0= -0.010482 tlogG= -0.047676 logG= -0.058157 Density= 0.213861 ETOT(band)= -0.234259 trlgG= -0.294302 logG= -0.058157 TDE= -0.341973 Density= 0.214570 ETOT(band)= -0.234147 trlgG= -0.294524 logG= -0.058482 TDE= -0.342222 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214445 ETOT(band)= -0.234177 trlgG= -0.294607 logG= -0.058408 TDE= -0.342317 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010872 tlogG= -0.047435 logG= -0.058308 Density= 0.215385 ETOT(band)= -0.233690 trlgG= -0.294329 logG= -0.058308 TDE= -0.342604 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010879 tlogG= -0.047910 logG= -0.058789 Density= 0.215687 ETOT(band)= -0.233836 trlgG= -0.295132 logG= -0.058789 TDE= -0.343075 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010386 tlogG= -0.047167 logG= -0.057554 Density= 0.215066 ETOT(band)= -0.233426 trlgG= -0.293103 logG= -0.057554 TDE= -0.341975 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022415 logG= -0.027579 Density= 0.107590 ETOT(band)= -0.116003 trlgG= -0.144666 logG= -0.027579 TDE= -0.170329 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010085 tlogG= -0.047241 logG= -0.057326 Density= 0.214389 ETOT(band)= -0.233616 trlgG= -0.293184 logG= -0.057326 TDE= -0.341948 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.022335 logG= -0.027274 Density= 0.214940 ETOT(band)= -0.232039 trlgG= -0.289551 logG= -0.027274 TDE= -0.170287 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005148 tlogG= -0.024100 logG= -0.029249 Density= 0.107336 ETOT(band)= -0.117074 trlgG= -0.147365 logG= -0.029249 TDE= -0.171231 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023773 logG= -0.029072 Density= 0.108137 ETOT(band)= -0.116577 trlgG= -0.147043 logG= -0.029072 TDE= -0.171483 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009852 tlogG= -0.047944 logG= -0.057796 Density= 0.213180 ETOT(band)= -0.234339 trlgG= -0.294005 logG= -0.057796 TDE= -0.341701 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001483 tlogG= -0.007968 logG= -0.009451 Density= 0.070834 ETOT(band)= -0.077982 trlgG= -0.097612 logG= -0.009451 TDE= -0.056974 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001222 tlogG= -0.005173 logG= -0.006395 Density= 0.062514 ETOT(band)= -0.067571 trlgG= -0.084344 logG= -0.006395 TDE= -0.042367 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001313 tlogG= -0.005941 logG= -0.007254 Density= 0.080801 ETOT(band)= -0.087678 trlgG= -0.110537 logG= -0.007254 TDE= -0.042874 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.023897 logG= -0.028651 Density= 0.213189 ETOT(band)= -0.233956 trlgG= -0.292968 logG= -0.028651 TDE= -0.170817 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006876 logG= -0.008505 Density= 0.040833 ETOT(band)= -0.042687 trlgG= -0.052880 logG= -0.008505 TDE= -0.056473 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005369 tlogG= -0.024011 logG= -0.029379 Density= 0.215604 ETOT(band)= -0.233937 trlgG= -0.295287 logG= -0.029379 TDE= -0.171611 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001312 tlogG= -0.005986 logG= -0.007298 Density= 0.081031 ETOT(band)= -0.087579 trlgG= -0.110588 logG= -0.007298 TDE= -0.042904 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004583 tlogG= -0.023748 logG= -0.028331 Density= 0.212992 ETOT(band)= -0.233681 trlgG= -0.292239 logG= -0.028331 TDE= -0.170814 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.024014 logG= -0.028935 Density= 0.321435 ETOT(band)= -0.351241 trlgG= -0.442045 logG= -0.028935 TDE= -0.171259 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023594 logG= -0.028232 Density= 0.212523 ETOT(band)= -0.234091 trlgG= -0.293218 logG= -0.028232 TDE= -0.170730 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005464 tlogG= -0.024132 logG= -0.029596 Density= 0.215637 ETOT(band)= -0.234093 trlgG= -0.295704 logG= -0.029596 TDE= -0.171644 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.022976 logG= -0.028302 Density= 0.216142 ETOT(band)= -0.232162 trlgG= -0.291044 logG= -0.028302 TDE= -0.170934 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.023889 logG= -0.028958 Density= 0.213698 ETOT(band)= -0.234100 trlgG= -0.293477 logG= -0.028958 TDE= -0.170827 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.024170 logG= -0.029363 Density= 0.322314 ETOT(band)= -0.351348 trlgG= -0.442718 logG= -0.029363 TDE= -0.171265 logGD-logG0= -0.004930 tlogG= -0.023253 logG= -0.028183 Density= 0.213406 ETOT(band)= -0.233708 trlgG= -0.292697 logG= -0.028183 TDE= -0.170779 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.024015 logG= -0.028904 Density= 0.214032 ETOT(band)= -0.234176 trlgG= -0.294602 logG= -0.028904 TDE= -0.171264 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.024091 logG= -0.029489 Density= 0.322938 ETOT(band)= -0.351318 trlgG= -0.443368 logG= -0.029489 TDE= -0.171458 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.022300 logG= -0.027393 logGD-logG0= -0.004984 tlogG= -0.023845 logG= -0.028829 Density= 0.214169 ETOT(band)= -0.232530 trlgG= -0.289908 logG= -0.027393 TDE= -0.170201 Density= 0.213482 ETOT(band)= -0.234240 trlgG= -0.294216 logG= -0.028829 TDE= -0.171083 logGD-logG0= -0.001741 tlogG= -0.007119 logG= -0.008860 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072202 ETOT(band)= -0.076506 trlgG= -0.094990 logG= -0.008860 TDE= -0.056634 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004799 tlogG= -0.023379 logG= -0.028178 Density= 0.214093 ETOT(band)= -0.233463 trlgG= -0.292806 logG= -0.028178 TDE= -0.170942 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005319 tlogG= -0.023201 logG= -0.028520 logGD-logG0= -0.005496 tlogG= -0.023967 logG= -0.029463 Density= 0.214781 ETOT(band)= -0.233040 trlgG= -0.291684 logG= -0.028520 TDE= -0.170652 Density= 0.323539 ETOT(band)= -0.350777 trlgG= -0.442800 logG= -0.029463 TDE= -0.171516 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.023376 logG= -0.028206 Density= 0.321503 ETOT(band)= -0.350193 trlgG= -0.439465 logG= -0.028206 TDE= -0.170934 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009261 tlogG= -0.048111 logG= -0.057372 Density= 0.425344 ETOT(band)= -0.468536 trlgG= -0.587418 logG= -0.057372 TDE= -0.341848 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.023966 logG= -0.029290 Density= 0.216309 ETOT(band)= -0.233311 trlgG= -0.294570 logG= -0.029290 TDE= -0.171602 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005511 tlogG= -0.023908 logG= -0.029419 Density= 0.215564 ETOT(band)= -0.233839 trlgG= -0.295014 logG= -0.029419 TDE= -0.171468 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005345 tlogG= -0.023771 logG= -0.029116 Density= 0.216198 ETOT(band)= -0.233114 trlgG= -0.293867 logG= -0.029116 TDE= -0.171460 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.024165 logG= -0.029332 Density= 0.214656 ETOT(band)= -0.234253 trlgG= -0.294996 logG= -0.029332 TDE= -0.171270 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005559 tlogG= -0.023694 logG= -0.029253 Density= 0.215325 ETOT(band)= -0.233693 trlgG= -0.294317 logG= -0.029253 TDE= -0.171290 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.024009 logG= -0.029341 Density= 0.216275 ETOT(band)= -0.233415 trlgG= -0.294803 logG= -0.029341 TDE= -0.171629 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023852 logG= -0.029076 Density= 0.215413 ETOT(band)= -0.233840 trlgG= -0.294737 logG= -0.029076 TDE= -0.171147 logGD-logG0= -0.005400 tlogG= -0.023489 logG= -0.028889 Density= 0.215130 ETOT(band)= -0.233411 trlgG= -0.293370 logG= -0.028889 TDE= -0.171202 logGD-logG0= -0.009938 tlogG= -0.047856 logG= -0.057795 logGD-logG0= -0.009747 tlogG= -0.046728 logG= -0.056474 Density= 0.427709 ETOT(band)= -0.466312 trlgG= -0.582783 logG= -0.056474 TDE= -0.341288 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427859 ETOT(band)= -0.468336 trlgG= -0.588791 logG= -0.057795 TDE= -0.342334 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023251 logG= -0.028428 Density= 0.321572 ETOT(band)= -0.350698 trlgG= -0.440317 logG= -0.028428 TDE= -0.170888 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010986 tlogG= -0.048057 logG= -0.059043 Density= 0.323124 ETOT(band)= -0.351108 trlgG= -0.443062 logG= -0.059043 TDE= -0.343092 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009978 tlogG= -0.046620 logG= -0.056598 Density= 0.322575 ETOT(band)= -0.349141 trlgG= -0.437097 logG= -0.056598 TDE= -0.341677 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.048165 logG= -0.058606 Density= 0.429129 ETOT(band)= -0.468440 trlgG= -0.589554 logG= -0.058606 TDE= -0.342380 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010554 tlogG= -0.047684 logG= -0.058238 Density= 0.428115 ETOT(band)= -0.468317 trlgG= -0.588120 logG= -0.058238 TDE= -0.341975 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009798 tlogG= -0.046624 logG= -0.056421 Density= 0.427916 ETOT(band)= -0.467033 trlgG= -0.585392 logG= -0.056421 TDE= -0.341703 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011049 tlogG= -0.047713 logG= -0.058761 Density= 0.430927 ETOT(band)= -0.467630 trlgG= -0.589627 logG= -0.058761 TDE= -0.342844 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005309 logG= -0.006549 Density= 0.081528 ETOT(band)= -0.085715 trlgG= -0.106376 logG= -0.006549 TDE= -0.042469 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005224 tlogG= -0.021887 logG= -0.027111 Density= 0.216543 ETOT(band)= -0.230365 trlgG= -0.286934 logG= -0.027111 TDE= -0.170258 logGD-logG0= -0.001260 tlogG= -0.005470 logG= -0.006730 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081168 ETOT(band)= -0.086384 trlgG= -0.107538 logG= -0.006730 TDE= -0.042580 logGD-logG0= -0.011012 tlogG= -0.047282 logG= -0.058294 Density= 0.430312 ETOT(band)= -0.467266 trlgG= -0.587798 logG= -0.058294 TDE= -0.342353 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010613 tlogG= -0.046946 logG= -0.057558 Density= 0.429707 ETOT(band)= -0.466645 trlgG= -0.585147 logG= -0.057558 TDE= -0.341688 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010471 tlogG= -0.045643 logG= -0.056114 Density= 0.323918 ETOT(band)= -0.348067 trlgG= -0.435653 logG= -0.056114 TDE= -0.341522 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.022335 logG= -0.027314 Density= 0.322741 ETOT(band)= -0.348109 trlgG= -0.434704 logG= -0.027314 TDE= -0.170281 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005116 tlogG= -0.022912 logG= -0.028028 Density= 0.214708 ETOT(band)= -0.232487 trlgG= -0.290152 logG= -0.028028 TDE= -0.170465 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.021358 logG= -0.026491 Density= 0.216937 ETOT(band)= -0.229255 trlgG= -0.284725 logG= -0.026491 TDE= -0.169926 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010227 tlogG= -0.046416 logG= -0.056644 Density= 0.429354 ETOT(band)= -0.465732 trlgG= -0.582449 logG= -0.056644 TDE= -0.341398 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.044636 logG= -0.054895 Density= 0.324159 ETOT(band)= -0.346796 trlgG= -0.432636 logG= -0.054895 TDE= -0.340843 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.021308 logG= -0.026358 Density= 0.162587 ETOT(band)= -0.173043 trlgG= -0.216252 logG= -0.026358 TDE= -0.169912 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001309 tlogG= -0.005858 logG= -0.007167 Density= 0.080616 ETOT(band)= -0.087644 trlgG= -0.110341 logG= -0.007167 TDE= -0.042820 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010953 tlogG= -0.047743 logG= -0.058696 Density= 0.430584 ETOT(band)= -0.467689 trlgG= -0.589271 logG= -0.058696 TDE= -0.342737 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.048237 logG= -0.058812 Density= 0.429868 ETOT(band)= -0.468441 trlgG= -0.590321 logG= -0.058812 TDE= -0.342596 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010786 tlogG= -0.048086 logG= -0.058872 Density= 0.429975 ETOT(band)= -0.468270 trlgG= -0.589992 logG= -0.058872 TDE= -0.342721 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010114 tlogG= -0.047869 logG= -0.057983 Density= 0.428962 ETOT(band)= -0.468106 trlgG= -0.588756 logG= -0.057983 TDE= -0.342320 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010537 tlogG= -0.047585 logG= -0.058123 Density= 0.429838 ETOT(band)= -0.467291 trlgG= -0.587079 logG= -0.058123 TDE= -0.342134 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.021213 logG= -0.026304 Density= 0.216261 ETOT(band)= -0.230119 trlgG= -0.285987 logG= -0.026304 TDE= -0.169832 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010741 tlogG= -0.047254 logG= -0.057994 Density= 0.324010 ETOT(band)= -0.349663 trlgG= -0.440358 logG= -0.057994 TDE= -0.342705 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001621 tlogG= -0.007591 logG= -0.009212 Density= 0.071467 ETOT(band)= -0.077377 trlgG= -0.096309 logG= -0.009212 TDE= -0.056749 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.022481 logG= -0.027544 Density= 0.214934 ETOT(band)= -0.231750 trlgG= -0.288504 logG= -0.027544 TDE= -0.170214 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.047576 logG= -0.057871 Density= 0.428431 ETOT(band)= -0.467660 trlgG= -0.587155 logG= -0.057871 TDE= -0.342019 logGD-logG0= -0.010973 tlogG= -0.048038 logG= -0.059012 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431169 ETOT(band)= -0.467912 trlgG= -0.590621 logG= -0.059012 TDE= -0.343109 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010106 tlogG= -0.044640 logG= -0.054746 Density= 0.431434 ETOT(band)= -0.462248 trlgG= -0.575646 logG= -0.054746 TDE= -0.340482 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004729 tlogG= -0.023980 logG= -0.028709 Density= 0.212714 ETOT(band)= -0.234368 trlgG= -0.293966 logG= -0.028709 TDE= -0.170865 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023809 logG= -0.029212 Density= 0.215251 ETOT(band)= -0.233845 trlgG= -0.294633 logG= -0.029212 TDE= -0.171459 logGD-logG0= -0.010740 tlogG= -0.046432 logG= -0.057172 Density= 0.323872 ETOT(band)= -0.349009 trlgG= -0.438273 logG= -0.057172 TDE= -0.342147 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009953 tlogG= -0.047663 logG= -0.057616 Density= 0.426488 ETOT(band)= -0.468556 trlgG= -0.587932 logG= -0.057616 TDE= -0.341866 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010693 tlogG= -0.047805 logG= -0.058498 Density= 0.324230 ETOT(band)= -0.350029 trlgG= -0.441704 logG= -0.058498 TDE= -0.343097 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004452 tlogG= -0.024139 logG= -0.028591 Density= 0.212074 ETOT(band)= -0.234475 trlgG= -0.294170 logG= -0.028591 TDE= -0.171013 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010611 tlogG= -0.047973 logG= -0.058584 Density= 0.429032 ETOT(band)= -0.468402 trlgG= -0.589202 logG= -0.058584 TDE= -0.342221 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009906 tlogG= -0.047783 logG= -0.057689 Density= 0.426994 ETOT(band)= -0.468103 trlgG= -0.586778 logG= -0.057689 TDE= -0.341568 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.939252299255 eV TrLogG= -407.857978637877 eV Ratio to renormalize= 1.000432579463 rho-rho_expected=-0.009512633208 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964720459717080 0.940555013470389 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005102 tlogG= -0.022178 logG= -0.027281 Density= 0.108317 ETOT(band)= -0.115469 trlgG= -0.144180 logG= -0.027281 TDE= -0.170500 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023693 logG= -0.029134 Density= 0.107188 ETOT(band)= -0.117046 trlgG= -0.147079 logG= -0.029134 TDE= -0.170987 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023650 logG= -0.028804 Density= 0.106934 ETOT(band)= -0.116976 trlgG= -0.146530 logG= -0.028804 TDE= -0.170641 logGD-logG0= -0.004862 tlogG= -0.023696 logG= -0.028558 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023225 logG= -0.028471 Density= 0.108153 ETOT(band)= -0.116242 trlgG= -0.146092 logG= -0.028471 TDE= -0.171141 Density= 0.106931 ETOT(band)= -0.116887 trlgG= -0.146720 logG= -0.028558 TDE= -0.171076 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.022883 logG= -0.028147 Density= 0.107573 ETOT(band)= -0.116339 trlgG= -0.145568 logG= -0.028147 TDE= -0.170654 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023900 logG= -0.028961 Density= 0.106712 ETOT(band)= -0.117160 trlgG= -0.147144 logG= -0.028961 TDE= -0.170989 logGD-logG0= -0.005035 tlogG= -0.024079 logG= -0.029114 Density= 0.107012 ETOT(band)= -0.117140 trlgG= -0.147397 logG= -0.029114 TDE= -0.171238 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000202 tlogG= -0.000853 logG= -0.001055 Density= 0.004541 ETOT(band)= -0.004734 trlgG= -0.005861 logG= -0.001055 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.011888 logG= -0.014290 Density= 0.053539 ETOT(band)= -0.058424 trlgG= -0.073382 logG= -0.014290 TDE= -0.085585 logGD-logG0= -0.002679 tlogG= -0.012037 logG= -0.014716 Density= 0.053742 ETOT(band)= -0.058555 trlgG= -0.073800 logG= -0.014716 TDE= -0.085679 logGD-logG0= -0.002497 tlogG= -0.012087 logG= -0.014584 Density= 0.053562 ETOT(band)= -0.058567 trlgG= -0.073744 logG= -0.014584 TDE= -0.085665 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002408 tlogG= -0.011452 logG= -0.013860 Density= 0.053715 ETOT(band)= -0.058092 trlgG= -0.072615 logG= -0.013860 TDE= -0.085336 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001537 tlogG= -0.007814 logG= -0.009351 Density= 0.035476 ETOT(band)= -0.038941 trlgG= -0.048686 logG= -0.009351 TDE= -0.056890 logGD-logG0= -0.001457 tlogG= -0.008048 logG= -0.009504 Density= 0.035297 ETOT(band)= -0.039093 trlgG= -0.049052 logG= -0.009504 TDE= -0.057014 logGD-logG0= -0.002632 tlogG= -0.011989 logG= -0.014622 Density= 0.054118 ETOT(band)= -0.058315 trlgG= -0.073660 logG= -0.014622 TDE= -0.085818 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.022466 logG= -0.027652 Density= 0.108161 ETOT(band)= -0.115776 trlgG= -0.144789 logG= -0.027652 TDE= -0.170661 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004477 tlogG= -0.024060 logG= -0.028538 Density= 0.106069 ETOT(band)= -0.117215 trlgG= -0.147027 logG= -0.028538 TDE= -0.170977 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.024079 logG= -0.029513 logGD-logG0= -0.005299 tlogG= -0.023774 logG= -0.029073 Density= 0.107601 ETOT(band)= -0.117110 trlgG= -0.147746 logG= -0.029513 TDE= -0.171480 logGD-logG0= -0.005253 tlogG= -0.022992 logG= -0.028245 Density= 0.108094 ETOT(band)= -0.116149 trlgG= -0.145737 logG= -0.028245 TDE= -0.170982 Density= 0.108138 ETOT(band)= -0.116580 trlgG= -0.147047 logG= -0.029073 TDE= -0.171486 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004504 tlogG= -0.023983 logG= -0.028487 Density= 0.106121 ETOT(band)= -0.117171 trlgG= -0.146913 logG= -0.028487 TDE= -0.170939 logGD-logG0= -0.004702 tlogG= -0.024054 logG= -0.028756 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004775 tlogG= -0.023214 logG= -0.027989 Density= 0.106690 ETOT(band)= -0.116668 trlgG= -0.145702 logG= -0.027989 TDE= -0.170508 Density= 0.106341 ETOT(band)= -0.117202 trlgG= -0.147034 logG= -0.028756 TDE= -0.170901 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.023440 logG= -0.028735 logGD-logG0= -0.002702 tlogG= -0.011993 logG= -0.014695 Density= 0.108090 ETOT(band)= -0.116418 trlgG= -0.146511 logG= -0.028735 TDE= -0.171265 Density= 0.053963 ETOT(band)= -0.058437 trlgG= -0.073782 logG= -0.014695 TDE= -0.085790 logGD-logG0= -0.005163 tlogG= -0.022417 logG= -0.027580 Density= 0.107591 ETOT(band)= -0.116006 trlgG= -0.144671 logG= -0.027580 TDE= -0.170332 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023882 logG= -0.029154 logGD-logG0= -0.005275 tlogG= -0.023615 logG= -0.028891 Density= 0.108163 ETOT(band)= -0.116464 trlgG= -0.146755 logG= -0.028891 TDE= -0.171389 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108210 ETOT(band)= -0.116590 trlgG= -0.147176 logG= -0.029154 TDE= -0.171569 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.023961 logG= -0.029246 logGD-logG0= -0.005439 tlogG= -0.024098 logG= -0.029537 Density= 0.108189 ETOT(band)= -0.116654 trlgG= -0.147325 logG= -0.029246 TDE= -0.171616 Density= 0.107847 ETOT(band)= -0.117017 trlgG= -0.147808 logG= -0.029537 TDE= -0.171639 logGD-logG0= -0.004861 tlogG= -0.022998 logG= -0.027859 Density= 0.106826 ETOT(band)= -0.116536 trlgG= -0.145438 logG= -0.027859 TDE= -0.170441 logGD-logG0= -0.005383 tlogG= -0.023976 logG= -0.029359 logGD-logG0= -0.004835 tlogG= -0.023677 logG= -0.028512 Density= 0.107402 ETOT(band)= -0.117097 trlgG= -0.147473 logG= -0.029359 TDE= -0.171262 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106551 ETOT(band)= -0.117007 trlgG= -0.146617 logG= -0.028512 TDE= -0.170832 logGD-logG0= -0.005015 tlogG= -0.022858 logG= -0.027873 logGD-logG0= -0.005472 tlogG= -0.024145 logG= -0.029617 logGD-logG0= -0.005466 tlogG= -0.023910 logG= -0.029376 logGD-logG0= -0.005181 tlogG= -0.022743 logG= -0.027924 Density= 0.108207 ETOT(band)= -0.115912 trlgG= -0.145225 logG= -0.027924 TDE= -0.170847 Density= 0.107705 ETOT(band)= -0.116134 trlgG= -0.145155 logG= -0.027873 TDE= -0.170580 Density= 0.107770 ETOT(band)= -0.117105 trlgG= -0.147935 logG= -0.029617 TDE= -0.171648 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107711 ETOT(band)= -0.116976 trlgG= -0.147530 logG= -0.029376 TDE= -0.171455 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.023508 logG= -0.028397 Density= 0.106727 ETOT(band)= -0.116859 trlgG= -0.146186 logG= -0.028397 TDE= -0.170603 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.024102 logG= -0.029250 Density= 0.107337 ETOT(band)= -0.117077 trlgG= -0.147368 logG= -0.029250 TDE= -0.171234 logGD-logG0= -0.005455 tlogG= -0.023204 logG= -0.028659 Density= 0.107641 ETOT(band)= -0.116586 trlgG= -0.146378 logG= -0.028659 TDE= -0.170985 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.022861 logG= -0.027753 Density= 0.107252 ETOT(band)= -0.116281 trlgG= -0.145284 logG= -0.027753 TDE= -0.170605 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.023697 logG= -0.028681 Density= 0.107335 ETOT(band)= -0.116766 trlgG= -0.146626 logG= -0.028681 TDE= -0.171061 logGD-logG0= -0.010092 tlogG= -0.048263 logG= -0.058356 Density= 0.214316 ETOT(band)= -0.234237 trlgG= -0.294866 logG= -0.058356 TDE= -0.342565 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005413 tlogG= -0.024070 logG= -0.029482 logGD-logG0= -0.005462 tlogG= -0.023591 logG= -0.029052 Density= 0.107759 ETOT(band)= -0.116747 trlgG= -0.147007 logG= -0.029052 TDE= -0.171279 Density= 0.107907 ETOT(band)= -0.116949 trlgG= -0.147718 logG= -0.029482 TDE= -0.171633 logGD-logG0= -0.001740 tlogG= -0.007307 logG= -0.009047 Density= 0.035829 ETOT(band)= -0.038590 trlgG= -0.047985 logG= -0.009047 TDE= -0.056668 logGD-logG0= -0.001672 tlogG= -0.006994 logG= -0.008667 Density= 0.036182 ETOT(band)= -0.038140 trlgG= -0.047322 logG= -0.008667 TDE= -0.056560 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010239 tlogG= -0.047920 logG= -0.058159 logGD-logG0= -0.010814 tlogG= -0.047765 logG= -0.058579 logGD-logG0= -0.009420 tlogG= -0.047648 logG= -0.057069 Density= 0.214673 ETOT(band)= -0.234158 trlgG= -0.294700 logG= -0.058579 TDE= -0.342352 logGD-logG0= -0.009958 tlogG= -0.047179 logG= -0.057137 Density= 0.212832 ETOT(band)= -0.234138 trlgG= -0.293368 logG= -0.057069 TDE= -0.341620 Density= 0.213677 ETOT(band)= -0.233834 trlgG= -0.293293 logG= -0.057137 TDE= -0.341894 Density= 0.213881 ETOT(band)= -0.234277 trlgG= -0.294557 logG= -0.058159 TDE= -0.342237 logGD-logG0= -0.010053 tlogG= -0.045609 logG= -0.055662 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214274 ETOT(band)= -0.232747 trlgG= -0.290648 logG= -0.055662 TDE= -0.341019 logGD-logG0= -0.009773 tlogG= -0.045779 logG= -0.055552 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009852 tlogG= -0.047946 logG= -0.057799 Density= 0.214931 ETOT(band)= -0.232394 trlgG= -0.290467 logG= -0.055552 TDE= -0.341274 Density= 0.213182 ETOT(band)= -0.234345 trlgG= -0.294013 logG= -0.057799 TDE= -0.341708 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010768 tlogG= -0.048100 logG= -0.058868 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214989 ETOT(band)= -0.234210 trlgG= -0.295209 logG= -0.058868 TDE= -0.342728 logGD-logG0= -0.010618 tlogG= -0.047997 logG= -0.058615 Density= 0.214991 ETOT(band)= -0.234065 trlgG= -0.294793 logG= -0.058615 TDE= -0.342566 logGD-logG0= -0.010679 tlogG= -0.047805 logG= -0.058484 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009730 tlogG= -0.047467 logG= -0.057196 logGD-logG0= -0.010123 tlogG= -0.047170 logG= -0.057293 logGD-logG0= -0.010158 tlogG= -0.045667 logG= -0.055826 Density= 0.214224 ETOT(band)= -0.233662 trlgG= -0.293420 logG= -0.057196 TDE= -0.342232 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215064 ETOT(band)= -0.232468 trlgG= -0.290458 logG= -0.055826 TDE= -0.341057 logGD-logG0= -0.002475 tlogG= -0.010430 logG= -0.012905 Density= 0.054358 ETOT(band)= -0.057091 trlgG= -0.070805 logG= -0.012905 TDE= -0.084799 logGD-logG0= -0.010362 tlogG= -0.048048 logG= -0.058410 Density= 0.214447 ETOT(band)= -0.234183 trlgG= -0.294614 logG= -0.058410 TDE= -0.342323 Density= 0.214572 ETOT(band)= -0.234153 trlgG= -0.294532 logG= -0.058484 TDE= -0.342229 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005423 tlogG= -0.023881 logG= -0.029305 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010482 tlogG= -0.047678 logG= -0.058159 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107875 ETOT(band)= -0.116842 trlgG= -0.147421 logG= -0.029305 TDE= -0.171498 Density= 0.213862 ETOT(band)= -0.234264 trlgG= -0.294309 logG= -0.058159 TDE= -0.341980 Density= 0.213688 ETOT(band)= -0.233878 trlgG= -0.293084 logG= -0.057293 TDE= -0.341535 logGD-logG0= -0.010851 tlogG= -0.048033 logG= -0.058884 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215025 ETOT(band)= -0.234201 trlgG= -0.295237 logG= -0.058884 TDE= -0.342759 logGD-logG0= -0.010898 tlogG= -0.047551 logG= -0.058449 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215620 ETOT(band)= -0.233653 trlgG= -0.294575 logG= -0.058449 TDE= -0.342825 logGD-logG0= -0.010823 tlogG= -0.047964 logG= -0.058787 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215817 ETOT(band)= -0.233768 trlgG= -0.295136 logG= -0.058787 TDE= -0.343146 logGD-logG0= -0.010913 tlogG= -0.046895 logG= -0.057809 Density= 0.215348 ETOT(band)= -0.233418 trlgG= -0.293535 logG= -0.057809 TDE= -0.342291 logGD-logG0= -0.010474 tlogG= -0.046429 logG= -0.056903 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.047324 logG= -0.058033 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214176 ETOT(band)= -0.234055 trlgG= -0.293783 logG= -0.058033 TDE= -0.341735 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215131 ETOT(band)= -0.233030 trlgG= -0.292093 logG= -0.056903 TDE= -0.341647 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010964 tlogG= -0.048163 logG= -0.059127 Density= 0.215343 ETOT(band)= -0.234226 trlgG= -0.295673 logG= -0.059127 TDE= -0.343109 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010872 tlogG= -0.047438 logG= -0.058310 Density= 0.215387 ETOT(band)= -0.233695 trlgG= -0.294337 logG= -0.058310 TDE= -0.342611 logGD-logG0= -0.010878 tlogG= -0.047913 logG= -0.058791 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215688 ETOT(band)= -0.233842 trlgG= -0.295140 logG= -0.058791 TDE= -0.343082 logGD-logG0= -0.002536 tlogG= -0.010845 logG= -0.013382 Density= 0.054042 ETOT(band)= -0.057610 trlgG= -0.071653 logG= -0.013382 TDE= -0.085014 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010085 tlogG= -0.047243 logG= -0.057328 Density= 0.214391 ETOT(band)= -0.233622 trlgG= -0.293192 logG= -0.057328 TDE= -0.341955 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010386 tlogG= -0.047170 logG= -0.057556 Density= 0.215067 ETOT(band)= -0.233431 trlgG= -0.293111 logG= -0.057556 TDE= -0.341982 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.020997 logG= -0.025965 Density= 0.108669 ETOT(band)= -0.114329 trlgG= -0.141889 logG= -0.025965 TDE= -0.169699 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005136 tlogG= -0.021883 logG= -0.027020 Density= 0.108282 ETOT(band)= -0.115285 trlgG= -0.143729 logG= -0.027020 TDE= -0.170293 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005217 tlogG= -0.021827 logG= -0.027044 Density= 0.107745 ETOT(band)= -0.115577 trlgG= -0.143793 logG= -0.027044 TDE= -0.170067 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010308 tlogG= -0.043407 logG= -0.053715 Density= 0.216193 ETOT(band)= -0.230554 trlgG= -0.286939 logG= -0.053715 TDE= -0.340207 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005049 tlogG= -0.021573 logG= -0.026622 Density= 0.108473 ETOT(band)= -0.114918 trlgG= -0.143048 logG= -0.026622 TDE= -0.170103 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005157 tlogG= -0.021703 logG= -0.026860 Density= 0.107889 ETOT(band)= -0.115383 trlgG= -0.143483 logG= -0.026860 TDE= -0.170011 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005227 tlogG= -0.023967 logG= -0.029193 Density= 0.214255 ETOT(band)= -0.234188 trlgG= -0.294391 logG= -0.029193 TDE= -0.171101 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.022448 logG= -0.027712 Density= 0.216287 ETOT(band)= -0.231370 trlgG= -0.289065 logG= -0.027712 TDE= -0.170602 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.023889 logG= -0.028959 Density= 0.213699 ETOT(band)= -0.234106 trlgG= -0.293486 logG= -0.028959 TDE= -0.170831 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023425 logG= -0.028777 Density= 0.216117 ETOT(band)= -0.232741 trlgG= -0.292668 logG= -0.028777 TDE= -0.171225 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.024017 logG= -0.028905 Density= 0.214034 ETOT(band)= -0.234181 trlgG= -0.294610 logG= -0.028905 TDE= -0.171268 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.023380 logG= -0.028179 Density= 0.214095 ETOT(band)= -0.233468 trlgG= -0.292814 logG= -0.028179 TDE= -0.170945 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005319 tlogG= -0.023202 logG= -0.028521 Density= 0.214782 ETOT(band)= -0.233046 trlgG= -0.291692 logG= -0.028521 TDE= -0.170656 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.023846 logG= -0.028830 Density= 0.213484 ETOT(band)= -0.234246 trlgG= -0.294224 logG= -0.028830 TDE= -0.171086 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004452 tlogG= -0.024141 logG= -0.028592 Density= 0.212075 ETOT(band)= -0.234480 trlgG= -0.294178 logG= -0.028592 TDE= -0.171016 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001313 tlogG= -0.005942 logG= -0.007255 Density= 0.080801 ETOT(band)= -0.087680 trlgG= -0.110540 logG= -0.007255 TDE= -0.042875 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001309 tlogG= -0.005858 logG= -0.007167 Density= 0.080617 ETOT(band)= -0.087646 trlgG= -0.110344 logG= -0.007167 TDE= -0.042821 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006876 logG= -0.008505 Density= 0.040833 ETOT(band)= -0.042688 trlgG= -0.052881 logG= -0.008505 TDE= -0.056474 logGD-logG0= -0.004583 tlogG= -0.023749 logG= -0.028332 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212994 ETOT(band)= -0.233687 trlgG= -0.292247 logG= -0.028332 TDE= -0.170818 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023595 logG= -0.028233 Density= 0.212524 ETOT(band)= -0.234097 trlgG= -0.293225 logG= -0.028233 TDE= -0.170733 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001483 tlogG= -0.007969 logG= -0.009452 Density= 0.070835 ETOT(band)= -0.077984 trlgG= -0.097615 logG= -0.009452 TDE= -0.056975 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022913 logG= -0.028029 Density= 0.214709 ETOT(band)= -0.232492 trlgG= -0.290160 logG= -0.028029 TDE= -0.170468 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001312 tlogG= -0.005986 logG= -0.007298 Density= 0.081031 ETOT(band)= -0.087581 trlgG= -0.110591 logG= -0.007298 TDE= -0.042905 logGD-logG0= -0.001294 tlogG= -0.005750 logG= -0.007045 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080604 ETOT(band)= -0.087431 trlgG= -0.109788 logG= -0.007045 TDE= -0.042755 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005622 logG= -0.006895 Density= 0.080805 ETOT(band)= -0.087001 trlgG= -0.108783 logG= -0.006895 TDE= -0.042679 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001621 tlogG= -0.007591 logG= -0.009212 Density= 0.071467 ETOT(band)= -0.077379 trlgG= -0.096312 logG= -0.009212 TDE= -0.056750 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005368 tlogG= -0.024012 logG= -0.029380 Density= 0.215606 ETOT(band)= -0.233942 trlgG= -0.295295 logG= -0.029380 TDE= -0.171615 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.023898 logG= -0.028653 Density= 0.213190 ETOT(band)= -0.233961 trlgG= -0.292976 logG= -0.028653 TDE= -0.170820 logGD-logG0= -0.001222 tlogG= -0.005173 logG= -0.006395 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062514 ETOT(band)= -0.067572 trlgG= -0.084346 logG= -0.006395 TDE= -0.042368 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005324 tlogG= -0.023967 logG= -0.029291 Density= 0.216311 ETOT(band)= -0.233316 trlgG= -0.294578 logG= -0.029291 TDE= -0.171605 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023773 logG= -0.029117 Density= 0.216199 ETOT(band)= -0.233119 trlgG= -0.293875 logG= -0.029117 TDE= -0.171464 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.024166 logG= -0.029333 Density= 0.214658 ETOT(band)= -0.234258 trlgG= -0.295004 logG= -0.029333 TDE= -0.171273 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005402 tlogG= -0.023810 logG= -0.029213 Density= 0.215252 ETOT(band)= -0.233850 trlgG= -0.294641 logG= -0.029213 TDE= -0.171462 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.024016 logG= -0.028936 Density= 0.321437 ETOT(band)= -0.351249 trlgG= -0.442056 logG= -0.028936 TDE= -0.171263 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005463 tlogG= -0.024134 logG= -0.029597 Density= 0.215639 ETOT(band)= -0.234099 trlgG= -0.295712 logG= -0.029597 TDE= -0.171648 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024010 logG= -0.029342 logGD-logG0= -0.005223 tlogG= -0.023853 logG= -0.029077 Density= 0.215415 ETOT(band)= -0.233845 trlgG= -0.294745 logG= -0.029077 TDE= -0.171151 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216277 ETOT(band)= -0.233420 trlgG= -0.294811 logG= -0.029342 TDE= -0.171632 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001741 tlogG= -0.007120 logG= -0.008861 logGD-logG0= -0.005400 tlogG= -0.023490 logG= -0.028890 logGD-logG0= -0.004729 tlogG= -0.023981 logG= -0.028710 Density= 0.215131 ETOT(band)= -0.233417 trlgG= -0.293378 logG= -0.028890 TDE= -0.171205 Density= 0.212715 ETOT(band)= -0.234374 trlgG= -0.293973 logG= -0.028710 TDE= -0.170869 Density= 0.072202 ETOT(band)= -0.076507 trlgG= -0.094993 logG= -0.008861 TDE= -0.056635 logGD-logG0= -0.005559 tlogG= -0.023695 logG= -0.029254 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215326 ETOT(band)= -0.233698 trlgG= -0.294325 logG= -0.029254 TDE= -0.171294 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009261 tlogG= -0.048113 logG= -0.057374 Density= 0.425347 ETOT(band)= -0.468547 trlgG= -0.587434 logG= -0.057374 TDE= -0.341854 logGD-logG0= -0.010471 tlogG= -0.045645 logG= -0.056116 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323920 ETOT(band)= -0.348075 trlgG= -0.435665 logG= -0.056116 TDE= -0.341529 logGD-logG0= -0.009747 tlogG= -0.046730 logG= -0.056476 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427712 ETOT(band)= -0.466323 trlgG= -0.582799 logG= -0.056476 TDE= -0.341294 logGD-logG0= -0.005050 tlogG= -0.021309 logG= -0.026359 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162588 ETOT(band)= -0.173047 trlgG= -0.216258 logG= -0.026359 TDE= -0.169916 logGD-logG0= -0.005325 tlogG= -0.022978 logG= -0.028303 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010692 tlogG= -0.047808 logG= -0.058500 Density= 0.324233 ETOT(band)= -0.350037 trlgG= -0.441716 logG= -0.058500 TDE= -0.343104 Density= 0.216143 ETOT(band)= -0.232168 trlgG= -0.291053 logG= -0.028303 TDE= -0.170937 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.024172 logG= -0.029364 Density= 0.322317 ETOT(band)= -0.351356 trlgG= -0.442730 logG= -0.029364 TDE= -0.171268 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005495 tlogG= -0.023969 logG= -0.029464 logGD-logG0= -0.005177 tlogG= -0.023253 logG= -0.028429 Density= 0.323542 ETOT(band)= -0.350785 trlgG= -0.442812 logG= -0.029464 TDE= -0.171520 Density= 0.321574 ETOT(band)= -0.350706 trlgG= -0.440329 logG= -0.028429 TDE= -0.170891 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.023377 logG= -0.028208 logGD-logG0= -0.010739 tlogG= -0.046435 logG= -0.057174 Density= 0.323874 ETOT(band)= -0.349017 trlgG= -0.438286 logG= -0.057174 TDE= -0.342154 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321505 ETOT(band)= -0.350201 trlgG= -0.439477 logG= -0.028208 TDE= -0.170937 logGD-logG0= -0.009953 tlogG= -0.047665 logG= -0.057618 logGD-logG0= -0.004930 tlogG= -0.023254 logG= -0.028184 Density= 0.213408 ETOT(band)= -0.233713 trlgG= -0.292706 logG= -0.028184 TDE= -0.170782 Density= 0.426491 ETOT(band)= -0.468567 trlgG= -0.587948 logG= -0.057618 TDE= -0.341873 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010985 tlogG= -0.048060 logG= -0.059045 Density= 0.323126 ETOT(band)= -0.351116 trlgG= -0.443075 logG= -0.059045 TDE= -0.343098 logGD-logG0= -0.005398 tlogG= -0.024092 logG= -0.029490 Density= 0.322940 ETOT(band)= -0.351325 trlgG= -0.443380 logG= -0.029490 TDE= -0.171461 logGD-logG0= -0.005510 tlogG= -0.023909 logG= -0.029420 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010740 tlogG= -0.047257 logG= -0.057996 Density= 0.215566 ETOT(band)= -0.233845 trlgG= -0.295022 logG= -0.029420 TDE= -0.171471 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324013 ETOT(band)= -0.349671 trlgG= -0.440370 logG= -0.057996 TDE= -0.342712 logGD-logG0= -0.010227 tlogG= -0.046419 logG= -0.056646 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429357 ETOT(band)= -0.465743 trlgG= -0.582465 logG= -0.056646 TDE= -0.341404 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009977 tlogG= -0.046623 logG= -0.056600 Density= 0.322577 ETOT(band)= -0.349150 trlgG= -0.437109 logG= -0.056600 TDE= -0.341683 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.047785 logG= -0.057691 Density= 0.426997 ETOT(band)= -0.468114 trlgG= -0.586794 logG= -0.057691 TDE= -0.341574 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005309 logG= -0.006550 logGD-logG0= -0.010441 tlogG= -0.048167 logG= -0.058608 Density= 0.081528 ETOT(band)= -0.085717 trlgG= -0.106379 logG= -0.006550 TDE= -0.042470 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429132 ETOT(band)= -0.468451 trlgG= -0.589570 logG= -0.058608 TDE= -0.342386 logGD-logG0= -0.005585 tlogG= -0.023362 logG= -0.028947 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215023 ETOT(band)= -0.233443 trlgG= -0.293187 logG= -0.028947 TDE= -0.171000 logGD-logG0= -0.009938 tlogG= -0.047859 logG= -0.057797 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427862 ETOT(band)= -0.468347 trlgG= -0.588806 logG= -0.057797 TDE= -0.342341 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010611 tlogG= -0.047975 logG= -0.058586 Density= 0.429035 ETOT(band)= -0.468413 trlgG= -0.589218 logG= -0.058586 TDE= -0.342228 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010554 tlogG= -0.047686 logG= -0.058240 logGD-logG0= -0.010785 tlogG= -0.048088 logG= -0.058874 Density= 0.428118 ETOT(band)= -0.468328 trlgG= -0.588136 logG= -0.058240 TDE= -0.341982 Density= 0.429978 ETOT(band)= -0.468281 trlgG= -0.590009 logG= -0.058874 TDE= -0.342728 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010113 tlogG= -0.047872 logG= -0.057985 Density= 0.428966 ETOT(band)= -0.468117 trlgG= -0.588771 logG= -0.057985 TDE= -0.342326 logGD-logG0= -0.009797 tlogG= -0.046626 logG= -0.056424 logGD-logG0= -0.011048 tlogG= -0.047716 logG= -0.058763 logGD-logG0= -0.010953 tlogG= -0.047745 logG= -0.058698 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427919 ETOT(band)= -0.467044 trlgG= -0.585408 logG= -0.056424 TDE= -0.341709 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430588 ETOT(band)= -0.467700 trlgG= -0.589287 logG= -0.058698 TDE= -0.342744 Density= 0.430930 ETOT(band)= -0.467641 trlgG= -0.589643 logG= -0.058763 TDE= -0.342851 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.048239 logG= -0.058814 Density= 0.429872 ETOT(band)= -0.468451 trlgG= -0.590337 logG= -0.058814 TDE= -0.342603 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.044639 logG= -0.054898 Density= 0.324161 ETOT(band)= -0.346805 trlgG= -0.432648 logG= -0.054898 TDE= -0.340850 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.022301 logG= -0.027394 Density= 0.214171 ETOT(band)= -0.232536 trlgG= -0.289916 logG= -0.027394 TDE= -0.170204 logGD-logG0= -0.010972 tlogG= -0.048041 logG= -0.059013 Density= 0.431172 ETOT(band)= -0.467923 trlgG= -0.590637 logG= -0.059013 TDE= -0.343116 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010613 tlogG= -0.046948 logG= -0.057561 Density= 0.429710 ETOT(band)= -0.466656 trlgG= -0.585164 logG= -0.057561 TDE= -0.341695 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.022482 logG= -0.027545 logGD-logG0= -0.011012 tlogG= -0.047285 logG= -0.058296 Density= 0.214935 ETOT(band)= -0.231755 trlgG= -0.288512 logG= -0.027545 TDE= -0.170217 Density= 0.430316 ETOT(band)= -0.467277 trlgG= -0.587815 logG= -0.058296 TDE= -0.342360 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010294 tlogG= -0.047578 logG= -0.057873 Density= 0.428434 ETOT(band)= -0.467671 trlgG= -0.587171 logG= -0.057873 TDE= -0.342026 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010537 tlogG= -0.047588 logG= -0.058125 Density= 0.429842 ETOT(band)= -0.467302 trlgG= -0.587096 logG= -0.058125 TDE= -0.342141 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.021359 logG= -0.026492 Density= 0.216939 ETOT(band)= -0.229261 trlgG= -0.284734 logG= -0.026492 TDE= -0.169929 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004979 tlogG= -0.022336 logG= -0.027315 Density= 0.322743 ETOT(band)= -0.348118 trlgG= -0.434716 logG= -0.027315 TDE= -0.170284 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001260 tlogG= -0.005470 logG= -0.006730 Density= 0.081169 ETOT(band)= -0.086386 trlgG= -0.107541 logG= -0.006730 TDE= -0.042581 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.022336 logG= -0.027275 Density= 0.214941 ETOT(band)= -0.232045 trlgG= -0.289559 logG= -0.027275 TDE= -0.170291 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010105 tlogG= -0.044643 logG= -0.054748 Density= 0.431437 ETOT(band)= -0.462259 trlgG= -0.575663 logG= -0.054748 TDE= -0.340489 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005223 tlogG= -0.021888 logG= -0.027112 Density= 0.216544 ETOT(band)= -0.230371 trlgG= -0.286942 logG= -0.027112 TDE= -0.170262 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.021214 logG= -0.026306 Density= 0.216262 ETOT(band)= -0.230124 trlgG= -0.285995 logG= -0.026306 TDE= -0.169835 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.946798167940 eV TrLogG= -407.870288803201 eV Ratio to renormalize= 1.000425334351 rho-rho_expected=-0.009353377404 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 75) Finished k-point number 151 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 78) Finished k-point number 158 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 71) Finished k-point number 144 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 72) Finished k-point number 146 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 55) Finished k-point number 112 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964720257595123 0.940551575722758 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001446 tlogG= -0.008045 logG= -0.009490 Density= 0.035308 ETOT(band)= -0.039088 trlgG= -0.049031 logG= -0.009490 TDE= -0.057013 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004444 tlogG= -0.024052 logG= -0.028496 Density= 0.106103 ETOT(band)= -0.117200 trlgG= -0.146965 logG= -0.028496 TDE= -0.170974 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022408 logG= -0.027540 Density= 0.107628 ETOT(band)= -0.115991 trlgG= -0.144609 logG= -0.027540 TDE= -0.170329 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002461 tlogG= -0.010425 logG= -0.012886 Density= 0.054376 ETOT(band)= -0.057085 trlgG= -0.070775 logG= -0.012886 TDE= -0.084797 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001729 tlogG= -0.007305 logG= -0.009034 Density= 0.035841 ETOT(band)= -0.038586 trlgG= -0.047965 logG= -0.009034 TDE= -0.056667 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005021 tlogG= -0.021563 logG= -0.026583 Density= 0.108510 ETOT(band)= -0.114905 trlgG= -0.142988 logG= -0.026583 TDE= -0.170101 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.020987 logG= -0.025927 Density= 0.108706 ETOT(band)= -0.114317 trlgG= -0.141830 logG= -0.025927 TDE= -0.169697 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005187 tlogG= -0.021818 logG= -0.027004 Density= 0.107781 ETOT(band)= -0.115563 trlgG= -0.143733 logG= -0.027004 TDE= -0.170064 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 logGD-logG0= -0.002386 tlogG= -0.011884 logG= -0.014270 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007054 Density= 0.053558 ETOT(band)= -0.058416 trlgG= -0.073350 logG= -0.014270 TDE= -0.085584 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002481 tlogG= -0.012082 logG= -0.014563 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053582 ETOT(band)= -0.058559 trlgG= -0.073712 logG= -0.014563 TDE= -0.085663 logGD-logG0= -0.002392 tlogG= -0.011448 logG= -0.013840 Density= 0.053733 ETOT(band)= -0.058085 trlgG= -0.072585 logG= -0.013840 TDE= -0.085334 logGD-logG0= -0.002663 tlogG= -0.012032 logG= -0.014695 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053762 ETOT(band)= -0.058547 trlgG= -0.073768 logG= -0.014695 TDE= -0.085677 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001526 tlogG= -0.007812 logG= -0.009337 Density= 0.035488 ETOT(band)= -0.038936 trlgG= -0.048665 logG= -0.009337 TDE= -0.056889 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002618 tlogG= -0.011984 logG= -0.014602 Density= 0.054138 ETOT(band)= -0.058308 trlgG= -0.073629 logG= -0.014602 TDE= -0.085817 logGD-logG0= -0.005156 tlogG= -0.022456 logG= -0.027612 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108200 ETOT(band)= -0.115762 trlgG= -0.144727 logG= -0.027612 TDE= -0.170658 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.023430 logG= -0.028695 Density= 0.108130 ETOT(band)= -0.116404 trlgG= -0.146449 logG= -0.028695 TDE= -0.171262 logGD-logG0= -0.005269 tlogG= -0.023764 logG= -0.029033 Density= 0.108178 ETOT(band)= -0.116565 trlgG= -0.146984 logG= -0.029033 TDE= -0.171483 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005401 tlogG= -0.024071 logG= -0.029472 Density= 0.107641 ETOT(band)= -0.117094 trlgG= -0.147682 logG= -0.029472 TDE= -0.171477 logGD-logG0= -0.004470 tlogG= -0.023975 logG= -0.028446 logGD-logG0= -0.004668 tlogG= -0.024046 logG= -0.028714 Density= 0.106155 ETOT(band)= -0.117156 trlgG= -0.146851 logG= -0.028446 TDE= -0.170937 Density= 0.106377 ETOT(band)= -0.117186 trlgG= -0.146971 logG= -0.028714 TDE= -0.170898 logGD-logG0= -0.002687 tlogG= -0.011988 logG= -0.014675 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023950 logG= -0.029206 Density= 0.108229 ETOT(band)= -0.116640 trlgG= -0.147262 logG= -0.029206 TDE= -0.171613 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053983 ETOT(band)= -0.058429 trlgG= -0.073751 logG= -0.014675 TDE= -0.085789 logGD-logG0= -0.004742 tlogG= -0.023206 logG= -0.027948 Density= 0.106725 ETOT(band)= -0.116653 trlgG= -0.145640 logG= -0.027948 TDE= -0.170505 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004418 tlogG= -0.024132 logG= -0.028550 Density= 0.212144 ETOT(band)= -0.234450 trlgG= -0.294054 logG= -0.028550 TDE= -0.171013 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.022168 logG= -0.027241 logGD-logG0= -0.005246 tlogG= -0.023605 logG= -0.028851 Density= 0.108356 ETOT(band)= -0.115455 trlgG= -0.144118 logG= -0.027241 TDE= -0.170497 Density= 0.108203 ETOT(band)= -0.116450 trlgG= -0.146693 logG= -0.028851 TDE= -0.171386 logGD-logG0= -0.005243 tlogG= -0.023872 logG= -0.029115 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.023967 logG= -0.029318 Density= 0.107441 ETOT(band)= -0.117081 trlgG= -0.147409 logG= -0.029318 TDE= -0.171259 logGD-logG0= -0.004984 tlogG= -0.022849 logG= -0.027833 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.024093 logG= -0.029208 Density= 0.107376 ETOT(band)= -0.117061 trlgG= -0.147305 logG= -0.029208 TDE= -0.171232 Density= 0.107742 ETOT(band)= -0.116119 trlgG= -0.145094 logG= -0.027833 TDE= -0.170577 logGD-logG0= -0.005408 tlogG= -0.024088 logG= -0.029496 Density= 0.107888 ETOT(band)= -0.117001 trlgG= -0.147744 logG= -0.029496 TDE= -0.171636 Density= 0.108249 ETOT(band)= -0.116575 trlgG= -0.147113 logG= -0.029115 TDE= -0.171566 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.023642 logG= -0.028763 logGD-logG0= -0.005151 tlogG= -0.022733 logG= -0.027884 Density= 0.108246 ETOT(band)= -0.115898 trlgG= -0.145163 logG= -0.027884 TDE= -0.170844 Density= 0.106971 ETOT(band)= -0.116960 trlgG= -0.146466 logG= -0.028763 TDE= -0.170638 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.024134 logG= -0.029576 logGD-logG0= -0.004856 tlogG= -0.023500 logG= -0.028356 Density= 0.107811 ETOT(band)= -0.117089 trlgG= -0.147871 logG= -0.029576 TDE= -0.171645 Density= 0.106764 ETOT(band)= -0.116843 trlgG= -0.146124 logG= -0.028356 TDE= -0.170600 logGD-logG0= -0.005232 tlogG= -0.022874 logG= -0.028106 logGD-logG0= -0.005027 tlogG= -0.023892 logG= -0.028919 Density= 0.106749 ETOT(band)= -0.117144 trlgG= -0.147081 logG= -0.028919 TDE= -0.170986 Density= 0.107611 ETOT(band)= -0.116324 trlgG= -0.145506 logG= -0.028106 TDE= -0.170651 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005223 tlogG= -0.022982 logG= -0.028205 logGD-logG0= -0.005003 tlogG= -0.024070 logG= -0.029073 Density= 0.107051 ETOT(band)= -0.117124 trlgG= -0.147333 logG= -0.029073 TDE= -0.171235 logGD-logG0= -0.004829 tlogG= -0.022990 logG= -0.027819 logGD-logG0= -0.004830 tlogG= -0.023687 logG= -0.028517 Density= 0.106968 ETOT(band)= -0.116872 trlgG= -0.146658 logG= -0.028517 TDE= -0.171073 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106861 ETOT(band)= -0.116522 trlgG= -0.145377 logG= -0.027819 TDE= -0.170438 Density= 0.108133 ETOT(band)= -0.116134 trlgG= -0.145675 logG= -0.028205 TDE= -0.170979 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023669 logG= -0.028471 Density= 0.106587 ETOT(band)= -0.116991 trlgG= -0.146555 logG= -0.028471 TDE= -0.170829 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.023684 logG= -0.029092 logGD-logG0= -0.004952 tlogG= -0.023688 logG= -0.028640 logGD-logG0= -0.005434 tlogG= -0.023901 logG= -0.029335 Density= 0.107227 ETOT(band)= -0.117030 trlgG= -0.147015 logG= -0.029092 TDE= -0.170984 Density= 0.107751 ETOT(band)= -0.116960 trlgG= -0.147466 logG= -0.029335 TDE= -0.171451 Density= 0.107373 ETOT(band)= -0.116751 trlgG= -0.146564 logG= -0.028640 TDE= -0.171058 logGD-logG0= -0.005424 tlogG= -0.023195 logG= -0.028618 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107680 ETOT(band)= -0.116571 trlgG= -0.146315 logG= -0.028618 TDE= -0.170982 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.022852 logG= -0.027712 Density= 0.107288 ETOT(band)= -0.116267 trlgG= -0.145223 logG= -0.027712 TDE= -0.170602 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023215 logG= -0.028431 Density= 0.108193 ETOT(band)= -0.116227 trlgG= -0.146030 logG= -0.028431 TDE= -0.171138 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.022905 logG= -0.027988 Density= 0.214783 ETOT(band)= -0.232463 trlgG= -0.290037 logG= -0.027988 TDE= -0.170465 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023871 logG= -0.029265 Density= 0.107915 ETOT(band)= -0.116827 trlgG= -0.147358 logG= -0.029265 TDE= -0.171495 logGD-logG0= -0.010028 tlogG= -0.048245 logG= -0.058273 Density= 0.214393 ETOT(band)= -0.234205 trlgG= -0.294739 logG= -0.058273 TDE= -0.342559 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005431 tlogG= -0.023580 logG= -0.029012 Density= 0.107798 ETOT(band)= -0.116732 trlgG= -0.146944 logG= -0.029012 TDE= -0.171276 logGD-logG0= -0.009710 tlogG= -0.045761 logG= -0.055471 Density= 0.215004 ETOT(band)= -0.232364 trlgG= -0.290344 logG= -0.055471 TDE= -0.341268 logGD-logG0= -0.005383 tlogG= -0.024059 logG= -0.029442 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107947 ETOT(band)= -0.116934 trlgG= -0.147655 logG= -0.029442 TDE= -0.171630 logGD-logG0= -0.010174 tlogG= -0.047902 logG= -0.058076 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009353 tlogG= -0.047633 logG= -0.056985 Density= 0.213958 ETOT(band)= -0.234245 trlgG= -0.294430 logG= -0.058076 TDE= -0.342231 Density= 0.212903 ETOT(band)= -0.234107 trlgG= -0.293244 logG= -0.056985 TDE= -0.341614 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010704 tlogG= -0.048082 logG= -0.058786 Density= 0.215068 ETOT(band)= -0.234178 trlgG= -0.295082 logG= -0.058786 TDE= -0.342722 logGD-logG0= -0.009893 tlogG= -0.047161 logG= -0.057054 logGD-logG0= -0.010056 tlogG= -0.047154 logG= -0.057210 Density= 0.213750 ETOT(band)= -0.233803 trlgG= -0.293168 logG= -0.057054 TDE= -0.341888 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009990 tlogG= -0.045591 logG= -0.055581 Density= 0.213762 ETOT(band)= -0.233846 trlgG= -0.292959 logG= -0.057210 TDE= -0.341529 Density= 0.214346 ETOT(band)= -0.232717 trlgG= -0.290525 logG= -0.055581 TDE= -0.341013 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010749 tlogG= -0.047748 logG= -0.058497 Density= 0.214752 ETOT(band)= -0.234126 trlgG= -0.294573 logG= -0.058497 TDE= -0.342346 logGD-logG0= -0.010553 tlogG= -0.047980 logG= -0.058533 logGD-logG0= -0.010614 tlogG= -0.047787 logG= -0.058402 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215070 ETOT(band)= -0.234034 trlgG= -0.294666 logG= -0.058533 TDE= -0.342560 Density= 0.214650 ETOT(band)= -0.234121 trlgG= -0.294404 logG= -0.058402 TDE= -0.342223 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009666 tlogG= -0.047449 logG= -0.057114 Density= 0.214298 ETOT(band)= -0.233631 trlgG= -0.293295 logG= -0.057114 TDE= -0.342226 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010095 tlogG= -0.045649 logG= -0.055745 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215138 ETOT(band)= -0.232439 trlgG= -0.290334 logG= -0.055745 TDE= -0.341051 logGD-logG0= -0.001663 tlogG= -0.006991 logG= -0.008654 logGD-logG0= -0.010850 tlogG= -0.046878 logG= -0.057728 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010838 tlogG= -0.047531 logG= -0.058368 logGD-logG0= -0.010786 tlogG= -0.048015 logG= -0.058801 Density= 0.215105 ETOT(band)= -0.234169 trlgG= -0.295109 logG= -0.058801 TDE= -0.342753 Density= 0.215700 ETOT(band)= -0.233622 trlgG= -0.294448 logG= -0.058368 TDE= -0.342819 logGD-logG0= -0.010416 tlogG= -0.047661 logG= -0.058076 logGD-logG0= -0.010900 tlogG= -0.048145 logG= -0.059045 logGD-logG0= -0.010297 tlogG= -0.048030 logG= -0.058327 Density= 0.215426 ETOT(band)= -0.233388 trlgG= -0.293409 logG= -0.057728 TDE= -0.342285 Density= 0.213938 ETOT(band)= -0.234232 trlgG= -0.294182 logG= -0.058076 TDE= -0.341974 Density= 0.215423 ETOT(band)= -0.234194 trlgG= -0.295545 logG= -0.059045 TDE= -0.343102 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010763 tlogG= -0.047943 logG= -0.058706 Density= 0.215897 ETOT(band)= -0.233738 trlgG= -0.295010 logG= -0.058706 TDE= -0.343140 Density= 0.214525 ETOT(band)= -0.234151 trlgG= -0.294487 logG= -0.058327 TDE= -0.342317 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036194 ETOT(band)= -0.038135 trlgG= -0.047302 logG= -0.008654 TDE= -0.056559 logGD-logG0= -0.001215 tlogG= -0.005171 logG= -0.006386 Density= 0.062535 ETOT(band)= -0.067564 trlgG= -0.084311 logG= -0.006386 TDE= -0.042367 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010410 tlogG= -0.046412 logG= -0.056822 Density= 0.215208 ETOT(band)= -0.232999 trlgG= -0.291967 logG= -0.056822 TDE= -0.341641 logGD-logG0= -0.009784 tlogG= -0.047931 logG= -0.057715 logGD-logG0= -0.010808 tlogG= -0.047420 logG= -0.058228 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215466 ETOT(band)= -0.233664 trlgG= -0.294210 logG= -0.058228 TDE= -0.342605 Density= 0.213256 ETOT(band)= -0.234313 trlgG= -0.293887 logG= -0.057715 TDE= -0.341702 logGD-logG0= -0.001234 tlogG= -0.005307 logG= -0.006540 logGD-logG0= -0.010643 tlogG= -0.047308 logG= -0.057951 Density= 0.081556 ETOT(band)= -0.085707 trlgG= -0.106334 logG= -0.006540 TDE= -0.042469 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214252 ETOT(band)= -0.234023 trlgG= -0.293657 logG= -0.057951 TDE= -0.341729 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002521 tlogG= -0.010841 logG= -0.013362 logGD-logG0= -0.010818 tlogG= -0.047892 logG= -0.058710 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215768 ETOT(band)= -0.233811 trlgG= -0.295013 logG= -0.058710 TDE= -0.343076 Density= 0.054060 ETOT(band)= -0.057604 trlgG= -0.071623 logG= -0.013362 TDE= -0.085013 logGD-logG0= -0.010021 tlogG= -0.047225 logG= -0.057246 Density= 0.214466 ETOT(band)= -0.233591 trlgG= -0.293066 logG= -0.057246 TDE= -0.341949 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010322 tlogG= -0.047152 logG= -0.057474 Density= 0.215145 ETOT(band)= -0.233400 trlgG= -0.292985 logG= -0.057474 TDE= -0.341976 logGD-logG0= -0.001610 tlogG= -0.007589 logG= -0.009199 Density= 0.071491 ETOT(band)= -0.077369 trlgG= -0.096272 logG= -0.009199 TDE= -0.056749 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.021874 logG= -0.026981 Density= 0.108319 ETOT(band)= -0.115272 trlgG= -0.143669 logG= -0.026981 TDE= -0.170290 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.022474 logG= -0.027504 Density= 0.215007 ETOT(band)= -0.231727 trlgG= -0.288391 logG= -0.027504 TDE= -0.170214 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.021878 logG= -0.027073 Density= 0.216618 ETOT(band)= -0.230344 trlgG= -0.286822 logG= -0.027073 TDE= -0.170259 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005104 tlogG= -0.021349 logG= -0.026454 Density= 0.217012 ETOT(band)= -0.229235 trlgG= -0.284615 logG= -0.026454 TDE= -0.169926 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010248 tlogG= -0.043389 logG= -0.053637 Density= 0.216266 ETOT(band)= -0.230528 trlgG= -0.286819 logG= -0.053637 TDE= -0.340202 logGD-logG0= -0.005127 tlogG= -0.021695 logG= -0.026821 Density= 0.107925 ETOT(band)= -0.115370 trlgG= -0.143423 logG= -0.026821 TDE= -0.170008 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001301 tlogG= -0.005855 logG= -0.007157 Density= 0.080646 ETOT(band)= -0.087634 trlgG= -0.110296 logG= -0.007157 TDE= -0.042820 logGD-logG0= -0.001306 tlogG= -0.005939 logG= -0.007245 Density= 0.080831 ETOT(band)= -0.087668 trlgG= -0.110492 logG= -0.007245 TDE= -0.042874 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001287 tlogG= -0.005748 logG= -0.007035 Density= 0.080632 ETOT(band)= -0.087420 trlgG= -0.109742 logG= -0.007035 TDE= -0.042755 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005619 logG= -0.006885 Density= 0.080833 ETOT(band)= -0.086991 trlgG= -0.108737 logG= -0.006885 TDE= -0.042678 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001304 tlogG= -0.005984 logG= -0.007288 Density= 0.081061 ETOT(band)= -0.087570 trlgG= -0.110544 logG= -0.007288 TDE= -0.042904 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.024002 logG= -0.029340 Density= 0.215686 ETOT(band)= -0.233912 trlgG= -0.295168 logG= -0.029340 TDE= -0.171612 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001472 tlogG= -0.007966 logG= -0.009438 Density= 0.070858 ETOT(band)= -0.077974 trlgG= -0.097574 logG= -0.009438 TDE= -0.056974 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023800 logG= -0.029172 Density= 0.215331 ETOT(band)= -0.233819 trlgG= -0.294515 logG= -0.029172 TDE= -0.171459 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024006 logG= -0.028895 Density= 0.321552 ETOT(band)= -0.351201 trlgG= -0.441866 logG= -0.028895 TDE= -0.171260 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.024000 logG= -0.029302 Density= 0.216357 ETOT(band)= -0.233391 trlgG= -0.294686 logG= -0.029302 TDE= -0.171629 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.024123 logG= -0.029556 Density= 0.215720 ETOT(band)= -0.234067 trlgG= -0.295584 logG= -0.029556 TDE= -0.171645 logGD-logG0= -0.005368 tlogG= -0.023481 logG= -0.028849 logGD-logG0= -0.005160 tlogG= -0.024163 logG= -0.029323 Density= 0.322435 ETOT(band)= -0.351308 trlgG= -0.442539 logG= -0.029323 TDE= -0.171265 Density= 0.215209 ETOT(band)= -0.233386 trlgG= -0.293252 logG= -0.028849 TDE= -0.171202 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023845 logG= -0.029036 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215494 ETOT(band)= -0.233814 trlgG= -0.294619 logG= -0.029036 TDE= -0.171147 logGD-logG0= -0.004550 tlogG= -0.023741 logG= -0.028291 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213063 ETOT(band)= -0.233657 trlgG= -0.292124 logG= -0.028291 TDE= -0.170815 logGD-logG0= -0.005134 tlogG= -0.024157 logG= -0.029292 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214736 ETOT(band)= -0.234226 trlgG= -0.294877 logG= -0.029292 TDE= -0.171270 logGD-logG0= -0.005295 tlogG= -0.023957 logG= -0.029252 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023973 logG= -0.028668 Density= 0.216391 ETOT(band)= -0.233287 trlgG= -0.294453 logG= -0.029252 TDE= -0.171602 Density= 0.212787 ETOT(band)= -0.234342 trlgG= -0.293848 logG= -0.028668 TDE= -0.170866 logGD-logG0= -0.010633 tlogG= -0.047787 logG= -0.058420 logGD-logG0= -0.005366 tlogG= -0.024083 logG= -0.029449 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004720 tlogG= -0.023890 logG= -0.028611 Density= 0.324352 ETOT(band)= -0.349993 trlgG= -0.441529 logG= -0.058420 TDE= -0.343098 Density= 0.323061 ETOT(band)= -0.351278 trlgG= -0.443188 logG= -0.029449 TDE= -0.171458 logGD-logG0= -0.005234 tlogG= -0.022438 logG= -0.027672 Density= 0.216363 ETOT(band)= -0.231341 trlgG= -0.288942 logG= -0.027672 TDE= -0.170599 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010408 tlogG= -0.045628 logG= -0.056035 Density= 0.324035 ETOT(band)= -0.348031 trlgG= -0.435479 logG= -0.056035 TDE= -0.341523 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.023762 logG= -0.029077 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216279 ETOT(band)= -0.233090 trlgG= -0.293750 logG= -0.029077 TDE= -0.171461 Density= 0.213262 ETOT(band)= -0.233930 trlgG= -0.292851 logG= -0.028611 TDE= -0.170817 logGD-logG0= -0.004605 tlogG= -0.023587 logG= -0.028192 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.023368 logG= -0.028167 logGD-logG0= -0.005035 tlogG= -0.023882 logG= -0.028917 Density= 0.213775 ETOT(band)= -0.234074 trlgG= -0.293359 logG= -0.028917 TDE= -0.170828 Density= 0.212593 ETOT(band)= -0.234067 trlgG= -0.293102 logG= -0.028192 TDE= -0.170730 Density= 0.321617 ETOT(band)= -0.350155 trlgG= -0.439290 logG= -0.028167 TDE= -0.170934 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010680 tlogG= -0.047236 logG= -0.057916 Density= 0.324132 ETOT(band)= -0.349627 trlgG= -0.440182 logG= -0.057916 TDE= -0.342706 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.024007 logG= -0.028863 logGD-logG0= -0.005295 tlogG= -0.022968 logG= -0.028262 Density= 0.216221 ETOT(band)= -0.232138 trlgG= -0.290928 logG= -0.028262 TDE= -0.170934 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214110 ETOT(band)= -0.234149 trlgG= -0.294483 logG= -0.028863 TDE= -0.171265 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.023837 logG= -0.028788 Density= 0.213558 ETOT(band)= -0.234214 trlgG= -0.294098 logG= -0.028788 TDE= -0.171083 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010923 tlogG= -0.048041 logG= -0.058963 Density= 0.323247 ETOT(band)= -0.351069 trlgG= -0.442883 logG= -0.058963 TDE= -0.343092 logGD-logG0= -0.005145 tlogG= -0.023244 logG= -0.028389 Density= 0.321689 ETOT(band)= -0.350658 trlgG= -0.440139 logG= -0.028389 TDE= -0.170888 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.023415 logG= -0.028737 logGD-logG0= -0.009914 tlogG= -0.046605 logG= -0.056519 Density= 0.216196 ETOT(band)= -0.232711 trlgG= -0.292543 logG= -0.028737 TDE= -0.171222 Density= 0.322690 ETOT(band)= -0.349105 trlgG= -0.436922 logG= -0.056519 TDE= -0.341677 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.023245 logG= -0.028143 Density= 0.213479 ETOT(band)= -0.233683 trlgG= -0.292582 logG= -0.028143 TDE= -0.170779 logGD-logG0= -0.004767 tlogG= -0.023371 logG= -0.028138 Density= 0.214168 ETOT(band)= -0.233438 trlgG= -0.292690 logG= -0.028138 TDE= -0.170942 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005465 tlogG= -0.023958 logG= -0.029424 Density= 0.323662 ETOT(band)= -0.350740 trlgG= -0.442623 logG= -0.029424 TDE= -0.171516 logGD-logG0= -0.001619 tlogG= -0.006873 logG= -0.008493 logGD-logG0= -0.005480 tlogG= -0.023899 logG= -0.029379 Density= 0.215645 ETOT(band)= -0.233814 trlgG= -0.294895 logG= -0.029379 TDE= -0.171468 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040847 ETOT(band)= -0.042683 trlgG= -0.052859 logG= -0.008493 TDE= -0.056473 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005286 tlogG= -0.023194 logG= -0.028480 Density= 0.214858 ETOT(band)= -0.233015 trlgG= -0.291568 logG= -0.028480 TDE= -0.170653 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005529 tlogG= -0.023685 logG= -0.029214 Density= 0.215405 ETOT(band)= -0.233667 trlgG= -0.294199 logG= -0.029214 TDE= -0.171291 logGD-logG0= -0.005553 tlogG= -0.023353 logG= -0.028906 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215101 ETOT(band)= -0.233412 trlgG= -0.293061 logG= -0.028906 TDE= -0.170997 logGD-logG0= -0.005194 tlogG= -0.023957 logG= -0.029152 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214332 ETOT(band)= -0.234156 trlgG= -0.294264 logG= -0.029152 TDE= -0.171098 logGD-logG0= -0.009193 tlogG= -0.048097 logG= -0.057290 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425489 ETOT(band)= -0.468485 trlgG= -0.587184 logG= -0.057290 TDE= -0.341848 logGD-logG0= -0.009873 tlogG= -0.047841 logG= -0.057714 Density= 0.428014 ETOT(band)= -0.468283 trlgG= -0.588553 logG= -0.057714 TDE= -0.342335 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010546 tlogG= -0.047957 logG= -0.058503 Density= 0.429192 ETOT(band)= -0.468349 trlgG= -0.588963 logG= -0.058503 TDE= -0.342221 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.021300 logG= -0.026321 Density= 0.162645 ETOT(band)= -0.173027 trlgG= -0.216168 logG= -0.026321 TDE= -0.169913 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010377 tlogG= -0.048149 logG= -0.058526 logGD-logG0= -0.009680 tlogG= -0.046714 logG= -0.056394 Density= 0.429289 ETOT(band)= -0.468387 trlgG= -0.589315 logG= -0.058526 TDE= -0.342380 Density= 0.427855 ETOT(band)= -0.466263 trlgG= -0.582553 logG= -0.056394 TDE= -0.341288 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010987 tlogG= -0.047695 logG= -0.058682 Density= 0.431090 ETOT(band)= -0.467579 trlgG= -0.589390 logG= -0.058682 TDE= -0.342845 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010721 tlogG= -0.048070 logG= -0.058791 Density= 0.430137 ETOT(band)= -0.468217 trlgG= -0.589753 logG= -0.058791 TDE= -0.342722 logGD-logG0= -0.010679 tlogG= -0.046415 logG= -0.057093 Density= 0.323992 ETOT(band)= -0.348972 trlgG= -0.438098 logG= -0.057093 TDE= -0.342148 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.048221 logG= -0.058732 logGD-logG0= -0.010889 tlogG= -0.047728 logG= -0.058617 Density= 0.430747 ETOT(band)= -0.467638 trlgG= -0.589033 logG= -0.058617 TDE= -0.342738 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430031 ETOT(band)= -0.468387 trlgG= -0.590082 logG= -0.058732 TDE= -0.342597 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009839 tlogG= -0.047769 logG= -0.057608 logGD-logG0= -0.009734 tlogG= -0.046608 logG= -0.056342 Density= 0.427145 ETOT(band)= -0.468051 trlgG= -0.586543 logG= -0.057608 TDE= -0.341568 Density= 0.428066 ETOT(band)= -0.466983 trlgG= -0.585159 logG= -0.056342 TDE= -0.341703 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010488 tlogG= -0.047669 logG= -0.058157 Density= 0.428271 ETOT(band)= -0.468264 trlgG= -0.587882 logG= -0.058157 TDE= -0.341976 logGD-logG0= -0.010049 tlogG= -0.047854 logG= -0.057903 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429121 ETOT(band)= -0.468053 trlgG= -0.588517 logG= -0.057903 TDE= -0.342320 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.046401 logG= -0.056564 Density= 0.429506 ETOT(band)= -0.465683 trlgG= -0.582217 logG= -0.056564 TDE= -0.341398 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010912 tlogG= -0.048020 logG= -0.058932 logGD-logG0= -0.010948 tlogG= -0.047267 logG= -0.058215 Density= 0.431333 ETOT(band)= -0.467861 trlgG= -0.590383 logG= -0.058932 TDE= -0.343110 Density= 0.430473 ETOT(band)= -0.467215 trlgG= -0.587562 logG= -0.058215 TDE= -0.342354 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010548 tlogG= -0.046930 logG= -0.057479 Density= 0.429863 ETOT(band)= -0.466594 trlgG= -0.584913 logG= -0.057479 TDE= -0.341689 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047560 logG= -0.057790 Density= 0.428586 ETOT(band)= -0.467608 trlgG= -0.586919 logG= -0.057790 TDE= -0.342020 logGD-logG0= -0.004949 tlogG= -0.022327 logG= -0.027276 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322853 ETOT(band)= -0.348075 trlgG= -0.434533 logG= -0.027276 TDE= -0.170282 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010473 tlogG= -0.047570 logG= -0.058043 Density= 0.429997 ETOT(band)= -0.467239 trlgG= -0.586843 logG= -0.058043 TDE= -0.342135 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009885 tlogG= -0.047650 logG= -0.057535 logGD-logG0= -0.010197 tlogG= -0.044621 logG= -0.054818 Density= 0.324274 ETOT(band)= -0.346762 trlgG= -0.432465 logG= -0.054818 TDE= -0.340844 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426638 ETOT(band)= -0.468504 trlgG= -0.587696 logG= -0.057535 TDE= -0.341867 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005468 logG= -0.006721 Density= 0.081197 ETOT(band)= -0.086376 trlgG= -0.107496 logG= -0.006721 TDE= -0.042580 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001731 tlogG= -0.007116 logG= -0.008848 Density= 0.072226 ETOT(band)= -0.076499 trlgG= -0.094953 logG= -0.008848 TDE= -0.056634 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004908 tlogG= -0.022327 logG= -0.027235 Density= 0.215013 ETOT(band)= -0.232016 trlgG= -0.289438 logG= -0.027235 TDE= -0.170288 logGD-logG0= -0.005062 tlogG= -0.022292 logG= -0.027355 Density= 0.214241 ETOT(band)= -0.232508 trlgG= -0.289795 logG= -0.027355 TDE= -0.170201 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010044 tlogG= -0.044625 logG= -0.054669 Density= 0.431583 ETOT(band)= -0.462204 trlgG= -0.575422 logG= -0.054669 TDE= -0.340483 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021204 logG= -0.026267 Density= 0.216335 ETOT(band)= -0.230098 trlgG= -0.285876 logG= -0.026267 TDE= -0.169833 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.904470377652 eV TrLogG= -407.748609727852 eV Ratio to renormalize= 1.000070174153 rho-rho_expected=-0.001543723040 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964709698920761 0.940525927724972 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001446 tlogG= -0.008044 logG= -0.009489 Density= 0.035307 ETOT(band)= -0.039086 trlgG= -0.049027 logG= -0.009489 TDE= -0.057010 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004444 tlogG= -0.024049 logG= -0.028493 Density= 0.106102 ETOT(band)= -0.117192 trlgG= -0.146954 logG= -0.028493 TDE= -0.170965 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004471 tlogG= -0.023972 logG= -0.028443 Density= 0.106154 ETOT(band)= -0.117148 trlgG= -0.146840 logG= -0.028443 TDE= -0.170928 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.022404 logG= -0.027537 Density= 0.107626 ETOT(band)= -0.115984 trlgG= -0.144599 logG= -0.027537 TDE= -0.170320 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001729 tlogG= -0.007304 logG= -0.009033 Density= 0.035840 ETOT(band)= -0.038583 trlgG= -0.047962 logG= -0.009033 TDE= -0.056664 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002462 tlogG= -0.010423 logG= -0.012885 Density= 0.054375 ETOT(band)= -0.057082 trlgG= -0.070770 logG= -0.012885 TDE= -0.084793 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005022 tlogG= -0.021559 logG= -0.026581 Density= 0.108508 ETOT(band)= -0.114898 trlgG= -0.142978 logG= -0.026581 TDE= -0.170092 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005188 tlogG= -0.021814 logG= -0.027002 Density= 0.107779 ETOT(band)= -0.115556 trlgG= -0.143722 logG= -0.027002 TDE= -0.170055 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002386 tlogG= -0.011882 logG= -0.014268 Density= 0.053557 ETOT(band)= -0.058412 trlgG= -0.073345 logG= -0.014268 TDE= -0.085579 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005858 logG= -0.001053 TDE= -0.007053 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002664 tlogG= -0.012030 logG= -0.014694 Density= 0.053761 ETOT(band)= -0.058543 trlgG= -0.073763 logG= -0.014694 TDE= -0.085672 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002482 tlogG= -0.012080 logG= -0.014562 Density= 0.053581 ETOT(band)= -0.058556 trlgG= -0.073707 logG= -0.014562 TDE= -0.085659 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001526 tlogG= -0.007810 logG= -0.009337 Density= 0.035487 ETOT(band)= -0.038934 trlgG= -0.048662 logG= -0.009337 TDE= -0.056886 logGD-logG0= -0.002393 tlogG= -0.011446 logG= -0.013839 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053732 ETOT(band)= -0.058081 trlgG= -0.072579 logG= -0.013839 TDE= -0.085330 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023760 logG= -0.029030 Density= 0.108175 ETOT(band)= -0.116558 trlgG= -0.146974 logG= -0.029030 TDE= -0.171474 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002619 tlogG= -0.011982 logG= -0.014601 Density= 0.054136 ETOT(band)= -0.058304 trlgG= -0.073624 logG= -0.014601 TDE= -0.085812 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.024043 logG= -0.028711 Density= 0.106375 ETOT(band)= -0.117178 trlgG= -0.146960 logG= -0.028711 TDE= -0.170889 logGD-logG0= -0.005074 tlogG= -0.022165 logG= -0.027239 Density= 0.108353 ETOT(band)= -0.115448 trlgG= -0.144108 logG= -0.027239 TDE= -0.170488 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.023203 logG= -0.027946 Density= 0.106723 ETOT(band)= -0.116646 trlgG= -0.145630 logG= -0.027946 TDE= -0.170496 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.022846 logG= -0.027830 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005257 tlogG= -0.023946 logG= -0.029204 Density= 0.108226 ETOT(band)= -0.116633 trlgG= -0.147252 logG= -0.029204 TDE= -0.171604 Density= 0.107740 ETOT(band)= -0.116112 trlgG= -0.145083 logG= -0.027830 TDE= -0.170568 logGD-logG0= -0.002688 tlogG= -0.011986 logG= -0.014674 Density= 0.053981 ETOT(band)= -0.058426 trlgG= -0.073746 logG= -0.014674 TDE= -0.085784 logGD-logG0= -0.005402 tlogG= -0.024067 logG= -0.029469 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107639 ETOT(band)= -0.117087 trlgG= -0.147671 logG= -0.029469 TDE= -0.171467 logGD-logG0= -0.005266 tlogG= -0.023426 logG= -0.028693 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108127 ETOT(band)= -0.116397 trlgG= -0.146439 logG= -0.028693 TDE= -0.171253 logGD-logG0= -0.005244 tlogG= -0.023868 logG= -0.029112 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108247 ETOT(band)= -0.116569 trlgG= -0.147103 logG= -0.029112 TDE= -0.171557 logGD-logG0= -0.005247 tlogG= -0.023601 logG= -0.028849 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108200 ETOT(band)= -0.116443 trlgG= -0.146682 logG= -0.028849 TDE= -0.171377 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023211 logG= -0.028429 logGD-logG0= -0.005121 tlogG= -0.023639 logG= -0.028760 Density= 0.106969 ETOT(band)= -0.116953 trlgG= -0.146455 logG= -0.028760 TDE= -0.170629 Density= 0.108190 ETOT(band)= -0.116220 trlgG= -0.146019 logG= -0.028429 TDE= -0.171129 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023685 logG= -0.028637 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004829 tlogG= -0.022987 logG= -0.027816 Density= 0.106859 ETOT(band)= -0.116514 trlgG= -0.145366 logG= -0.027816 TDE= -0.170429 Density= 0.107371 ETOT(band)= -0.116743 trlgG= -0.146553 logG= -0.028637 TDE= -0.171049 logGD-logG0= -0.005152 tlogG= -0.022729 logG= -0.027882 Density= 0.108244 ETOT(band)= -0.115891 trlgG= -0.145152 logG= -0.027882 TDE= -0.170835 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023680 logG= -0.029090 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023666 logG= -0.028468 Density= 0.106585 ETOT(band)= -0.116984 trlgG= -0.146544 logG= -0.028468 TDE= -0.170820 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.024089 logG= -0.029206 logGD-logG0= -0.005233 tlogG= -0.022871 logG= -0.028104 Density= 0.107609 ETOT(band)= -0.116317 trlgG= -0.145495 logG= -0.028104 TDE= -0.170642 Density= 0.107225 ETOT(band)= -0.117023 trlgG= -0.147004 logG= -0.029090 TDE= -0.170975 logGD-logG0= -0.005434 tlogG= -0.023898 logG= -0.029332 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107748 ETOT(band)= -0.116953 trlgG= -0.147455 logG= -0.029332 TDE= -0.171442 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107374 ETOT(band)= -0.117053 trlgG= -0.147294 logG= -0.029206 TDE= -0.171222 logGD-logG0= -0.005443 tlogG= -0.024130 logG= -0.029573 logGD-logG0= -0.005410 tlogG= -0.024084 logG= -0.029494 Density= 0.107885 ETOT(band)= -0.116994 trlgG= -0.147734 logG= -0.029494 TDE= -0.171627 Density= 0.107808 ETOT(band)= -0.117082 trlgG= -0.147860 logG= -0.029573 TDE= -0.171635 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.024066 logG= -0.029070 logGD-logG0= -0.004856 tlogG= -0.023497 logG= -0.028353 logGD-logG0= -0.005027 tlogG= -0.023889 logG= -0.028917 Density= 0.106747 ETOT(band)= -0.117137 trlgG= -0.147070 logG= -0.028917 TDE= -0.170977 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107048 ETOT(band)= -0.117117 trlgG= -0.147323 logG= -0.029070 TDE= -0.171226 logGD-logG0= -0.004831 tlogG= -0.023684 logG= -0.028514 Density= 0.106966 ETOT(band)= -0.116865 trlgG= -0.146647 logG= -0.028514 TDE= -0.171064 Density= 0.106762 ETOT(band)= -0.116836 trlgG= -0.146113 logG= -0.028353 TDE= -0.170591 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005424 tlogG= -0.023191 logG= -0.028616 logGD-logG0= -0.005352 tlogG= -0.023964 logG= -0.029315 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107677 ETOT(band)= -0.116564 trlgG= -0.146304 logG= -0.028616 TDE= -0.170973 Density= 0.107439 ETOT(band)= -0.117074 trlgG= -0.147398 logG= -0.029315 TDE= -0.171249 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023867 logG= -0.029262 logGD-logG0= -0.005384 tlogG= -0.024055 logG= -0.029440 logGD-logG0= -0.004861 tlogG= -0.022849 logG= -0.027710 Density= 0.107912 ETOT(band)= -0.116820 trlgG= -0.147347 logG= -0.029262 TDE= -0.171486 Density= 0.107944 ETOT(band)= -0.116927 trlgG= -0.147644 logG= -0.029440 TDE= -0.171621 Density= 0.107287 ETOT(band)= -0.116259 trlgG= -0.145212 logG= -0.027710 TDE= -0.170593 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.023576 logG= -0.029009 Density= 0.107796 ETOT(band)= -0.116725 trlgG= -0.146933 logG= -0.029009 TDE= -0.171267 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009712 tlogG= -0.045754 logG= -0.055466 Density= 0.215000 ETOT(band)= -0.232350 trlgG= -0.290323 logG= -0.055466 TDE= -0.341250 logGD-logG0= -0.010030 tlogG= -0.048238 logG= -0.058268 logGD-logG0= -0.010176 tlogG= -0.047895 logG= -0.058070 Density= 0.213953 ETOT(band)= -0.234230 trlgG= -0.294409 logG= -0.058070 TDE= -0.342213 Density= 0.214389 ETOT(band)= -0.234190 trlgG= -0.294718 logG= -0.058268 TDE= -0.342541 logGD-logG0= -0.009992 tlogG= -0.045584 logG= -0.055576 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214342 ETOT(band)= -0.232703 trlgG= -0.290504 logG= -0.055576 TDE= -0.340995 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009353 tlogG= -0.047627 logG= -0.056980 logGD-logG0= -0.010751 tlogG= -0.047741 logG= -0.058492 logGD-logG0= -0.010706 tlogG= -0.048075 logG= -0.058781 Density= 0.215063 ETOT(band)= -0.234164 trlgG= -0.295060 logG= -0.058781 TDE= -0.342703 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214747 ETOT(band)= -0.234112 trlgG= -0.294551 logG= -0.058492 TDE= -0.342327 Density= 0.212900 ETOT(band)= -0.234092 trlgG= -0.293223 logG= -0.056980 TDE= -0.341596 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010056 tlogG= -0.047149 logG= -0.057205 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047925 logG= -0.057709 Density= 0.213252 ETOT(band)= -0.234298 trlgG= -0.293865 logG= -0.057709 TDE= -0.341683 Density= 0.213759 ETOT(band)= -0.233832 trlgG= -0.292937 logG= -0.057205 TDE= -0.341511 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009667 tlogG= -0.047442 logG= -0.057109 Density= 0.214294 ETOT(band)= -0.233617 trlgG= -0.293274 logG= -0.057109 TDE= -0.342208 logGD-logG0= -0.010417 tlogG= -0.047654 logG= -0.058071 Density= 0.213934 ETOT(band)= -0.234217 trlgG= -0.294161 logG= -0.058071 TDE= -0.341955 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010097 tlogG= -0.045643 logG= -0.055740 Density= 0.215134 ETOT(band)= -0.232424 trlgG= -0.290313 logG= -0.055740 TDE= -0.341033 logGD-logG0= -0.010555 tlogG= -0.047973 logG= -0.058528 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.048023 logG= -0.058322 Density= 0.214520 ETOT(band)= -0.234136 trlgG= -0.294466 logG= -0.058322 TDE= -0.342299 Density= 0.215066 ETOT(band)= -0.234019 trlgG= -0.294644 logG= -0.058528 TDE= -0.342541 logGD-logG0= -0.010788 tlogG= -0.048008 logG= -0.058796 Density= 0.215100 ETOT(band)= -0.234155 trlgG= -0.295087 logG= -0.058796 TDE= -0.342733 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010841 tlogG= -0.047522 logG= -0.058363 logGD-logG0= -0.010851 tlogG= -0.046871 logG= -0.057722 Density= 0.215421 ETOT(band)= -0.233374 trlgG= -0.293388 logG= -0.057722 TDE= -0.342266 Density= 0.215695 ETOT(band)= -0.233608 trlgG= -0.294427 logG= -0.058363 TDE= -0.342800 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010616 tlogG= -0.047781 logG= -0.058396 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001663 tlogG= -0.006990 logG= -0.008653 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036194 ETOT(band)= -0.038133 trlgG= -0.047299 logG= -0.008653 TDE= -0.056556 Density= 0.214646 ETOT(band)= -0.234106 trlgG= -0.294382 logG= -0.058396 TDE= -0.342203 logGD-logG0= -0.010412 tlogG= -0.046405 logG= -0.056817 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215204 ETOT(band)= -0.232985 trlgG= -0.291946 logG= -0.056817 TDE= -0.341623 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010901 tlogG= -0.048139 logG= -0.059040 Density= 0.215418 ETOT(band)= -0.234179 trlgG= -0.295523 logG= -0.059040 TDE= -0.343083 logGD-logG0= -0.010643 tlogG= -0.047302 logG= -0.057945 Density= 0.214248 ETOT(band)= -0.234008 trlgG= -0.293635 logG= -0.057945 TDE= -0.341710 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010809 tlogG= -0.047414 logG= -0.058223 Density= 0.215461 ETOT(band)= -0.233650 trlgG= -0.294189 logG= -0.058223 TDE= -0.342586 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010766 tlogG= -0.047935 logG= -0.058701 logGD-logG0= -0.010821 tlogG= -0.047884 logG= -0.058705 Density= 0.215892 ETOT(band)= -0.233724 trlgG= -0.294989 logG= -0.058701 TDE= -0.343121 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215763 ETOT(band)= -0.233797 trlgG= -0.294992 logG= -0.058705 TDE= -0.343057 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010022 tlogG= -0.047218 logG= -0.057241 Density= 0.214462 ETOT(band)= -0.233576 trlgG= -0.293045 logG= -0.057241 TDE= -0.341931 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002522 tlogG= -0.010839 logG= -0.013361 Density= 0.054059 ETOT(band)= -0.057600 trlgG= -0.071618 logG= -0.013361 TDE= -0.085008 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010324 tlogG= -0.047145 logG= -0.057469 Density= 0.215141 ETOT(band)= -0.233386 trlgG= -0.292964 logG= -0.057469 TDE= -0.341957 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.021870 logG= -0.026978 Density= 0.108317 ETOT(band)= -0.115265 trlgG= -0.143658 logG= -0.026978 TDE= -0.170281 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009895 tlogG= -0.047154 logG= -0.057049 Density= 0.213746 ETOT(band)= -0.233788 trlgG= -0.293146 logG= -0.057049 TDE= -0.341870 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.020984 logG= -0.025924 Density= 0.108704 ETOT(band)= -0.114310 trlgG= -0.141820 logG= -0.025924 TDE= -0.169688 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005128 tlogG= -0.021691 logG= -0.026819 Density= 0.107923 ETOT(band)= -0.115363 trlgG= -0.143412 logG= -0.026819 TDE= -0.169999 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010250 tlogG= -0.043382 logG= -0.053632 Density= 0.216262 ETOT(band)= -0.230513 trlgG= -0.286798 logG= -0.053632 TDE= -0.340184 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004418 tlogG= -0.024129 logG= -0.028547 Density= 0.212141 ETOT(band)= -0.234435 trlgG= -0.294032 logG= -0.028547 TDE= -0.171004 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005170 logG= -0.006385 Density= 0.062534 ETOT(band)= -0.067560 trlgG= -0.084304 logG= -0.006385 TDE= -0.042365 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005225 tlogG= -0.022978 logG= -0.028203 Density= 0.108130 ETOT(band)= -0.116127 trlgG= -0.145664 logG= -0.028203 TDE= -0.170970 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.022902 logG= -0.027986 Density= 0.214779 ETOT(band)= -0.232448 trlgG= -0.290016 logG= -0.027986 TDE= -0.170456 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001610 tlogG= -0.007588 logG= -0.009198 Density= 0.071489 ETOT(band)= -0.077365 trlgG= -0.096265 logG= -0.009198 TDE= -0.056746 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022452 logG= -0.027609 Density= 0.108197 ETOT(band)= -0.115755 trlgG= -0.144717 logG= -0.027609 TDE= -0.170649 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004605 tlogG= -0.023584 logG= -0.028189 Density= 0.212590 ETOT(band)= -0.234052 trlgG= -0.293080 logG= -0.028189 TDE= -0.170721 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005306 logG= -0.006540 Density= 0.081554 ETOT(band)= -0.085702 trlgG= -0.106327 logG= -0.006540 TDE= -0.042467 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005195 tlogG= -0.021875 logG= -0.027070 Density= 0.216614 ETOT(band)= -0.230330 trlgG= -0.286801 logG= -0.027070 TDE= -0.170250 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.022471 logG= -0.027502 Density= 0.215003 ETOT(band)= -0.231713 trlgG= -0.288370 logG= -0.027502 TDE= -0.170205 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001287 tlogG= -0.005747 logG= -0.007034 Density= 0.080631 ETOT(band)= -0.087414 trlgG= -0.109734 logG= -0.007034 TDE= -0.042752 logGD-logG0= -0.001472 tlogG= -0.007965 logG= -0.009437 Density= 0.070856 ETOT(band)= -0.077969 trlgG= -0.097567 logG= -0.009437 TDE= -0.056971 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005938 logG= -0.007244 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080829 ETOT(band)= -0.087663 trlgG= -0.110484 logG= -0.007244 TDE= -0.042872 logGD-logG0= -0.001302 tlogG= -0.005854 logG= -0.007156 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080644 ETOT(band)= -0.087629 trlgG= -0.110288 logG= -0.007156 TDE= -0.042818 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023738 logG= -0.028288 Density= 0.213060 ETOT(band)= -0.233642 trlgG= -0.292102 logG= -0.028288 TDE= -0.170806 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006872 logG= -0.008492 logGD-logG0= -0.004721 tlogG= -0.023887 logG= -0.028608 Density= 0.213259 ETOT(band)= -0.233915 trlgG= -0.292830 logG= -0.028608 TDE= -0.170809 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040846 ETOT(band)= -0.042681 trlgG= -0.052856 logG= -0.008492 TDE= -0.056470 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001305 tlogG= -0.005983 logG= -0.007287 Density= 0.081059 ETOT(band)= -0.087565 trlgG= -0.110536 logG= -0.007287 TDE= -0.042902 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005618 logG= -0.006885 Density= 0.080832 ETOT(band)= -0.086985 trlgG= -0.108730 logG= -0.006885 TDE= -0.042676 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.023998 logG= -0.029338 Density= 0.215681 ETOT(band)= -0.233898 trlgG= -0.295147 logG= -0.029338 TDE= -0.171602 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.023796 logG= -0.029170 Density= 0.215327 ETOT(band)= -0.233805 trlgG= -0.294493 logG= -0.029170 TDE= -0.171450 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005369 tlogG= -0.023478 logG= -0.028847 Density= 0.215204 ETOT(band)= -0.233372 trlgG= -0.293231 logG= -0.028847 TDE= -0.171193 logGD-logG0= -0.001732 tlogG= -0.007115 logG= -0.008847 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072225 ETOT(band)= -0.076494 trlgG= -0.094947 logG= -0.008847 TDE= -0.056631 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005303 tlogG= -0.023996 logG= -0.029299 Density= 0.216352 ETOT(band)= -0.233378 trlgG= -0.294665 logG= -0.029299 TDE= -0.171620 logGD-logG0= -0.005063 tlogG= -0.022289 logG= -0.027352 Density= 0.214238 ETOT(band)= -0.232493 trlgG= -0.289774 logG= -0.027352 TDE= -0.170192 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005192 tlogG= -0.023841 logG= -0.029033 Density= 0.215489 ETOT(band)= -0.233800 trlgG= -0.294597 logG= -0.029033 TDE= -0.171138 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.024159 logG= -0.029320 logGD-logG0= -0.010636 tlogG= -0.047779 logG= -0.058415 Density= 0.324344 ETOT(band)= -0.349972 trlgG= -0.441497 logG= -0.058415 TDE= -0.343079 Density= 0.322428 ETOT(band)= -0.351287 trlgG= -0.442507 logG= -0.029320 TDE= -0.171256 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024003 logG= -0.028892 logGD-logG0= -0.004696 tlogG= -0.023970 logG= -0.028665 Density= 0.212784 ETOT(band)= -0.234327 trlgG= -0.293827 logG= -0.028665 TDE= -0.170857 Density= 0.321546 ETOT(band)= -0.351179 trlgG= -0.441834 logG= -0.028892 TDE= -0.171251 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.022435 logG= -0.027670 Density= 0.216359 ETOT(band)= -0.231327 trlgG= -0.288921 logG= -0.027670 TDE= -0.170590 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.024119 logG= -0.029553 Density= 0.215715 ETOT(band)= -0.234053 trlgG= -0.295563 logG= -0.029553 TDE= -0.171635 logGD-logG0= -0.005296 tlogG= -0.023953 logG= -0.029249 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216385 ETOT(band)= -0.233274 trlgG= -0.294432 logG= -0.029249 TDE= -0.171593 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.023411 logG= -0.028735 logGD-logG0= -0.005035 tlogG= -0.023879 logG= -0.028914 Density= 0.213771 ETOT(band)= -0.234059 trlgG= -0.293337 logG= -0.028914 TDE= -0.170818 Density= 0.216191 ETOT(band)= -0.232697 trlgG= -0.292522 logG= -0.028735 TDE= -0.171213 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.022964 logG= -0.028260 Density= 0.216216 ETOT(band)= -0.232124 trlgG= -0.290907 logG= -0.028260 TDE= -0.170925 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.023364 logG= -0.028164 logGD-logG0= -0.005316 tlogG= -0.023758 logG= -0.029075 Density= 0.321610 ETOT(band)= -0.350133 trlgG= -0.439258 logG= -0.028164 TDE= -0.170925 Density= 0.216274 ETOT(band)= -0.233076 trlgG= -0.293729 logG= -0.029075 TDE= -0.171452 logGD-logG0= -0.005146 tlogG= -0.023240 logG= -0.028386 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321682 ETOT(band)= -0.350637 trlgG= -0.440107 logG= -0.028386 TDE= -0.170879 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.021346 logG= -0.026451 Density= 0.217007 ETOT(band)= -0.229221 trlgG= -0.284594 logG= -0.026451 TDE= -0.169917 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005367 tlogG= -0.024080 logG= -0.029447 Density= 0.323054 ETOT(band)= -0.351256 trlgG= -0.443156 logG= -0.029447 TDE= -0.171449 logGD-logG0= -0.004899 tlogG= -0.023242 logG= -0.028141 Density= 0.213475 ETOT(band)= -0.233668 trlgG= -0.292560 logG= -0.028141 TDE= -0.170770 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010925 tlogG= -0.048033 logG= -0.058958 Density= 0.323239 ETOT(band)= -0.351047 trlgG= -0.442851 logG= -0.058958 TDE= -0.343073 logGD-logG0= -0.005482 tlogG= -0.023895 logG= -0.029377 Density= 0.215640 ETOT(band)= -0.233800 trlgG= -0.294874 logG= -0.029377 TDE= -0.171459 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004857 tlogG= -0.024004 logG= -0.028861 Density= 0.214105 ETOT(band)= -0.234135 trlgG= -0.294462 logG= -0.028861 TDE= -0.171256 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009915 tlogG= -0.046598 logG= -0.056514 Density= 0.322684 ETOT(band)= -0.349083 trlgG= -0.436891 logG= -0.056514 TDE= -0.341659 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023834 logG= -0.028786 Density= 0.213554 ETOT(band)= -0.234199 trlgG= -0.294076 logG= -0.028786 TDE= -0.171074 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023191 logG= -0.028478 Density= 0.214853 ETOT(band)= -0.233001 trlgG= -0.291546 logG= -0.028478 TDE= -0.170643 logGD-logG0= -0.005530 tlogG= -0.023681 logG= -0.029211 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215401 ETOT(band)= -0.233653 trlgG= -0.294177 logG= -0.029211 TDE= -0.171281 logGD-logG0= -0.005064 tlogG= -0.021201 logG= -0.026265 logGD-logG0= -0.010683 tlogG= -0.047228 logG= -0.057911 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216330 ETOT(band)= -0.230084 trlgG= -0.285855 logG= -0.026265 TDE= -0.169824 Density= 0.324124 ETOT(band)= -0.349606 trlgG= -0.440151 logG= -0.057911 TDE= -0.342687 logGD-logG0= -0.009875 tlogG= -0.047834 logG= -0.057709 Density= 0.428005 ETOT(band)= -0.468254 trlgG= -0.588510 logG= -0.057709 TDE= -0.342316 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023954 logG= -0.029149 logGD-logG0= -0.009681 tlogG= -0.046708 logG= -0.056389 Density= 0.214328 ETOT(band)= -0.234141 trlgG= -0.294242 logG= -0.029149 TDE= -0.171088 Density= 0.427848 ETOT(band)= -0.466234 trlgG= -0.582509 logG= -0.056389 TDE= -0.341270 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005553 tlogG= -0.023350 logG= -0.028903 Density= 0.215097 ETOT(band)= -0.233398 trlgG= -0.293039 logG= -0.028903 TDE= -0.170988 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.023368 logG= -0.028136 Density= 0.214164 ETOT(band)= -0.233423 trlgG= -0.292668 logG= -0.028136 TDE= -0.170933 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010378 tlogG= -0.048142 logG= -0.058521 Density= 0.429280 ETOT(band)= -0.468358 trlgG= -0.589272 logG= -0.058521 TDE= -0.342362 logGD-logG0= -0.009194 tlogG= -0.048091 logG= -0.057285 Density= 0.425482 ETOT(band)= -0.468455 trlgG= -0.587141 logG= -0.057285 TDE= -0.341830 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023954 logG= -0.029421 Density= 0.323654 ETOT(band)= -0.350719 trlgG= -0.442591 logG= -0.029421 TDE= -0.171507 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010990 tlogG= -0.047687 logG= -0.058677 logGD-logG0= -0.005135 tlogG= -0.024154 logG= -0.029289 Density= 0.431080 ETOT(band)= -0.467551 trlgG= -0.589347 logG= -0.058677 TDE= -0.342826 Density= 0.214731 ETOT(band)= -0.234212 trlgG= -0.294855 logG= -0.029289 TDE= -0.171261 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010890 tlogG= -0.047721 logG= -0.058612 Density= 0.430737 ETOT(band)= -0.467609 trlgG= -0.588990 logG= -0.058612 TDE= -0.342719 logGD-logG0= -0.010490 tlogG= -0.047662 logG= -0.058152 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009885 tlogG= -0.047644 logG= -0.057529 Density= 0.426631 ETOT(band)= -0.468474 trlgG= -0.587652 logG= -0.057529 TDE= -0.341848 Density= 0.428263 ETOT(band)= -0.468234 trlgG= -0.587839 logG= -0.058152 TDE= -0.341957 logGD-logG0= -0.010512 tlogG= -0.048215 logG= -0.058726 Density= 0.430021 ETOT(band)= -0.468359 trlgG= -0.590038 logG= -0.058726 TDE= -0.342578 logGD-logG0= -0.005023 tlogG= -0.021296 logG= -0.026319 Density= 0.162642 ETOT(band)= -0.173017 trlgG= -0.216152 logG= -0.026319 TDE= -0.169904 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010051 tlogG= -0.047847 logG= -0.057898 Density= 0.429112 ETOT(band)= -0.468024 trlgG= -0.588475 logG= -0.057898 TDE= -0.342302 logGD-logG0= -0.009839 tlogG= -0.047763 logG= -0.057602 Density= 0.427137 ETOT(band)= -0.468021 trlgG= -0.586499 logG= -0.057602 TDE= -0.341550 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010547 tlogG= -0.047950 logG= -0.058498 Density= 0.429183 ETOT(band)= -0.468320 trlgG= -0.588919 logG= -0.058498 TDE= -0.342203 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.048064 logG= -0.058786 Density= 0.430128 ETOT(band)= -0.468189 trlgG= -0.589709 logG= -0.058786 TDE= -0.342703 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010550 tlogG= -0.046923 logG= -0.057473 logGD-logG0= -0.010915 tlogG= -0.048012 logG= -0.058927 Density= 0.429855 ETOT(band)= -0.466565 trlgG= -0.584869 logG= -0.057473 TDE= -0.341670 Density= 0.431323 ETOT(band)= -0.467833 trlgG= -0.590340 logG= -0.058927 TDE= -0.343091 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.046394 logG= -0.056559 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429498 ETOT(band)= -0.465654 trlgG= -0.582174 logG= -0.056559 TDE= -0.341380 logGD-logG0= -0.010949 tlogG= -0.047261 logG= -0.058209 Density= 0.430463 ETOT(band)= -0.467187 trlgG= -0.587519 logG= -0.058209 TDE= -0.342335 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010232 tlogG= -0.047553 logG= -0.057785 Density= 0.428577 ETOT(band)= -0.467579 trlgG= -0.586876 logG= -0.057785 TDE= -0.342001 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.047563 logG= -0.058037 Density= 0.429988 ETOT(band)= -0.467210 trlgG= -0.586799 logG= -0.058037 TDE= -0.342116 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.022324 logG= -0.027273 Density= 0.322847 ETOT(band)= -0.348053 trlgG= -0.434501 logG= -0.027273 TDE= -0.170273 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009735 tlogG= -0.046601 logG= -0.056337 Density= 0.428058 ETOT(band)= -0.466953 trlgG= -0.585116 logG= -0.056337 TDE= -0.341685 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.044614 logG= -0.054813 Density= 0.324267 ETOT(band)= -0.346741 trlgG= -0.432434 logG= -0.054813 TDE= -0.340826 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005467 logG= -0.006720 Density= 0.081195 ETOT(band)= -0.086371 trlgG= -0.107488 logG= -0.006720 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.022323 logG= -0.027233 Density= 0.215009 ETOT(band)= -0.232002 trlgG= -0.289417 logG= -0.027233 TDE= -0.170279 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010682 tlogG= -0.046407 logG= -0.057088 Density= 0.323985 ETOT(band)= -0.348951 trlgG= -0.438066 logG= -0.057088 TDE= -0.342129 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.045621 logG= -0.056030 Density= 0.324028 ETOT(band)= -0.348010 trlgG= -0.435447 logG= -0.056030 TDE= -0.341504 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010046 tlogG= -0.044618 logG= -0.054664 Density= 0.431574 ETOT(band)= -0.462176 trlgG= -0.575380 logG= -0.054664 TDE= -0.340465 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.884403821383 eV TrLogG= -407.715693548709 eV Ratio to renormalize= 1.000090749706 rho-rho_expected=-0.001996312361 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964726678926148 0.940558798834741 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001446 tlogG= -0.008045 logG= -0.009490 Density= 0.035308 ETOT(band)= -0.039088 trlgG= -0.049031 logG= -0.009490 TDE= -0.057013 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004443 tlogG= -0.024052 logG= -0.028496 Density= 0.106103 ETOT(band)= -0.117200 trlgG= -0.146965 logG= -0.028496 TDE= -0.170974 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022408 logG= -0.027539 Density= 0.107628 ETOT(band)= -0.115991 trlgG= -0.144609 logG= -0.027539 TDE= -0.170329 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001663 tlogG= -0.006991 logG= -0.008654 Density= 0.036194 ETOT(band)= -0.038135 trlgG= -0.047302 logG= -0.008654 TDE= -0.056559 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002461 tlogG= -0.010425 logG= -0.012886 Density= 0.054376 ETOT(band)= -0.057085 trlgG= -0.070775 logG= -0.012886 TDE= -0.084797 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005021 tlogG= -0.021563 logG= -0.026583 Density= 0.108510 ETOT(band)= -0.114904 trlgG= -0.142987 logG= -0.026583 TDE= -0.170100 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.020987 logG= -0.025926 Density= 0.108706 ETOT(band)= -0.114316 trlgG= -0.141830 logG= -0.025926 TDE= -0.169696 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005187 tlogG= -0.021818 logG= -0.027004 Density= 0.107781 ETOT(band)= -0.115563 trlgG= -0.143733 logG= -0.027004 TDE= -0.170064 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002663 tlogG= -0.012032 logG= -0.014695 Density= 0.053762 ETOT(band)= -0.058547 trlgG= -0.073768 logG= -0.014695 TDE= -0.085677 logGD-logG0= -0.002481 tlogG= -0.012082 logG= -0.014563 Density= 0.053582 ETOT(band)= -0.058559 trlgG= -0.073712 logG= -0.014563 TDE= -0.085663 logGD-logG0= -0.002386 tlogG= -0.011884 logG= -0.014269 Density= 0.053558 ETOT(band)= -0.058416 trlgG= -0.073350 logG= -0.014269 TDE= -0.085584 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002392 tlogG= -0.011448 logG= -0.013840 Density= 0.053733 ETOT(band)= -0.058085 trlgG= -0.072585 logG= -0.013840 TDE= -0.085334 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.022456 logG= -0.027612 Density= 0.108200 ETOT(band)= -0.115761 trlgG= -0.144727 logG= -0.027612 TDE= -0.170658 logGD-logG0= -0.001526 tlogG= -0.007812 logG= -0.009337 Density= 0.035488 ETOT(band)= -0.038936 trlgG= -0.048665 logG= -0.009337 TDE= -0.056889 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002618 tlogG= -0.011984 logG= -0.014602 Density= 0.054138 ETOT(band)= -0.058308 trlgG= -0.073629 logG= -0.014602 TDE= -0.085817 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023764 logG= -0.029033 Density= 0.108178 ETOT(band)= -0.116565 trlgG= -0.146984 logG= -0.029033 TDE= -0.171483 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005401 tlogG= -0.024071 logG= -0.029472 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107641 ETOT(band)= -0.117094 trlgG= -0.147682 logG= -0.029472 TDE= -0.171476 logGD-logG0= -0.005265 tlogG= -0.023430 logG= -0.028695 Density= 0.108130 ETOT(band)= -0.116404 trlgG= -0.146449 logG= -0.028695 TDE= -0.171262 logGD-logG0= -0.004668 tlogG= -0.024046 logG= -0.028714 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106377 ETOT(band)= -0.117186 trlgG= -0.146971 logG= -0.028714 TDE= -0.170898 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023206 logG= -0.027948 logGD-logG0= -0.004470 tlogG= -0.023975 logG= -0.028445 Density= 0.106155 ETOT(band)= -0.117156 trlgG= -0.146851 logG= -0.028445 TDE= -0.170936 logGD-logG0= -0.005073 tlogG= -0.022168 logG= -0.027241 logGD-logG0= -0.005223 tlogG= -0.022982 logG= -0.028205 Density= 0.108356 ETOT(band)= -0.115455 trlgG= -0.144118 logG= -0.027241 TDE= -0.170497 Density= 0.108133 ETOT(band)= -0.116134 trlgG= -0.145674 logG= -0.028205 TDE= -0.170979 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023950 logG= -0.029206 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.022849 logG= -0.027833 Density= 0.107742 ETOT(band)= -0.116119 trlgG= -0.145093 logG= -0.027833 TDE= -0.170577 logGD-logG0= -0.005408 tlogG= -0.023684 logG= -0.029092 Density= 0.107227 ETOT(band)= -0.117030 trlgG= -0.147015 logG= -0.029092 TDE= -0.170984 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108229 ETOT(band)= -0.116640 trlgG= -0.147262 logG= -0.029206 TDE= -0.171613 Density= 0.106725 ETOT(band)= -0.116653 trlgG= -0.145640 logG= -0.027948 TDE= -0.170505 logGD-logG0= -0.005243 tlogG= -0.023872 logG= -0.029114 logGD-logG0= -0.005246 tlogG= -0.023605 logG= -0.028851 Density= 0.108203 ETOT(band)= -0.116450 trlgG= -0.146693 logG= -0.028851 TDE= -0.171386 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002687 tlogG= -0.011988 logG= -0.014675 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053983 ETOT(band)= -0.058429 trlgG= -0.073751 logG= -0.014675 TDE= -0.085789 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.024088 logG= -0.029496 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107888 ETOT(band)= -0.117001 trlgG= -0.147744 logG= -0.029496 TDE= -0.171636 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.022733 logG= -0.027884 Density= 0.108249 ETOT(band)= -0.116575 trlgG= -0.147113 logG= -0.029114 TDE= -0.171566 Density= 0.108246 ETOT(band)= -0.115897 trlgG= -0.145163 logG= -0.027884 TDE= -0.170844 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.023642 logG= -0.028763 Density= 0.106971 ETOT(band)= -0.116960 trlgG= -0.146466 logG= -0.028763 TDE= -0.170638 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.023967 logG= -0.029318 logGD-logG0= -0.005216 tlogG= -0.023215 logG= -0.028431 Density= 0.107441 ETOT(band)= -0.117081 trlgG= -0.147409 logG= -0.029318 TDE= -0.171259 Density= 0.108193 ETOT(band)= -0.116227 trlgG= -0.146030 logG= -0.028431 TDE= -0.171138 logGD-logG0= -0.005027 tlogG= -0.023892 logG= -0.028919 logGD-logG0= -0.005434 tlogG= -0.023901 logG= -0.029335 Density= 0.106749 ETOT(band)= -0.117144 trlgG= -0.147081 logG= -0.028919 TDE= -0.170986 logGD-logG0= -0.004951 tlogG= -0.023688 logG= -0.028640 Density= 0.107373 ETOT(band)= -0.116751 trlgG= -0.146563 logG= -0.028640 TDE= -0.171057 Density= 0.107751 ETOT(band)= -0.116960 trlgG= -0.147466 logG= -0.029335 TDE= -0.171451 logGD-logG0= -0.004828 tlogG= -0.022990 logG= -0.027818 Density= 0.106861 ETOT(band)= -0.116522 trlgG= -0.145376 logG= -0.027818 TDE= -0.170438 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.022874 logG= -0.028106 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107611 ETOT(band)= -0.116324 trlgG= -0.145506 logG= -0.028106 TDE= -0.170651 logGD-logG0= -0.004830 tlogG= -0.023687 logG= -0.028517 Density= 0.106968 ETOT(band)= -0.116872 trlgG= -0.146657 logG= -0.028517 TDE= -0.171073 logGD-logG0= -0.004802 tlogG= -0.023669 logG= -0.028470 logGD-logG0= -0.005003 tlogG= -0.024070 logG= -0.029072 logGD-logG0= -0.005424 tlogG= -0.023195 logG= -0.028618 Density= 0.107680 ETOT(band)= -0.116571 trlgG= -0.146315 logG= -0.028618 TDE= -0.170982 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106587 ETOT(band)= -0.116991 trlgG= -0.146555 logG= -0.028470 TDE= -0.170829 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107051 ETOT(band)= -0.117124 trlgG= -0.147333 logG= -0.029072 TDE= -0.171235 logGD-logG0= -0.005116 tlogG= -0.024093 logG= -0.029208 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.024134 logG= -0.029576 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107376 ETOT(band)= -0.117061 trlgG= -0.147305 logG= -0.029208 TDE= -0.171231 Density= 0.107811 ETOT(band)= -0.117089 trlgG= -0.147870 logG= -0.029576 TDE= -0.171645 logGD-logG0= -0.004856 tlogG= -0.023500 logG= -0.028356 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106764 ETOT(band)= -0.116843 trlgG= -0.146124 logG= -0.028356 TDE= -0.170600 logGD-logG0= -0.005383 tlogG= -0.024059 logG= -0.029442 Density= 0.107947 ETOT(band)= -0.116933 trlgG= -0.147655 logG= -0.029442 TDE= -0.171630 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.022852 logG= -0.027712 Density= 0.107288 ETOT(band)= -0.116266 trlgG= -0.145222 logG= -0.027712 TDE= -0.170602 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010028 tlogG= -0.048245 logG= -0.058273 Density= 0.214393 ETOT(band)= -0.234205 trlgG= -0.294739 logG= -0.058273 TDE= -0.342559 logGD-logG0= -0.005431 tlogG= -0.023580 logG= -0.029012 logGD-logG0= -0.005394 tlogG= -0.023871 logG= -0.029264 Density= 0.107798 ETOT(band)= -0.116732 trlgG= -0.146943 logG= -0.029012 TDE= -0.171276 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107915 ETOT(band)= -0.116827 trlgG= -0.147358 logG= -0.029264 TDE= -0.171495 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009893 tlogG= -0.047161 logG= -0.057054 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213750 ETOT(band)= -0.233803 trlgG= -0.293168 logG= -0.057054 TDE= -0.341888 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.045761 logG= -0.055471 Density= 0.215004 ETOT(band)= -0.232364 trlgG= -0.290344 logG= -0.055471 TDE= -0.341268 logGD-logG0= -0.010174 tlogG= -0.047902 logG= -0.058076 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213958 ETOT(band)= -0.234245 trlgG= -0.294430 logG= -0.058076 TDE= -0.342231 logGD-logG0= -0.010056 tlogG= -0.047154 logG= -0.057210 logGD-logG0= -0.009353 tlogG= -0.047633 logG= -0.056985 Density= 0.212903 ETOT(band)= -0.234107 trlgG= -0.293244 logG= -0.056985 TDE= -0.341614 logGD-logG0= -0.010749 tlogG= -0.047747 logG= -0.058497 logGD-logG0= -0.009665 tlogG= -0.047449 logG= -0.057114 Density= 0.214298 ETOT(band)= -0.233631 trlgG= -0.293295 logG= -0.057114 TDE= -0.342226 Density= 0.213762 ETOT(band)= -0.233846 trlgG= -0.292959 logG= -0.057210 TDE= -0.341529 logGD-logG0= -0.010704 tlogG= -0.048082 logG= -0.058786 Density= 0.215068 ETOT(band)= -0.234178 trlgG= -0.295081 logG= -0.058786 TDE= -0.342722 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010614 tlogG= -0.047787 logG= -0.058401 Density= 0.214752 ETOT(band)= -0.234126 trlgG= -0.294572 logG= -0.058497 TDE= -0.342346 Density= 0.214650 ETOT(band)= -0.234120 trlgG= -0.294404 logG= -0.058401 TDE= -0.342222 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010553 tlogG= -0.047980 logG= -0.058533 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215070 ETOT(band)= -0.234033 trlgG= -0.294665 logG= -0.058533 TDE= -0.342560 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047931 logG= -0.057715 Density= 0.213256 ETOT(band)= -0.234313 trlgG= -0.293886 logG= -0.057715 TDE= -0.341701 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010786 tlogG= -0.048015 logG= -0.058801 Density= 0.215105 ETOT(band)= -0.234169 trlgG= -0.295109 logG= -0.058801 TDE= -0.342752 logGD-logG0= -0.010095 tlogG= -0.045649 logG= -0.055745 logGD-logG0= -0.010297 tlogG= -0.048030 logG= -0.058327 Density= 0.215138 ETOT(band)= -0.232438 trlgG= -0.290334 logG= -0.055745 TDE= -0.341051 Density= 0.214525 ETOT(band)= -0.234150 trlgG= -0.294487 logG= -0.058327 TDE= -0.342317 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001729 tlogG= -0.007305 logG= -0.009034 Density= 0.035841 ETOT(band)= -0.038586 trlgG= -0.047965 logG= -0.009034 TDE= -0.056667 logGD-logG0= -0.010416 tlogG= -0.047660 logG= -0.058076 Density= 0.213938 ETOT(band)= -0.234232 trlgG= -0.294182 logG= -0.058076 TDE= -0.341973 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010900 tlogG= -0.048145 logG= -0.059045 logGD-logG0= -0.010643 tlogG= -0.047308 logG= -0.057951 logGD-logG0= -0.010850 tlogG= -0.046877 logG= -0.057727 Density= 0.215426 ETOT(band)= -0.233387 trlgG= -0.293409 logG= -0.057727 TDE= -0.342285 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215423 ETOT(band)= -0.234193 trlgG= -0.295545 logG= -0.059045 TDE= -0.343102 logGD-logG0= -0.010838 tlogG= -0.047530 logG= -0.058368 Density= 0.215700 ETOT(band)= -0.233622 trlgG= -0.294448 logG= -0.058368 TDE= -0.342819 Density= 0.214252 ETOT(band)= -0.234023 trlgG= -0.293656 logG= -0.057951 TDE= -0.341728 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010410 tlogG= -0.046412 logG= -0.056822 Density= 0.215208 ETOT(band)= -0.232999 trlgG= -0.291967 logG= -0.056822 TDE= -0.341641 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010763 tlogG= -0.047943 logG= -0.058706 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215897 ETOT(band)= -0.233738 trlgG= -0.295009 logG= -0.058706 TDE= -0.343140 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009990 tlogG= -0.045591 logG= -0.055581 Density= 0.214346 ETOT(band)= -0.232717 trlgG= -0.290525 logG= -0.055581 TDE= -0.341013 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010818 tlogG= -0.047892 logG= -0.058710 Density= 0.215768 ETOT(band)= -0.233811 trlgG= -0.295013 logG= -0.058710 TDE= -0.343076 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010808 tlogG= -0.047420 logG= -0.058228 Density= 0.215466 ETOT(band)= -0.233664 trlgG= -0.294210 logG= -0.058228 TDE= -0.342605 logGD-logG0= -0.010021 tlogG= -0.047225 logG= -0.057246 Density= 0.214466 ETOT(band)= -0.233590 trlgG= -0.293066 logG= -0.057246 TDE= -0.341949 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010322 tlogG= -0.047152 logG= -0.057474 Density= 0.215145 ETOT(band)= -0.233400 trlgG= -0.292985 logG= -0.057474 TDE= -0.341976 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002521 tlogG= -0.010841 logG= -0.013362 Density= 0.054060 ETOT(band)= -0.057604 trlgG= -0.071623 logG= -0.013362 TDE= -0.085013 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.021873 logG= -0.026980 Density= 0.108319 ETOT(band)= -0.115272 trlgG= -0.143668 logG= -0.026980 TDE= -0.170290 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005127 tlogG= -0.021694 logG= -0.026821 logGD-logG0= -0.010248 tlogG= -0.043389 logG= -0.053637 Density= 0.216266 ETOT(band)= -0.230527 trlgG= -0.286818 logG= -0.053637 TDE= -0.340201 Density= 0.107925 ETOT(band)= -0.115370 trlgG= -0.143422 logG= -0.026821 TDE= -0.170008 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004418 tlogG= -0.024132 logG= -0.028550 Density= 0.212144 ETOT(band)= -0.234450 trlgG= -0.294053 logG= -0.028550 TDE= -0.171013 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005171 logG= -0.006386 Density= 0.062535 ETOT(band)= -0.067564 trlgG= -0.084311 logG= -0.006386 TDE= -0.042367 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005083 tlogG= -0.022905 logG= -0.027988 Density= 0.214783 ETOT(band)= -0.232463 trlgG= -0.290037 logG= -0.027988 TDE= -0.170465 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005307 logG= -0.006540 Density= 0.081556 ETOT(band)= -0.085707 trlgG= -0.106334 logG= -0.006540 TDE= -0.042469 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001731 tlogG= -0.007116 logG= -0.008848 Density= 0.072226 ETOT(band)= -0.076499 trlgG= -0.094953 logG= -0.008848 TDE= -0.056634 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005030 tlogG= -0.022474 logG= -0.027504 Density= 0.215007 ETOT(band)= -0.231727 trlgG= -0.288391 logG= -0.027504 TDE= -0.170214 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.021349 logG= -0.026454 Density= 0.217012 ETOT(band)= -0.229235 trlgG= -0.284614 logG= -0.026454 TDE= -0.169926 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005194 tlogG= -0.021878 logG= -0.027072 Density= 0.216618 ETOT(band)= -0.230343 trlgG= -0.286821 logG= -0.027072 TDE= -0.170259 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001306 tlogG= -0.005939 logG= -0.007245 Density= 0.080831 ETOT(band)= -0.087668 trlgG= -0.110492 logG= -0.007245 TDE= -0.042874 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001301 tlogG= -0.005855 logG= -0.007157 Density= 0.080646 ETOT(band)= -0.087634 trlgG= -0.110296 logG= -0.007157 TDE= -0.042820 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001287 tlogG= -0.005748 logG= -0.007035 Density= 0.080632 ETOT(band)= -0.087420 trlgG= -0.109742 logG= -0.007035 TDE= -0.042755 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005619 logG= -0.006885 Density= 0.080833 ETOT(band)= -0.086990 trlgG= -0.108737 logG= -0.006885 TDE= -0.042678 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023957 logG= -0.029152 Density= 0.214332 ETOT(band)= -0.234156 trlgG= -0.294263 logG= -0.029152 TDE= -0.171098 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.022968 logG= -0.028262 logGD-logG0= -0.001304 tlogG= -0.005984 logG= -0.007288 Density= 0.216221 ETOT(band)= -0.232138 trlgG= -0.290928 logG= -0.028262 TDE= -0.170934 Density= 0.081061 ETOT(band)= -0.087570 trlgG= -0.110543 logG= -0.007288 TDE= -0.042904 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.024002 logG= -0.029340 Density= 0.215686 ETOT(band)= -0.233912 trlgG= -0.295168 logG= -0.029340 TDE= -0.171612 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.023415 logG= -0.028737 Density= 0.216196 ETOT(band)= -0.232711 trlgG= -0.292543 logG= -0.028737 TDE= -0.171222 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.023837 logG= -0.028788 Density= 0.213558 ETOT(band)= -0.234214 trlgG= -0.294098 logG= -0.028788 TDE= -0.171083 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.024007 logG= -0.028863 Density= 0.214109 ETOT(band)= -0.234149 trlgG= -0.294483 logG= -0.028863 TDE= -0.171265 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005368 tlogG= -0.023481 logG= -0.028849 Density= 0.215209 ETOT(band)= -0.233386 trlgG= -0.293252 logG= -0.028849 TDE= -0.171202 logGD-logG0= -0.004767 tlogG= -0.023371 logG= -0.028138 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214168 ETOT(band)= -0.233438 trlgG= -0.292690 logG= -0.028138 TDE= -0.170942 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023800 logG= -0.029172 Density= 0.215331 ETOT(band)= -0.233819 trlgG= -0.294514 logG= -0.029172 TDE= -0.171459 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023194 logG= -0.028480 Density= 0.214858 ETOT(band)= -0.233015 trlgG= -0.291567 logG= -0.028480 TDE= -0.170653 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023845 logG= -0.029036 Density= 0.215494 ETOT(band)= -0.233814 trlgG= -0.294618 logG= -0.029036 TDE= -0.171147 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024006 logG= -0.028895 Density= 0.321552 ETOT(band)= -0.351201 trlgG= -0.441866 logG= -0.028895 TDE= -0.171260 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001619 tlogG= -0.006873 logG= -0.008493 Density= 0.040847 ETOT(band)= -0.042683 trlgG= -0.052859 logG= -0.008493 TDE= -0.056473 logGD-logG0= -0.005302 tlogG= -0.024000 logG= -0.029302 logGD-logG0= -0.004695 tlogG= -0.023973 logG= -0.028668 Density= 0.212787 ETOT(band)= -0.234342 trlgG= -0.293848 logG= -0.028668 TDE= -0.170866 logGD-logG0= -0.005295 tlogG= -0.023957 logG= -0.029252 Density= 0.216391 ETOT(band)= -0.233287 trlgG= -0.294453 logG= -0.029252 TDE= -0.171602 Density= 0.216357 ETOT(band)= -0.233391 trlgG= -0.294686 logG= -0.029302 TDE= -0.171629 logGD-logG0= -0.010408 tlogG= -0.045627 logG= -0.056035 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324035 ETOT(band)= -0.348030 trlgG= -0.435478 logG= -0.056035 TDE= -0.341522 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.024123 logG= -0.029556 Density= 0.215720 ETOT(band)= -0.234067 trlgG= -0.295584 logG= -0.029556 TDE= -0.171645 logGD-logG0= -0.004550 tlogG= -0.023741 logG= -0.028290 logGD-logG0= -0.010633 tlogG= -0.047787 logG= -0.058420 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324352 ETOT(band)= -0.349993 trlgG= -0.441528 logG= -0.058420 TDE= -0.343098 Density= 0.213063 ETOT(band)= -0.233657 trlgG= -0.292124 logG= -0.028290 TDE= -0.170815 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.022438 logG= -0.027672 Density= 0.216363 ETOT(band)= -0.231341 trlgG= -0.288942 logG= -0.027672 TDE= -0.170599 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023882 logG= -0.028917 Density= 0.213775 ETOT(band)= -0.234073 trlgG= -0.293359 logG= -0.028917 TDE= -0.170828 logGD-logG0= -0.005315 tlogG= -0.023762 logG= -0.029077 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216279 ETOT(band)= -0.233090 trlgG= -0.293749 logG= -0.029077 TDE= -0.171461 logGD-logG0= -0.004799 tlogG= -0.023368 logG= -0.028167 logGD-logG0= -0.005160 tlogG= -0.024162 logG= -0.029323 Density= 0.322435 ETOT(band)= -0.351308 trlgG= -0.442539 logG= -0.029323 TDE= -0.171265 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321617 ETOT(band)= -0.350155 trlgG= -0.439289 logG= -0.028167 TDE= -0.170934 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024083 logG= -0.029449 Density= 0.323061 ETOT(band)= -0.351277 trlgG= -0.443188 logG= -0.029449 TDE= -0.171458 logGD-logG0= -0.005134 tlogG= -0.024157 logG= -0.029292 logGD-logG0= -0.004605 tlogG= -0.023587 logG= -0.028192 Density= 0.214736 ETOT(band)= -0.234226 trlgG= -0.294876 logG= -0.029292 TDE= -0.171270 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212593 ETOT(band)= -0.234067 trlgG= -0.293102 logG= -0.028192 TDE= -0.170730 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010680 tlogG= -0.047236 logG= -0.057916 Density= 0.324132 ETOT(band)= -0.349627 trlgG= -0.440182 logG= -0.057916 TDE= -0.342705 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010923 tlogG= -0.048041 logG= -0.058963 Density= 0.323247 ETOT(band)= -0.351068 trlgG= -0.442883 logG= -0.058963 TDE= -0.343092 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009914 tlogG= -0.046605 logG= -0.056519 Density= 0.322690 ETOT(band)= -0.349104 trlgG= -0.436922 logG= -0.056519 TDE= -0.341677 logGD-logG0= -0.010679 tlogG= -0.046415 logG= -0.057093 Density= 0.323992 ETOT(band)= -0.348972 trlgG= -0.438097 logG= -0.057093 TDE= -0.342148 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.023245 logG= -0.028143 logGD-logG0= -0.004720 tlogG= -0.023890 logG= -0.028611 Density= 0.213479 ETOT(band)= -0.233683 trlgG= -0.292581 logG= -0.028143 TDE= -0.170779 logGD-logG0= -0.005145 tlogG= -0.023244 logG= -0.028389 Density= 0.213262 ETOT(band)= -0.233930 trlgG= -0.292851 logG= -0.028611 TDE= -0.170817 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321689 ETOT(band)= -0.350658 trlgG= -0.440139 logG= -0.028389 TDE= -0.170888 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005553 tlogG= -0.023353 logG= -0.028906 Density= 0.215101 ETOT(band)= -0.233412 trlgG= -0.293060 logG= -0.028906 TDE= -0.170997 logGD-logG0= -0.005480 tlogG= -0.023899 logG= -0.029379 logGD-logG0= -0.005529 tlogG= -0.023685 logG= -0.029214 Density= 0.215405 ETOT(band)= -0.233667 trlgG= -0.294198 logG= -0.029214 TDE= -0.171291 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215645 ETOT(band)= -0.233814 trlgG= -0.294895 logG= -0.029379 TDE= -0.171468 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005465 tlogG= -0.023958 logG= -0.029424 Density= 0.323662 ETOT(band)= -0.350739 trlgG= -0.442622 logG= -0.029424 TDE= -0.171516 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010376 tlogG= -0.048149 logG= -0.058526 logGD-logG0= -0.009873 tlogG= -0.047841 logG= -0.057714 Density= 0.428014 ETOT(band)= -0.468283 trlgG= -0.588553 logG= -0.057714 TDE= -0.342334 Density= 0.429289 ETOT(band)= -0.468386 trlgG= -0.589315 logG= -0.058526 TDE= -0.342380 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009193 tlogG= -0.048097 logG= -0.057290 Density= 0.425489 ETOT(band)= -0.468485 trlgG= -0.587184 logG= -0.057290 TDE= -0.341848 logGD-logG0= -0.010546 tlogG= -0.047957 logG= -0.058503 logGD-logG0= -0.009734 tlogG= -0.046608 logG= -0.056342 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429192 ETOT(band)= -0.468348 trlgG= -0.588962 logG= -0.058503 TDE= -0.342221 Density= 0.428065 ETOT(band)= -0.466983 trlgG= -0.585159 logG= -0.056342 TDE= -0.341703 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010488 tlogG= -0.047669 logG= -0.058157 Density= 0.428271 ETOT(band)= -0.468263 trlgG= -0.587881 logG= -0.058157 TDE= -0.341975 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010987 tlogG= -0.047695 logG= -0.058682 Density= 0.431090 ETOT(band)= -0.467579 trlgG= -0.589389 logG= -0.058682 TDE= -0.342845 logGD-logG0= -0.001610 tlogG= -0.007589 logG= -0.009199 logGD-logG0= -0.001472 tlogG= -0.007966 logG= -0.009438 Density= 0.070858 ETOT(band)= -0.077974 trlgG= -0.097574 logG= -0.009438 TDE= -0.056974 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071491 ETOT(band)= -0.077369 trlgG= -0.096272 logG= -0.009199 TDE= -0.056749 logGD-logG0= -0.010721 tlogG= -0.048070 logG= -0.058791 Density= 0.430137 ETOT(band)= -0.468217 trlgG= -0.589752 logG= -0.058791 TDE= -0.342722 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.048221 logG= -0.058732 Density= 0.430031 ETOT(band)= -0.468387 trlgG= -0.590081 logG= -0.058732 TDE= -0.342596 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010049 tlogG= -0.047854 logG= -0.057903 Density= 0.429121 ETOT(band)= -0.468053 trlgG= -0.588517 logG= -0.057903 TDE= -0.342320 logGD-logG0= -0.009839 tlogG= -0.047769 logG= -0.057608 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427145 ETOT(band)= -0.468050 trlgG= -0.586542 logG= -0.057608 TDE= -0.341568 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.021299 logG= -0.026321 Density= 0.162645 ETOT(band)= -0.173027 trlgG= -0.216167 logG= -0.026321 TDE= -0.169913 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010548 tlogG= -0.046930 logG= -0.057478 Density= 0.429863 ETOT(band)= -0.466593 trlgG= -0.584912 logG= -0.057478 TDE= -0.341689 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009885 tlogG= -0.047650 logG= -0.057535 Density= 0.426638 ETOT(band)= -0.468503 trlgG= -0.587695 logG= -0.057535 TDE= -0.341866 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010947 tlogG= -0.047267 logG= -0.058214 Density= 0.430473 ETOT(band)= -0.467215 trlgG= -0.587561 logG= -0.058214 TDE= -0.342354 logGD-logG0= -0.010163 tlogG= -0.046401 logG= -0.056564 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429506 ETOT(band)= -0.465683 trlgG= -0.582216 logG= -0.056564 TDE= -0.341398 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010889 tlogG= -0.047728 logG= -0.058617 Density= 0.430747 ETOT(band)= -0.467637 trlgG= -0.589033 logG= -0.058617 TDE= -0.342738 logGD-logG0= -0.004949 tlogG= -0.022327 logG= -0.027276 Density= 0.322853 ETOT(band)= -0.348074 trlgG= -0.434532 logG= -0.027276 TDE= -0.170281 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010912 tlogG= -0.048020 logG= -0.058932 Density= 0.431333 ETOT(band)= -0.467860 trlgG= -0.590382 logG= -0.058932 TDE= -0.343110 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047560 logG= -0.057790 Density= 0.428586 ETOT(band)= -0.467608 trlgG= -0.586919 logG= -0.057790 TDE= -0.342020 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010473 tlogG= -0.047570 logG= -0.058042 Density= 0.429997 ETOT(band)= -0.467239 trlgG= -0.586842 logG= -0.058042 TDE= -0.342134 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005468 logG= -0.006721 Density= 0.081197 ETOT(band)= -0.086376 trlgG= -0.107496 logG= -0.006721 TDE= -0.042580 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009680 tlogG= -0.046714 logG= -0.056394 Density= 0.427855 ETOT(band)= -0.466263 trlgG= -0.582552 logG= -0.056394 TDE= -0.341288 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.044621 logG= -0.054818 Density= 0.324274 ETOT(band)= -0.346762 trlgG= -0.432465 logG= -0.054818 TDE= -0.340844 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.022292 logG= -0.027354 Density= 0.214241 ETOT(band)= -0.232507 trlgG= -0.289795 logG= -0.027354 TDE= -0.170201 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004908 tlogG= -0.022327 logG= -0.027235 Density= 0.215013 ETOT(band)= -0.232016 trlgG= -0.289437 logG= -0.027235 TDE= -0.170288 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010044 tlogG= -0.044625 logG= -0.054669 Density= 0.431583 ETOT(band)= -0.462204 trlgG= -0.575421 logG= -0.054669 TDE= -0.340483 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021204 logG= -0.026267 Density= 0.216335 ETOT(band)= -0.230098 trlgG= -0.285875 logG= -0.026267 TDE= -0.169833 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.904162490509 eV TrLogG= -407.748065565991 eV Ratio to renormalize= 1.000070227395 rho-rho_expected=-0.001544894202 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964699654630683 0.940522260557365 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002663 tlogG= -0.012031 logG= -0.014695 Density= 0.053761 ETOT(band)= -0.058545 trlgG= -0.073766 logG= -0.014695 TDE= -0.085675 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002618 tlogG= -0.011983 logG= -0.014601 Density= 0.054137 ETOT(band)= -0.058306 trlgG= -0.073627 logG= -0.014601 TDE= -0.085815 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002392 tlogG= -0.011447 logG= -0.013839 Density= 0.053732 ETOT(band)= -0.058083 trlgG= -0.072582 logG= -0.013839 TDE= -0.085332 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023869 logG= -0.029263 Density= 0.107914 ETOT(band)= -0.116824 trlgG= -0.147354 logG= -0.029263 TDE= -0.171491 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005432 tlogG= -0.023579 logG= -0.029011 Density= 0.107797 ETOT(band)= -0.116729 trlgG= -0.146939 logG= -0.029011 TDE= -0.171272 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009353 tlogG= -0.047630 logG= -0.056983 Density= 0.212902 ETOT(band)= -0.234100 trlgG= -0.293235 logG= -0.056983 TDE= -0.341606 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010056 tlogG= -0.047152 logG= -0.057208 Density= 0.213761 ETOT(band)= -0.233840 trlgG= -0.292950 logG= -0.057208 TDE= -0.341521 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010096 tlogG= -0.045647 logG= -0.055743 Density= 0.215136 ETOT(band)= -0.232432 trlgG= -0.290325 logG= -0.055743 TDE= -0.341043 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.024045 logG= -0.028713 Density= 0.106376 ETOT(band)= -0.117183 trlgG= -0.146967 logG= -0.028713 TDE= -0.170894 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023682 logG= -0.029091 Density= 0.107226 ETOT(band)= -0.117027 trlgG= -0.147011 logG= -0.029091 TDE= -0.170980 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023668 logG= -0.028469 Density= 0.106586 ETOT(band)= -0.116988 trlgG= -0.146550 logG= -0.028469 TDE= -0.170825 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.024068 logG= -0.029071 Density= 0.107050 ETOT(band)= -0.117121 trlgG= -0.147329 logG= -0.029071 TDE= -0.171231 logGD-logG0= -0.005424 tlogG= -0.023193 logG= -0.028617 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107679 ETOT(band)= -0.116568 trlgG= -0.146310 logG= -0.028617 TDE= -0.170978 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004861 tlogG= -0.022851 logG= -0.027711 logGD-logG0= -0.005108 tlogG= -0.021872 logG= -0.026980 Density= 0.107288 ETOT(band)= -0.116263 trlgG= -0.145218 logG= -0.027711 TDE= -0.170598 Density= 0.108318 ETOT(band)= -0.115269 trlgG= -0.143664 logG= -0.026980 TDE= -0.170286 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002522 tlogG= -0.010840 logG= -0.013362 Density= 0.054060 ETOT(band)= -0.057602 trlgG= -0.071621 logG= -0.013362 TDE= -0.085011 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001446 tlogG= -0.008044 logG= -0.009490 Density= 0.035308 ETOT(band)= -0.039087 trlgG= -0.049029 logG= -0.009490 TDE= -0.057011 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004829 tlogG= -0.022989 logG= -0.027818 Density= 0.106860 ETOT(band)= -0.116519 trlgG= -0.145372 logG= -0.027818 TDE= -0.170434 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002481 tlogG= -0.012081 logG= -0.014563 Density= 0.053581 ETOT(band)= -0.058558 trlgG= -0.073710 logG= -0.014563 TDE= -0.085662 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022406 logG= -0.027539 Density= 0.107627 ETOT(band)= -0.115988 trlgG= -0.144605 logG= -0.027539 TDE= -0.170325 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002386 tlogG= -0.011883 logG= -0.014269 Density= 0.053557 ETOT(band)= -0.058414 trlgG= -0.073348 logG= -0.014269 TDE= -0.085582 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001729 tlogG= -0.007304 logG= -0.009034 Density= 0.035841 ETOT(band)= -0.038585 trlgG= -0.047964 logG= -0.009034 TDE= -0.056666 logGD-logG0= -0.001526 tlogG= -0.007811 logG= -0.009337 Density= 0.035488 ETOT(band)= -0.038935 trlgG= -0.048664 logG= -0.009337 TDE= -0.056888 logGD-logG0= -0.001663 tlogG= -0.006991 logG= -0.008654 Density= 0.036194 ETOT(band)= -0.038134 trlgG= -0.047301 logG= -0.008654 TDE= -0.056558 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005265 tlogG= -0.023429 logG= -0.028694 Density= 0.108129 ETOT(band)= -0.116401 trlgG= -0.146445 logG= -0.028694 TDE= -0.171258 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004444 tlogG= -0.024051 logG= -0.028495 logGD-logG0= -0.005270 tlogG= -0.023762 logG= -0.029032 Density= 0.108176 ETOT(band)= -0.116562 trlgG= -0.146980 logG= -0.029032 TDE= -0.171479 Density= 0.106103 ETOT(band)= -0.117197 trlgG= -0.146960 logG= -0.028495 TDE= -0.170970 logGD-logG0= -0.005156 tlogG= -0.022455 logG= -0.027611 Density= 0.108199 ETOT(band)= -0.115759 trlgG= -0.144723 logG= -0.027611 TDE= -0.170654 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002688 tlogG= -0.011987 logG= -0.014675 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053982 ETOT(band)= -0.058428 trlgG= -0.073749 logG= -0.014675 TDE= -0.085787 logGD-logG0= -0.005402 tlogG= -0.024069 logG= -0.029471 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004470 tlogG= -0.023974 logG= -0.028444 Density= 0.106155 ETOT(band)= -0.117153 trlgG= -0.146846 logG= -0.028444 TDE= -0.170933 Density= 0.107640 ETOT(band)= -0.117091 trlgG= -0.147678 logG= -0.029471 TDE= -0.171472 logGD-logG0= -0.005073 tlogG= -0.022167 logG= -0.027240 Density= 0.108355 ETOT(band)= -0.115452 trlgG= -0.144114 logG= -0.027240 TDE= -0.170493 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.022980 logG= -0.028204 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108132 ETOT(band)= -0.116131 trlgG= -0.145670 logG= -0.028204 TDE= -0.170975 logGD-logG0= -0.005256 tlogG= -0.023949 logG= -0.029205 Density= 0.108228 ETOT(band)= -0.116637 trlgG= -0.147258 logG= -0.029205 TDE= -0.171609 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.022848 logG= -0.027832 Density= 0.107741 ETOT(band)= -0.116116 trlgG= -0.145089 logG= -0.027832 TDE= -0.170573 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023205 logG= -0.027947 Density= 0.106724 ETOT(band)= -0.116650 trlgG= -0.145636 logG= -0.027947 TDE= -0.170501 logGD-logG0= -0.005244 tlogG= -0.023870 logG= -0.029114 Density= 0.108248 ETOT(band)= -0.116573 trlgG= -0.147109 logG= -0.029114 TDE= -0.171562 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.023900 logG= -0.029334 Density= 0.107749 ETOT(band)= -0.116957 trlgG= -0.147461 logG= -0.029334 TDE= -0.171447 logGD-logG0= -0.005021 tlogG= -0.021561 logG= -0.026582 Density= 0.108509 ETOT(band)= -0.114902 trlgG= -0.142983 logG= -0.026582 TDE= -0.170097 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.024086 logG= -0.029495 logGD-logG0= -0.005247 tlogG= -0.023604 logG= -0.028850 Density= 0.108202 ETOT(band)= -0.116447 trlgG= -0.146688 logG= -0.028850 TDE= -0.171382 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.022731 logG= -0.027883 logGD-logG0= -0.005351 tlogG= -0.023966 logG= -0.029317 Density= 0.107440 ETOT(band)= -0.117078 trlgG= -0.147405 logG= -0.029317 TDE= -0.171255 Density= 0.107886 ETOT(band)= -0.116998 trlgG= -0.147740 logG= -0.029495 TDE= -0.171632 Density= 0.108245 ETOT(band)= -0.115895 trlgG= -0.145158 logG= -0.027883 TDE= -0.170840 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.024133 logG= -0.029575 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107810 ETOT(band)= -0.117086 trlgG= -0.147866 logG= -0.029575 TDE= -0.171641 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023687 logG= -0.028639 logGD-logG0= -0.005217 tlogG= -0.023214 logG= -0.028430 Density= 0.108192 ETOT(band)= -0.116224 trlgG= -0.146025 logG= -0.028430 TDE= -0.171134 Density= 0.107372 ETOT(band)= -0.116748 trlgG= -0.146559 logG= -0.028639 TDE= -0.171054 logGD-logG0= -0.005121 tlogG= -0.023641 logG= -0.028762 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106970 ETOT(band)= -0.116957 trlgG= -0.146462 logG= -0.028762 TDE= -0.170634 logGD-logG0= -0.005027 tlogG= -0.023891 logG= -0.028918 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106748 ETOT(band)= -0.117141 trlgG= -0.147076 logG= -0.028918 TDE= -0.170982 logGD-logG0= -0.005116 tlogG= -0.024091 logG= -0.029207 Density= 0.107375 ETOT(band)= -0.117058 trlgG= -0.147300 logG= -0.029207 TDE= -0.171228 logGD-logG0= -0.004856 tlogG= -0.023499 logG= -0.028355 Density= 0.106763 ETOT(band)= -0.116840 trlgG= -0.146119 logG= -0.028355 TDE= -0.170596 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.022873 logG= -0.028105 Density= 0.107610 ETOT(band)= -0.116321 trlgG= -0.145501 logG= -0.028105 TDE= -0.170647 logGD-logG0= -0.004830 tlogG= -0.023686 logG= -0.028516 Density= 0.106967 ETOT(band)= -0.116869 trlgG= -0.146653 logG= -0.028516 TDE= -0.171070 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.048242 logG= -0.058271 Density= 0.214391 ETOT(band)= -0.234199 trlgG= -0.294730 logG= -0.058271 TDE= -0.342551 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009894 tlogG= -0.047158 logG= -0.057052 Density= 0.213749 ETOT(band)= -0.233797 trlgG= -0.293159 logG= -0.057052 TDE= -0.341880 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.047899 logG= -0.058074 Density= 0.213956 ETOT(band)= -0.234239 trlgG= -0.294421 logG= -0.058074 TDE= -0.342224 logGD-logG0= -0.009991 tlogG= -0.045588 logG= -0.055579 logGD-logG0= -0.009711 tlogG= -0.045758 logG= -0.055469 Density= 0.215002 ETOT(band)= -0.232358 trlgG= -0.290335 logG= -0.055469 TDE= -0.341260 Density= 0.214344 ETOT(band)= -0.232711 trlgG= -0.290516 logG= -0.055579 TDE= -0.341005 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047928 logG= -0.057713 logGD-logG0= -0.010705 tlogG= -0.048079 logG= -0.058784 Density= 0.213254 ETOT(band)= -0.234306 trlgG= -0.293877 logG= -0.057713 TDE= -0.341694 Density= 0.215066 ETOT(band)= -0.234172 trlgG= -0.295072 logG= -0.058784 TDE= -0.342714 logGD-logG0= -0.005383 tlogG= -0.024058 logG= -0.029441 logGD-logG0= -0.010615 tlogG= -0.047784 logG= -0.058399 Density= 0.214648 ETOT(band)= -0.234114 trlgG= -0.294395 logG= -0.058399 TDE= -0.342214 Density= 0.107946 ETOT(band)= -0.116930 trlgG= -0.147650 logG= -0.029441 TDE= -0.171626 logGD-logG0= -0.010750 tlogG= -0.047745 logG= -0.058495 Density= 0.214750 ETOT(band)= -0.234120 trlgG= -0.294563 logG= -0.058495 TDE= -0.342338 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010554 tlogG= -0.047977 logG= -0.058531 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215068 ETOT(band)= -0.234027 trlgG= -0.294656 logG= -0.058531 TDE= -0.342552 logGD-logG0= -0.005127 tlogG= -0.021693 logG= -0.026820 Density= 0.107924 ETOT(band)= -0.115367 trlgG= -0.143418 logG= -0.026820 TDE= -0.170004 logGD-logG0= -0.010416 tlogG= -0.047658 logG= -0.058074 Density= 0.213937 ETOT(band)= -0.234226 trlgG= -0.294173 logG= -0.058074 TDE= -0.341966 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009666 tlogG= -0.047446 logG= -0.057112 logGD-logG0= -0.002461 tlogG= -0.010424 logG= -0.012885 Density= 0.054376 ETOT(band)= -0.057084 trlgG= -0.070773 logG= -0.012885 TDE= -0.084795 Density= 0.214297 ETOT(band)= -0.233625 trlgG= -0.293286 logG= -0.057112 TDE= -0.342219 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010787 tlogG= -0.048012 logG= -0.058799 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215103 ETOT(band)= -0.234163 trlgG= -0.295100 logG= -0.058799 TDE= -0.342744 logGD-logG0= -0.010298 tlogG= -0.048027 logG= -0.058325 Density= 0.214523 ETOT(band)= -0.234144 trlgG= -0.294478 logG= -0.058325 TDE= -0.342309 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010851 tlogG= -0.046875 logG= -0.057725 Density= 0.215424 ETOT(band)= -0.233382 trlgG= -0.293400 logG= -0.057725 TDE= -0.342277 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010643 tlogG= -0.047305 logG= -0.057949 Density= 0.214251 ETOT(band)= -0.234017 trlgG= -0.293647 logG= -0.057949 TDE= -0.341721 logGD-logG0= -0.010839 tlogG= -0.047527 logG= -0.058366 Density= 0.215697 ETOT(band)= -0.233616 trlgG= -0.294439 logG= -0.058366 TDE= -0.342811 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010411 tlogG= -0.046409 logG= -0.056820 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010764 tlogG= -0.047940 logG= -0.058704 Density= 0.215206 ETOT(band)= -0.232993 trlgG= -0.291958 logG= -0.056820 TDE= -0.341633 Density= 0.215895 ETOT(band)= -0.233732 trlgG= -0.295001 logG= -0.058704 TDE= -0.343132 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010900 tlogG= -0.048142 logG= -0.059043 Density= 0.215421 ETOT(band)= -0.234188 trlgG= -0.295536 logG= -0.059043 TDE= -0.343094 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010809 tlogG= -0.047418 logG= -0.058226 logGD-logG0= -0.010021 tlogG= -0.047222 logG= -0.057244 Density= 0.215464 ETOT(band)= -0.233658 trlgG= -0.294201 logG= -0.058226 TDE= -0.342597 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214464 ETOT(band)= -0.233584 trlgG= -0.293057 logG= -0.057244 TDE= -0.341941 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010819 tlogG= -0.047889 logG= -0.058708 logGD-logG0= -0.004940 tlogG= -0.020986 logG= -0.025926 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108705 ETOT(band)= -0.114314 trlgG= -0.141825 logG= -0.025926 TDE= -0.169693 Density= 0.215766 ETOT(band)= -0.233805 trlgG= -0.295004 logG= -0.058708 TDE= -0.343068 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010323 tlogG= -0.047149 logG= -0.057472 Density= 0.215143 ETOT(band)= -0.233394 trlgG= -0.292976 logG= -0.057472 TDE= -0.341968 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.021816 logG= -0.027003 Density= 0.107780 ETOT(band)= -0.115560 trlgG= -0.143729 logG= -0.027003 TDE= -0.170060 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010249 tlogG= -0.043386 logG= -0.053635 Density= 0.216265 ETOT(band)= -0.230521 trlgG= -0.286810 logG= -0.053635 TDE= -0.340194 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001306 tlogG= -0.005939 logG= -0.007245 Density= 0.080830 ETOT(band)= -0.087666 trlgG= -0.110489 logG= -0.007245 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005481 tlogG= -0.023897 logG= -0.029378 Density= 0.215643 ETOT(band)= -0.233808 trlgG= -0.294886 logG= -0.029378 TDE= -0.171464 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005529 tlogG= -0.023683 logG= -0.029213 logGD-logG0= -0.009193 tlogG= -0.048095 logG= -0.057288 Density= 0.215403 ETOT(band)= -0.233661 trlgG= -0.294189 logG= -0.029213 TDE= -0.171287 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425486 ETOT(band)= -0.468472 trlgG= -0.587166 logG= -0.057288 TDE= -0.341840 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005022 tlogG= -0.021298 logG= -0.026320 Density= 0.162644 ETOT(band)= -0.173023 trlgG= -0.216161 logG= -0.026320 TDE= -0.169909 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010164 tlogG= -0.046398 logG= -0.056562 Density= 0.429502 ETOT(band)= -0.465671 trlgG= -0.582199 logG= -0.056562 TDE= -0.341391 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005619 logG= -0.006885 Density= 0.080833 ETOT(band)= -0.086988 trlgG= -0.108734 logG= -0.006885 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009839 tlogG= -0.047767 logG= -0.057605 Density= 0.427141 ETOT(band)= -0.468038 trlgG= -0.586524 logG= -0.057605 TDE= -0.341560 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.044618 logG= -0.054816 Density= 0.324271 ETOT(band)= -0.346753 trlgG= -0.432452 logG= -0.054816 TDE= -0.340836 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023956 logG= -0.029151 Density= 0.214330 ETOT(band)= -0.234150 trlgG= -0.294254 logG= -0.029151 TDE= -0.171094 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023972 logG= -0.028667 Density= 0.212786 ETOT(band)= -0.234336 trlgG= -0.293839 logG= -0.028667 TDE= -0.170862 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004899 tlogG= -0.023244 logG= -0.028142 Density= 0.213478 ETOT(band)= -0.233677 trlgG= -0.292572 logG= -0.028142 TDE= -0.170775 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.024006 logG= -0.028862 Density= 0.214108 ETOT(band)= -0.234143 trlgG= -0.294474 logG= -0.028862 TDE= -0.171261 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005553 tlogG= -0.023352 logG= -0.028905 Density= 0.215099 ETOT(band)= -0.233406 trlgG= -0.293051 logG= -0.028905 TDE= -0.170993 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005467 logG= -0.006721 Density= 0.081196 ETOT(band)= -0.086374 trlgG= -0.107493 logG= -0.006721 TDE= -0.042579 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.022325 logG= -0.027234 Density= 0.215012 ETOT(band)= -0.232010 trlgG= -0.289429 logG= -0.027234 TDE= -0.170284 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001215 tlogG= -0.005170 logG= -0.006385 Density= 0.062534 ETOT(band)= -0.067563 trlgG= -0.084308 logG= -0.006385 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001610 tlogG= -0.007588 logG= -0.009198 Density= 0.071490 ETOT(band)= -0.077367 trlgG= -0.096269 logG= -0.009198 TDE= -0.056748 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001472 tlogG= -0.007965 logG= -0.009437 Density= 0.070857 ETOT(band)= -0.077972 trlgG= -0.097571 logG= -0.009437 TDE= -0.056973 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004418 tlogG= -0.024131 logG= -0.028549 Density= 0.212143 ETOT(band)= -0.234444 trlgG= -0.294044 logG= -0.028549 TDE= -0.171009 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001302 tlogG= -0.005855 logG= -0.007157 Density= 0.080645 ETOT(band)= -0.087632 trlgG= -0.110293 logG= -0.007157 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004605 tlogG= -0.023586 logG= -0.028191 Density= 0.212592 ETOT(band)= -0.234060 trlgG= -0.293093 logG= -0.028191 TDE= -0.170726 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023740 logG= -0.028289 logGD-logG0= -0.004721 tlogG= -0.023889 logG= -0.028610 Density= 0.213061 ETOT(band)= -0.233651 trlgG= -0.292115 logG= -0.028289 TDE= -0.170811 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213261 ETOT(band)= -0.233924 trlgG= -0.292842 logG= -0.028610 TDE= -0.170814 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006873 logG= -0.008492 Density= 0.040847 ETOT(band)= -0.042682 trlgG= -0.052858 logG= -0.008492 TDE= -0.056472 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001731 tlogG= -0.007116 logG= -0.008847 Density= 0.072226 ETOT(band)= -0.076497 trlgG= -0.094950 logG= -0.008847 TDE= -0.056633 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001287 tlogG= -0.005747 logG= -0.007034 Density= 0.080632 ETOT(band)= -0.087417 trlgG= -0.109738 logG= -0.007034 TDE= -0.042754 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.022291 logG= -0.027353 Density= 0.214240 ETOT(band)= -0.232501 trlgG= -0.289786 logG= -0.027353 TDE= -0.170197 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005083 tlogG= -0.022904 logG= -0.027987 Density= 0.214781 ETOT(band)= -0.232457 trlgG= -0.290028 logG= -0.027987 TDE= -0.170461 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001305 tlogG= -0.005983 logG= -0.007288 Density= 0.081060 ETOT(band)= -0.087568 trlgG= -0.110540 logG= -0.007288 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005306 logG= -0.006540 Density= 0.081555 ETOT(band)= -0.085705 trlgG= -0.106331 logG= -0.006540 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005339 tlogG= -0.024000 logG= -0.029339 Density= 0.215684 ETOT(band)= -0.233906 trlgG= -0.295159 logG= -0.029339 TDE= -0.171608 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.022473 logG= -0.027503 Density= 0.215005 ETOT(band)= -0.231721 trlgG= -0.288382 logG= -0.027503 TDE= -0.170210 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.023798 logG= -0.029171 Density= 0.215329 ETOT(band)= -0.233813 trlgG= -0.294505 logG= -0.029171 TDE= -0.171455 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.021877 logG= -0.027072 Density= 0.216616 ETOT(band)= -0.230338 trlgG= -0.286813 logG= -0.027072 TDE= -0.170255 logGD-logG0= -0.005369 tlogG= -0.023480 logG= -0.028848 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215207 ETOT(band)= -0.233380 trlgG= -0.293243 logG= -0.028848 TDE= -0.171198 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023998 logG= -0.029301 Density= 0.216355 ETOT(band)= -0.233386 trlgG= -0.294677 logG= -0.029301 TDE= -0.171625 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.024121 logG= -0.029555 Density= 0.215717 ETOT(band)= -0.234061 trlgG= -0.295575 logG= -0.029555 TDE= -0.171641 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024005 logG= -0.028894 Density= 0.321550 ETOT(band)= -0.351192 trlgG= -0.441853 logG= -0.028894 TDE= -0.171256 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.022437 logG= -0.027671 Density= 0.216361 ETOT(band)= -0.231335 trlgG= -0.288933 logG= -0.027671 TDE= -0.170595 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047233 logG= -0.057914 Density= 0.324128 ETOT(band)= -0.349618 trlgG= -0.440169 logG= -0.057914 TDE= -0.342698 logGD-logG0= -0.010634 tlogG= -0.047784 logG= -0.058418 logGD-logG0= -0.005295 tlogG= -0.023955 logG= -0.029251 logGD-logG0= -0.005161 tlogG= -0.024161 logG= -0.029322 Density= 0.322432 ETOT(band)= -0.351299 trlgG= -0.442525 logG= -0.029322 TDE= -0.171261 Density= 0.216388 ETOT(band)= -0.233281 trlgG= -0.294444 logG= -0.029251 TDE= -0.171598 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324349 ETOT(band)= -0.349984 trlgG= -0.441515 logG= -0.058418 TDE= -0.343090 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.022966 logG= -0.028261 Density= 0.216219 ETOT(band)= -0.232132 trlgG= -0.290919 logG= -0.028261 TDE= -0.170930 logGD-logG0= -0.005135 tlogG= -0.024156 logG= -0.029291 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214734 ETOT(band)= -0.234220 trlgG= -0.294867 logG= -0.029291 TDE= -0.171266 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010408 tlogG= -0.045625 logG= -0.056033 logGD-logG0= -0.005192 tlogG= -0.023843 logG= -0.029035 logGD-logG0= -0.010924 tlogG= -0.048038 logG= -0.058961 Density= 0.323243 ETOT(band)= -0.351060 trlgG= -0.442869 logG= -0.058961 TDE= -0.343084 Density= 0.324032 ETOT(band)= -0.348022 trlgG= -0.435465 logG= -0.056033 TDE= -0.341515 Density= 0.215492 ETOT(band)= -0.233808 trlgG= -0.294609 logG= -0.029035 TDE= -0.171143 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023413 logG= -0.028736 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023761 logG= -0.029076 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216194 ETOT(band)= -0.232705 trlgG= -0.292534 logG= -0.028736 TDE= -0.171218 Density= 0.216277 ETOT(band)= -0.233084 trlgG= -0.293741 logG= -0.029076 TDE= -0.171457 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023881 logG= -0.028916 logGD-logG0= -0.005146 tlogG= -0.023242 logG= -0.028388 Density= 0.213773 ETOT(band)= -0.234067 trlgG= -0.293350 logG= -0.028916 TDE= -0.170824 Density= 0.321686 ETOT(band)= -0.350649 trlgG= -0.440125 logG= -0.028388 TDE= -0.170884 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024082 logG= -0.029448 Density= 0.323058 ETOT(band)= -0.351268 trlgG= -0.443174 logG= -0.029448 TDE= -0.171454 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.023836 logG= -0.028787 Density= 0.213556 ETOT(band)= -0.234208 trlgG= -0.294089 logG= -0.028787 TDE= -0.171079 logGD-logG0= -0.009915 tlogG= -0.046602 logG= -0.056517 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322688 ETOT(band)= -0.349095 trlgG= -0.436909 logG= -0.056517 TDE= -0.341669 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.023366 logG= -0.028166 Density= 0.321614 ETOT(band)= -0.350146 trlgG= -0.439276 logG= -0.028166 TDE= -0.170930 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021203 logG= -0.026266 Density= 0.216333 ETOT(band)= -0.230092 trlgG= -0.285867 logG= -0.026266 TDE= -0.169829 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010680 tlogG= -0.046411 logG= -0.057091 Density= 0.323989 ETOT(band)= -0.348963 trlgG= -0.438084 logG= -0.057091 TDE= -0.342140 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009874 tlogG= -0.047838 logG= -0.057712 logGD-logG0= -0.005466 tlogG= -0.023957 logG= -0.029423 Density= 0.428010 ETOT(band)= -0.468271 trlgG= -0.588535 logG= -0.057712 TDE= -0.342327 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.023370 logG= -0.028137 logGD-logG0= -0.010547 tlogG= -0.047954 logG= -0.058501 logGD-logG0= -0.005286 tlogG= -0.023193 logG= -0.028479 Density= 0.214856 ETOT(band)= -0.233009 trlgG= -0.291558 logG= -0.028479 TDE= -0.170649 Density= 0.323658 ETOT(band)= -0.350731 trlgG= -0.442609 logG= -0.029423 TDE= -0.171512 Density= 0.429188 ETOT(band)= -0.468336 trlgG= -0.588944 logG= -0.058501 TDE= -0.342213 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.046711 logG= -0.056392 Density= 0.214166 ETOT(band)= -0.233432 trlgG= -0.292681 logG= -0.028137 TDE= -0.170939 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427852 ETOT(band)= -0.466251 trlgG= -0.582534 logG= -0.056392 TDE= -0.341280 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009734 tlogG= -0.046605 logG= -0.056340 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428062 ETOT(band)= -0.466970 trlgG= -0.585141 logG= -0.056340 TDE= -0.341695 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010489 tlogG= -0.047666 logG= -0.058155 logGD-logG0= -0.010377 tlogG= -0.048146 logG= -0.058524 Density= 0.429285 ETOT(band)= -0.468374 trlgG= -0.589297 logG= -0.058524 TDE= -0.342373 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428267 ETOT(band)= -0.468251 trlgG= -0.587863 logG= -0.058155 TDE= -0.341968 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.048067 logG= -0.058789 Density= 0.430133 ETOT(band)= -0.468205 trlgG= -0.589734 logG= -0.058789 TDE= -0.342714 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010511 tlogG= -0.048219 logG= -0.058730 Density= 0.430027 ETOT(band)= -0.468375 trlgG= -0.590063 logG= -0.058730 TDE= -0.342588 logGD-logG0= -0.010889 tlogG= -0.047725 logG= -0.058615 Density= 0.430742 ETOT(band)= -0.467625 trlgG= -0.589015 logG= -0.058615 TDE= -0.342730 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010989 tlogG= -0.047692 logG= -0.058680 Density= 0.431085 ETOT(band)= -0.467567 trlgG= -0.589371 logG= -0.058680 TDE= -0.342837 logGD-logG0= -0.009885 tlogG= -0.047647 logG= -0.057533 Density= 0.426635 ETOT(band)= -0.468491 trlgG= -0.587677 logG= -0.057533 TDE= -0.341859 logGD-logG0= -0.010050 tlogG= -0.047851 logG= -0.057901 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429117 ETOT(band)= -0.468041 trlgG= -0.588499 logG= -0.057901 TDE= -0.342313 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010231 tlogG= -0.047557 logG= -0.057788 Density= 0.428582 ETOT(band)= -0.467596 trlgG= -0.586901 logG= -0.057788 TDE= -0.342012 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010549 tlogG= -0.046927 logG= -0.057476 Density= 0.429859 ETOT(band)= -0.466581 trlgG= -0.584894 logG= -0.057476 TDE= -0.341681 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010913 tlogG= -0.048017 logG= -0.058930 logGD-logG0= -0.010948 tlogG= -0.047264 logG= -0.058212 Density= 0.430469 ETOT(band)= -0.467203 trlgG= -0.587543 logG= -0.058212 TDE= -0.342346 Density= 0.431328 ETOT(band)= -0.467849 trlgG= -0.590365 logG= -0.058930 TDE= -0.343102 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.021348 logG= -0.026453 Density= 0.217010 ETOT(band)= -0.229229 trlgG= -0.284606 logG= -0.026453 TDE= -0.169923 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010473 tlogG= -0.047567 logG= -0.058040 Density= 0.429993 ETOT(band)= -0.467227 trlgG= -0.586824 logG= -0.058040 TDE= -0.342126 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004949 tlogG= -0.022326 logG= -0.027275 Density= 0.322850 ETOT(band)= -0.348065 trlgG= -0.434519 logG= -0.027275 TDE= -0.170278 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010045 tlogG= -0.044622 logG= -0.054667 Density= 0.431579 ETOT(band)= -0.462192 trlgG= -0.575404 logG= -0.054667 TDE= -0.340475 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.895856180569 eV TrLogG= -407.734525586705 eV Ratio to renormalize= 1.000079181409 rho-rho_expected=-0.001741853077 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964744267778788 0.940575704869742 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002386 tlogG= -0.011883 logG= -0.014269 Density= 0.053558 ETOT(band)= -0.058415 trlgG= -0.073349 logG= -0.014269 TDE= -0.085583 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.022168 logG= -0.027241 Density= 0.108355 ETOT(band)= -0.115454 trlgG= -0.144116 logG= -0.027241 TDE= -0.170495 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023683 logG= -0.029092 Density= 0.107227 ETOT(band)= -0.117028 trlgG= -0.147013 logG= -0.029092 TDE= -0.170982 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.023642 logG= -0.028762 logGD-logG0= -0.005151 tlogG= -0.022732 logG= -0.027883 Density= 0.106971 ETOT(band)= -0.116958 trlgG= -0.146464 logG= -0.028762 TDE= -0.170636 Density= 0.108246 ETOT(band)= -0.115896 trlgG= -0.145161 logG= -0.027883 TDE= -0.170842 logGD-logG0= -0.004802 tlogG= -0.023668 logG= -0.028470 Density= 0.106587 ETOT(band)= -0.116990 trlgG= -0.146552 logG= -0.028470 TDE= -0.170827 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.023686 logG= -0.028516 Density= 0.106967 ETOT(band)= -0.116871 trlgG= -0.146655 logG= -0.028516 TDE= -0.171072 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005424 tlogG= -0.023194 logG= -0.028618 Density= 0.107679 ETOT(band)= -0.116570 trlgG= -0.146313 logG= -0.028618 TDE= -0.170980 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007054 logGD-logG0= -0.002481 tlogG= -0.012082 logG= -0.014563 Density= 0.053581 ETOT(band)= -0.058559 trlgG= -0.073711 logG= -0.014563 TDE= -0.085663 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002663 tlogG= -0.012032 logG= -0.014695 Density= 0.053761 ETOT(band)= -0.058546 trlgG= -0.073767 logG= -0.014695 TDE= -0.085676 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001446 tlogG= -0.008045 logG= -0.009490 logGD-logG0= -0.001526 tlogG= -0.007811 logG= -0.009337 Density= 0.035488 ETOT(band)= -0.038936 trlgG= -0.048664 logG= -0.009337 TDE= -0.056888 Density= 0.035308 ETOT(band)= -0.039088 trlgG= -0.049030 logG= -0.009490 TDE= -0.057012 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002618 tlogG= -0.011984 logG= -0.014602 Density= 0.054137 ETOT(band)= -0.058307 trlgG= -0.073628 logG= -0.014602 TDE= -0.085816 logGD-logG0= -0.002392 tlogG= -0.011448 logG= -0.013840 Density= 0.053733 ETOT(band)= -0.058084 trlgG= -0.072584 logG= -0.013840 TDE= -0.085333 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.023429 logG= -0.028694 Density= 0.108129 ETOT(band)= -0.116402 trlgG= -0.146447 logG= -0.028694 TDE= -0.171260 logGD-logG0= -0.004668 tlogG= -0.024045 logG= -0.028713 logGD-logG0= -0.004444 tlogG= -0.024052 logG= -0.028495 Density= 0.106103 ETOT(band)= -0.117198 trlgG= -0.146962 logG= -0.028495 TDE= -0.170972 Density= 0.106377 ETOT(band)= -0.117184 trlgG= -0.146969 logG= -0.028713 TDE= -0.170896 logGD-logG0= -0.005156 tlogG= -0.022455 logG= -0.027611 logGD-logG0= -0.005269 tlogG= -0.023763 logG= -0.029032 Density= 0.108177 ETOT(band)= -0.116564 trlgG= -0.146982 logG= -0.029032 TDE= -0.171481 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005401 tlogG= -0.024070 logG= -0.029471 Density= 0.107641 ETOT(band)= -0.117093 trlgG= -0.147680 logG= -0.029471 TDE= -0.171475 Density= 0.108199 ETOT(band)= -0.115760 trlgG= -0.144725 logG= -0.027611 TDE= -0.170656 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004470 tlogG= -0.023975 logG= -0.028445 Density= 0.106155 ETOT(band)= -0.117154 trlgG= -0.146849 logG= -0.028445 TDE= -0.170935 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.022849 logG= -0.027832 logGD-logG0= -0.005116 tlogG= -0.024092 logG= -0.029208 Density= 0.107376 ETOT(band)= -0.117059 trlgG= -0.147303 logG= -0.029208 TDE= -0.171230 Density= 0.107742 ETOT(band)= -0.116118 trlgG= -0.145091 logG= -0.027832 TDE= -0.170575 logGD-logG0= -0.005224 tlogG= -0.022981 logG= -0.028205 logGD-logG0= -0.002687 tlogG= -0.011988 logG= -0.014675 Density= 0.053982 ETOT(band)= -0.058428 trlgG= -0.073750 logG= -0.014675 TDE= -0.085788 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108132 ETOT(band)= -0.116133 trlgG= -0.145672 logG= -0.028205 TDE= -0.170977 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023950 logG= -0.029206 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023205 logG= -0.027948 Density= 0.106724 ETOT(band)= -0.116652 trlgG= -0.145638 logG= -0.027948 TDE= -0.170503 logGD-logG0= -0.005243 tlogG= -0.023871 logG= -0.029114 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108228 ETOT(band)= -0.116638 trlgG= -0.147260 logG= -0.029206 TDE= -0.171611 Density= 0.108249 ETOT(band)= -0.116574 trlgG= -0.147111 logG= -0.029114 TDE= -0.171564 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023604 logG= -0.028851 Density= 0.108203 ETOT(band)= -0.116448 trlgG= -0.146691 logG= -0.028851 TDE= -0.171384 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.024087 logG= -0.029496 logGD-logG0= -0.005216 tlogG= -0.023215 logG= -0.028431 Density= 0.108192 ETOT(band)= -0.116225 trlgG= -0.146028 logG= -0.028431 TDE= -0.171136 logGD-logG0= -0.005442 tlogG= -0.024133 logG= -0.029575 logGD-logG0= -0.005132 tlogG= -0.022407 logG= -0.027539 Density= 0.107627 ETOT(band)= -0.115990 trlgG= -0.144607 logG= -0.027539 TDE= -0.170327 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107810 ETOT(band)= -0.117088 trlgG= -0.147868 logG= -0.029575 TDE= -0.171643 Density= 0.107887 ETOT(band)= -0.117000 trlgG= -0.147742 logG= -0.029496 TDE= -0.171634 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.023966 logG= -0.029317 logGD-logG0= -0.005027 tlogG= -0.023891 logG= -0.028919 Density= 0.106749 ETOT(band)= -0.117143 trlgG= -0.147079 logG= -0.028919 TDE= -0.170984 Density= 0.107441 ETOT(band)= -0.117080 trlgG= -0.147407 logG= -0.029317 TDE= -0.171257 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004829 tlogG= -0.022989 logG= -0.027818 Density= 0.106861 ETOT(band)= -0.116520 trlgG= -0.145374 logG= -0.027818 TDE= -0.170436 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.022874 logG= -0.028106 Density= 0.107610 ETOT(band)= -0.116322 trlgG= -0.145504 logG= -0.028106 TDE= -0.170649 logGD-logG0= -0.004952 tlogG= -0.023687 logG= -0.028639 logGD-logG0= -0.004856 tlogG= -0.023500 logG= -0.028355 Density= 0.107373 ETOT(band)= -0.116749 trlgG= -0.146561 logG= -0.028639 TDE= -0.171056 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106763 ETOT(band)= -0.116842 trlgG= -0.146121 logG= -0.028355 TDE= -0.170598 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.024069 logG= -0.029072 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107050 ETOT(band)= -0.117122 trlgG= -0.147331 logG= -0.029072 TDE= -0.171233 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.022852 logG= -0.027712 Density= 0.107288 ETOT(band)= -0.116265 trlgG= -0.145220 logG= -0.027712 TDE= -0.170600 logGD-logG0= -0.005434 tlogG= -0.023900 logG= -0.029334 Density= 0.107750 ETOT(band)= -0.116958 trlgG= -0.147464 logG= -0.029334 TDE= -0.171449 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023870 logG= -0.029264 Density= 0.107914 ETOT(band)= -0.116826 trlgG= -0.147356 logG= -0.029264 TDE= -0.171493 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001287 tlogG= -0.005747 logG= -0.007034 Density= 0.080632 ETOT(band)= -0.087419 trlgG= -0.109740 logG= -0.007034 TDE= -0.042754 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010028 tlogG= -0.048244 logG= -0.058272 Density= 0.214392 ETOT(band)= -0.234202 trlgG= -0.294735 logG= -0.058272 TDE= -0.342555 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009711 tlogG= -0.045759 logG= -0.055470 logGD-logG0= -0.009894 tlogG= -0.047160 logG= -0.057053 Density= 0.213750 ETOT(band)= -0.233800 trlgG= -0.293163 logG= -0.057053 TDE= -0.341884 Density= 0.215003 ETOT(band)= -0.232361 trlgG= -0.290340 logG= -0.055470 TDE= -0.341264 logGD-logG0= -0.009990 tlogG= -0.045590 logG= -0.055580 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214345 ETOT(band)= -0.232714 trlgG= -0.290521 logG= -0.055580 TDE= -0.341009 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010750 tlogG= -0.047746 logG= -0.058496 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214751 ETOT(band)= -0.234123 trlgG= -0.294568 logG= -0.058496 TDE= -0.342342 logGD-logG0= -0.009353 tlogG= -0.047631 logG= -0.056984 logGD-logG0= -0.009784 tlogG= -0.047929 logG= -0.057714 Density= 0.213255 ETOT(band)= -0.234310 trlgG= -0.293882 logG= -0.057714 TDE= -0.341698 logGD-logG0= -0.002461 tlogG= -0.010425 logG= -0.012886 Density= 0.054376 ETOT(band)= -0.057084 trlgG= -0.070774 logG= -0.012886 TDE= -0.084796 Density= 0.212902 ETOT(band)= -0.234104 trlgG= -0.293239 logG= -0.056984 TDE= -0.341610 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.048080 logG= -0.058785 Density= 0.215067 ETOT(band)= -0.234175 trlgG= -0.295077 logG= -0.058785 TDE= -0.342718 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009666 tlogG= -0.047447 logG= -0.057113 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010056 tlogG= -0.047153 logG= -0.057209 Density= 0.213762 ETOT(band)= -0.233843 trlgG= -0.292954 logG= -0.057209 TDE= -0.341525 Density= 0.214297 ETOT(band)= -0.233628 trlgG= -0.293291 logG= -0.057113 TDE= -0.342223 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010554 tlogG= -0.047978 logG= -0.058532 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010096 tlogG= -0.045648 logG= -0.055744 Density= 0.215137 ETOT(band)= -0.232435 trlgG= -0.290330 logG= -0.055744 TDE= -0.341047 Density= 0.215069 ETOT(band)= -0.234030 trlgG= -0.294661 logG= -0.058532 TDE= -0.342556 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005383 tlogG= -0.024058 logG= -0.029442 Density= 0.107946 ETOT(band)= -0.116932 trlgG= -0.147653 logG= -0.029442 TDE= -0.171628 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.047786 logG= -0.058400 Density= 0.214649 ETOT(band)= -0.234117 trlgG= -0.294400 logG= -0.058400 TDE= -0.342219 logGD-logG0= -0.010174 tlogG= -0.047900 logG= -0.058075 Density= 0.213957 ETOT(band)= -0.234242 trlgG= -0.294426 logG= -0.058075 TDE= -0.342228 logGD-logG0= -0.001729 tlogG= -0.007305 logG= -0.009034 logGD-logG0= -0.010787 tlogG= -0.048014 logG= -0.058800 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215104 ETOT(band)= -0.234166 trlgG= -0.295104 logG= -0.058800 TDE= -0.342749 logGD-logG0= -0.001663 tlogG= -0.006991 logG= -0.008654 Density= 0.036194 ETOT(band)= -0.038135 trlgG= -0.047302 logG= -0.008654 TDE= -0.056558 logGD-logG0= -0.005194 tlogG= -0.023957 logG= -0.029151 Density= 0.214331 ETOT(band)= -0.234153 trlgG= -0.294259 logG= -0.029151 TDE= -0.171096 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010838 tlogG= -0.047529 logG= -0.058367 Density= 0.215699 ETOT(band)= -0.233619 trlgG= -0.294444 logG= -0.058367 TDE= -0.342815 logGD-logG0= -0.010850 tlogG= -0.046876 logG= -0.057726 Density= 0.215425 ETOT(band)= -0.233385 trlgG= -0.293405 logG= -0.057726 TDE= -0.342281 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005234 tlogG= -0.022438 logG= -0.027671 Density= 0.216362 ETOT(band)= -0.231338 trlgG= -0.288938 logG= -0.027671 TDE= -0.170597 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010298 tlogG= -0.048028 logG= -0.058326 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.047659 logG= -0.058075 Density= 0.213938 ETOT(band)= -0.234229 trlgG= -0.294178 logG= -0.058075 TDE= -0.341970 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214524 ETOT(band)= -0.234147 trlgG= -0.294482 logG= -0.058326 TDE= -0.342313 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035841 ETOT(band)= -0.038585 trlgG= -0.047965 logG= -0.009034 TDE= -0.056667 logGD-logG0= -0.010763 tlogG= -0.047942 logG= -0.058705 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010643 tlogG= -0.047307 logG= -0.057950 Density= 0.214252 ETOT(band)= -0.234020 trlgG= -0.293652 logG= -0.057950 TDE= -0.341725 Density= 0.215896 ETOT(band)= -0.233735 trlgG= -0.295005 logG= -0.058705 TDE= -0.343136 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005432 tlogG= -0.023579 logG= -0.029011 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010410 tlogG= -0.046410 logG= -0.056821 Density= 0.107798 ETOT(band)= -0.116730 trlgG= -0.146941 logG= -0.029011 TDE= -0.171274 Density= 0.215207 ETOT(band)= -0.232996 trlgG= -0.291963 logG= -0.056821 TDE= -0.341637 logGD-logG0= -0.005295 tlogG= -0.022967 logG= -0.028262 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216220 ETOT(band)= -0.232135 trlgG= -0.290924 logG= -0.028262 TDE= -0.170932 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010808 tlogG= -0.047419 logG= -0.058227 Density= 0.215465 ETOT(band)= -0.233661 trlgG= -0.294206 logG= -0.058227 TDE= -0.342601 logGD-logG0= -0.004898 tlogG= -0.023244 logG= -0.028143 logGD-logG0= -0.010021 tlogG= -0.047224 logG= -0.057245 Density= 0.213478 ETOT(band)= -0.233680 trlgG= -0.292577 logG= -0.028143 TDE= -0.170777 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214465 ETOT(band)= -0.233587 trlgG= -0.293062 logG= -0.057245 TDE= -0.341945 logGD-logG0= -0.010900 tlogG= -0.048144 logG= -0.059044 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215422 ETOT(band)= -0.234191 trlgG= -0.295540 logG= -0.059044 TDE= -0.343098 logGD-logG0= -0.010819 tlogG= -0.047891 logG= -0.058709 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215767 ETOT(band)= -0.233808 trlgG= -0.295009 logG= -0.058709 TDE= -0.343072 logGD-logG0= -0.004767 tlogG= -0.023370 logG= -0.028138 logGD-logG0= -0.005553 tlogG= -0.023353 logG= -0.028905 Density= 0.215100 ETOT(band)= -0.233409 trlgG= -0.293056 logG= -0.028905 TDE= -0.170995 Density= 0.214167 ETOT(band)= -0.233435 trlgG= -0.292685 logG= -0.028138 TDE= -0.170941 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002521 tlogG= -0.010840 logG= -0.013362 Density= 0.054060 ETOT(band)= -0.057603 trlgG= -0.071622 logG= -0.013362 TDE= -0.085012 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.023881 logG= -0.028916 Density= 0.213774 ETOT(band)= -0.234071 trlgG= -0.293355 logG= -0.028916 TDE= -0.170826 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010322 tlogG= -0.047151 logG= -0.057473 Density= 0.215144 ETOT(band)= -0.233397 trlgG= -0.292981 logG= -0.057473 TDE= -0.341972 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.021562 logG= -0.026583 Density= 0.108509 ETOT(band)= -0.114903 trlgG= -0.142986 logG= -0.026583 TDE= -0.170099 logGD-logG0= -0.005107 tlogG= -0.021873 logG= -0.026980 Density= 0.108319 ETOT(band)= -0.115270 trlgG= -0.143666 logG= -0.026980 TDE= -0.170288 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.020987 logG= -0.025926 Density= 0.108706 ETOT(band)= -0.114315 trlgG= -0.141828 logG= -0.025926 TDE= -0.169695 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005187 tlogG= -0.021817 logG= -0.027004 Density= 0.107781 ETOT(band)= -0.115562 trlgG= -0.143731 logG= -0.027004 TDE= -0.170062 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010248 tlogG= -0.043387 logG= -0.053636 Density= 0.216266 ETOT(band)= -0.230524 trlgG= -0.286814 logG= -0.053636 TDE= -0.340198 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005127 tlogG= -0.021694 logG= -0.026821 Density= 0.107924 ETOT(band)= -0.115368 trlgG= -0.143420 logG= -0.026821 TDE= -0.170006 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001472 tlogG= -0.007966 logG= -0.009438 Density= 0.070857 ETOT(band)= -0.077973 trlgG= -0.097573 logG= -0.009438 TDE= -0.056973 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001301 tlogG= -0.005855 logG= -0.007157 Density= 0.080646 ETOT(band)= -0.087633 trlgG= -0.110295 logG= -0.007157 TDE= -0.042820 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004418 tlogG= -0.024132 logG= -0.028550 Density= 0.212143 ETOT(band)= -0.234447 trlgG= -0.294049 logG= -0.028550 TDE= -0.171011 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005939 logG= -0.007245 Density= 0.080831 ETOT(band)= -0.087667 trlgG= -0.110491 logG= -0.007245 TDE= -0.042874 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004605 tlogG= -0.023587 logG= -0.028191 Density= 0.212592 ETOT(band)= -0.234064 trlgG= -0.293097 logG= -0.028191 TDE= -0.170728 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023740 logG= -0.028290 Density= 0.213062 ETOT(band)= -0.233654 trlgG= -0.292119 logG= -0.028290 TDE= -0.170813 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004720 tlogG= -0.023890 logG= -0.028610 Density= 0.213262 ETOT(band)= -0.233927 trlgG= -0.292847 logG= -0.028610 TDE= -0.170816 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001304 tlogG= -0.005983 logG= -0.007288 Density= 0.081061 ETOT(band)= -0.087569 trlgG= -0.110542 logG= -0.007288 TDE= -0.042904 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005170 logG= -0.006386 Density= 0.062535 ETOT(band)= -0.067563 trlgG= -0.084309 logG= -0.006386 TDE= -0.042367 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005083 tlogG= -0.022905 logG= -0.027988 Density= 0.214782 ETOT(band)= -0.232460 trlgG= -0.290033 logG= -0.027988 TDE= -0.170463 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005619 logG= -0.006885 Density= 0.080833 ETOT(band)= -0.086989 trlgG= -0.108736 logG= -0.006885 TDE= -0.042678 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001610 tlogG= -0.007588 logG= -0.009199 Density= 0.071490 ETOT(band)= -0.077368 trlgG= -0.096270 logG= -0.009199 TDE= -0.056748 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.024001 logG= -0.029340 Density= 0.215685 ETOT(band)= -0.233909 trlgG= -0.295164 logG= -0.029340 TDE= -0.171610 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.023799 logG= -0.029172 Density= 0.215331 ETOT(band)= -0.233816 trlgG= -0.294510 logG= -0.029172 TDE= -0.171457 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005368 tlogG= -0.023481 logG= -0.028849 Density= 0.215208 ETOT(band)= -0.233383 trlgG= -0.293248 logG= -0.028849 TDE= -0.171200 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006873 logG= -0.008493 Density= 0.040847 ETOT(band)= -0.042683 trlgG= -0.052859 logG= -0.008493 TDE= -0.056472 logGD-logG0= -0.005295 tlogG= -0.023956 logG= -0.029251 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216390 ETOT(band)= -0.233284 trlgG= -0.294449 logG= -0.029251 TDE= -0.171600 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005306 logG= -0.006540 logGD-logG0= -0.005302 tlogG= -0.023999 logG= -0.029301 Density= 0.216356 ETOT(band)= -0.233389 trlgG= -0.294682 logG= -0.029301 TDE= -0.171627 Density= 0.081555 ETOT(band)= -0.085706 trlgG= -0.106333 logG= -0.006540 TDE= -0.042469 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004889 tlogG= -0.024006 logG= -0.028894 Density= 0.321551 ETOT(band)= -0.351196 trlgG= -0.441859 logG= -0.028894 TDE= -0.171258 logGD-logG0= -0.005315 tlogG= -0.023761 logG= -0.029077 Density= 0.216278 ETOT(band)= -0.233087 trlgG= -0.293745 logG= -0.029077 TDE= -0.171459 logGD-logG0= -0.004695 tlogG= -0.023972 logG= -0.028667 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212786 ETOT(band)= -0.234339 trlgG= -0.293843 logG= -0.028667 TDE= -0.170864 logGD-logG0= -0.005135 tlogG= -0.024157 logG= -0.029291 logGD-logG0= -0.005433 tlogG= -0.024122 logG= -0.029555 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214735 ETOT(band)= -0.234223 trlgG= -0.294872 logG= -0.029291 TDE= -0.171268 Density= 0.215719 ETOT(band)= -0.234064 trlgG= -0.295580 logG= -0.029555 TDE= -0.171643 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005322 tlogG= -0.023414 logG= -0.028737 Density= 0.216195 ETOT(band)= -0.232708 trlgG= -0.292539 logG= -0.028737 TDE= -0.171220 logGD-logG0= -0.005481 tlogG= -0.023898 logG= -0.029379 logGD-logG0= -0.005160 tlogG= -0.024162 logG= -0.029322 Density= 0.215644 ETOT(band)= -0.233811 trlgG= -0.294891 logG= -0.029379 TDE= -0.171466 Density= 0.322434 ETOT(band)= -0.351303 trlgG= -0.442532 logG= -0.029322 TDE= -0.171263 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010634 tlogG= -0.047786 logG= -0.058419 Density= 0.324351 ETOT(band)= -0.349988 trlgG= -0.441522 logG= -0.058419 TDE= -0.343094 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023844 logG= -0.029035 Density= 0.215493 ETOT(band)= -0.233811 trlgG= -0.294614 logG= -0.029035 TDE= -0.171145 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047234 logG= -0.057915 Density= 0.324130 ETOT(band)= -0.349622 trlgG= -0.440175 logG= -0.057915 TDE= -0.342702 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.023836 logG= -0.028788 Density= 0.213557 ETOT(band)= -0.234211 trlgG= -0.294093 logG= -0.028788 TDE= -0.171081 logGD-logG0= -0.009914 tlogG= -0.046604 logG= -0.056518 logGD-logG0= -0.010408 tlogG= -0.045626 logG= -0.056034 Density= 0.324034 ETOT(band)= -0.348026 trlgG= -0.435472 logG= -0.056034 TDE= -0.341519 Density= 0.322689 ETOT(band)= -0.349100 trlgG= -0.436916 logG= -0.056518 TDE= -0.341673 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.023367 logG= -0.028166 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321615 ETOT(band)= -0.350151 trlgG= -0.439283 logG= -0.028166 TDE= -0.170932 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023243 logG= -0.028388 Density= 0.321688 ETOT(band)= -0.350654 trlgG= -0.440132 logG= -0.028388 TDE= -0.170886 logGD-logG0= -0.004856 tlogG= -0.024007 logG= -0.028863 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214109 ETOT(band)= -0.234146 trlgG= -0.294479 logG= -0.028863 TDE= -0.171263 logGD-logG0= -0.009680 tlogG= -0.046713 logG= -0.056393 logGD-logG0= -0.001731 tlogG= -0.007116 logG= -0.008847 Density= 0.072226 ETOT(band)= -0.076498 trlgG= -0.094952 logG= -0.008847 TDE= -0.056633 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427854 ETOT(band)= -0.466257 trlgG= -0.582543 logG= -0.056393 TDE= -0.341284 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024083 logG= -0.029449 Density= 0.323059 ETOT(band)= -0.351273 trlgG= -0.443181 logG= -0.029449 TDE= -0.171456 logGD-logG0= -0.005465 tlogG= -0.023958 logG= -0.029423 logGD-logG0= -0.010923 tlogG= -0.048039 logG= -0.058962 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323245 ETOT(band)= -0.351064 trlgG= -0.442876 logG= -0.058962 TDE= -0.343088 Density= 0.323660 ETOT(band)= -0.350735 trlgG= -0.442616 logG= -0.029423 TDE= -0.171514 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009193 tlogG= -0.048096 logG= -0.057289 Density= 0.425488 ETOT(band)= -0.468479 trlgG= -0.587175 logG= -0.057289 TDE= -0.341844 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005022 tlogG= -0.021299 logG= -0.026320 Density= 0.162644 ETOT(band)= -0.173025 trlgG= -0.216165 logG= -0.026320 TDE= -0.169911 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005062 tlogG= -0.022292 logG= -0.027354 logGD-logG0= -0.010679 tlogG= -0.046413 logG= -0.057092 logGD-logG0= -0.005286 tlogG= -0.023193 logG= -0.028480 Density= 0.214857 ETOT(band)= -0.233012 trlgG= -0.291563 logG= -0.028480 TDE= -0.170651 Density= 0.323990 ETOT(band)= -0.348968 trlgG= -0.438091 logG= -0.057092 TDE= -0.342144 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214241 ETOT(band)= -0.232504 trlgG= -0.289790 logG= -0.027354 TDE= -0.170199 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009885 tlogG= -0.047648 logG= -0.057534 Density= 0.426637 ETOT(band)= -0.468497 trlgG= -0.587686 logG= -0.057534 TDE= -0.341863 logGD-logG0= -0.010377 tlogG= -0.048148 logG= -0.058525 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.022473 logG= -0.027504 Density= 0.429287 ETOT(band)= -0.468381 trlgG= -0.589306 logG= -0.058525 TDE= -0.342377 Density= 0.215006 ETOT(band)= -0.231724 trlgG= -0.288387 logG= -0.027504 TDE= -0.170212 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.046399 logG= -0.056563 Density= 0.429504 ETOT(band)= -0.465677 trlgG= -0.582208 logG= -0.056563 TDE= -0.341395 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009839 tlogG= -0.047768 logG= -0.057606 Density= 0.427143 ETOT(band)= -0.468044 trlgG= -0.586533 logG= -0.057606 TDE= -0.341564 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009734 tlogG= -0.046607 logG= -0.056341 Density= 0.428064 ETOT(band)= -0.466977 trlgG= -0.585150 logG= -0.056341 TDE= -0.341699 logGD-logG0= -0.010546 tlogG= -0.047956 logG= -0.058502 logGD-logG0= -0.010488 tlogG= -0.047667 logG= -0.058156 Density= 0.428270 ETOT(band)= -0.468257 trlgG= -0.587872 logG= -0.058156 TDE= -0.341972 Density= 0.429190 ETOT(band)= -0.468343 trlgG= -0.588954 logG= -0.058502 TDE= -0.342217 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010721 tlogG= -0.048069 logG= -0.058790 Density= 0.430136 ETOT(band)= -0.468211 trlgG= -0.589744 logG= -0.058790 TDE= -0.342718 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010988 tlogG= -0.047693 logG= -0.058681 Density= 0.431088 ETOT(band)= -0.467573 trlgG= -0.589380 logG= -0.058681 TDE= -0.342841 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010889 tlogG= -0.047727 logG= -0.058616 logGD-logG0= -0.010511 tlogG= -0.048220 logG= -0.058731 Density= 0.430029 ETOT(band)= -0.468381 trlgG= -0.590072 logG= -0.058731 TDE= -0.342593 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430745 ETOT(band)= -0.467632 trlgG= -0.589024 logG= -0.058616 TDE= -0.342734 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009874 tlogG= -0.047839 logG= -0.057713 Density= 0.428012 ETOT(band)= -0.468277 trlgG= -0.588544 logG= -0.057713 TDE= -0.342331 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005529 tlogG= -0.023684 logG= -0.029213 Density= 0.215404 ETOT(band)= -0.233664 trlgG= -0.294194 logG= -0.029213 TDE= -0.171289 logGD-logG0= -0.010049 tlogG= -0.047852 logG= -0.057902 Density= 0.429119 ETOT(band)= -0.468047 trlgG= -0.588508 logG= -0.057902 TDE= -0.342317 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047559 logG= -0.057789 Density= 0.428584 ETOT(band)= -0.467602 trlgG= -0.586910 logG= -0.057789 TDE= -0.342016 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010948 tlogG= -0.047266 logG= -0.058213 Density= 0.430471 ETOT(band)= -0.467209 trlgG= -0.587553 logG= -0.058213 TDE= -0.342350 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010549 tlogG= -0.046929 logG= -0.057477 logGD-logG0= -0.010912 tlogG= -0.048019 logG= -0.058931 Density= 0.429862 ETOT(band)= -0.466588 trlgG= -0.584903 logG= -0.057477 TDE= -0.341685 Density= 0.431331 ETOT(band)= -0.467855 trlgG= -0.590374 logG= -0.058931 TDE= -0.343106 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.021878 logG= -0.027072 Density= 0.216617 ETOT(band)= -0.230341 trlgG= -0.286817 logG= -0.027072 TDE= -0.170257 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010197 tlogG= -0.044619 logG= -0.054817 Density= 0.324272 ETOT(band)= -0.346758 trlgG= -0.432459 logG= -0.054817 TDE= -0.340840 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004949 tlogG= -0.022326 logG= -0.027275 logGD-logG0= -0.005104 tlogG= -0.021349 logG= -0.026453 Density= 0.217011 ETOT(band)= -0.229232 trlgG= -0.284610 logG= -0.026453 TDE= -0.169924 Density= 0.322852 ETOT(band)= -0.348070 trlgG= -0.434526 logG= -0.027275 TDE= -0.170280 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001253 tlogG= -0.005467 logG= -0.006721 Density= 0.081196 ETOT(band)= -0.086375 trlgG= -0.107495 logG= -0.006721 TDE= -0.042580 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010473 tlogG= -0.047568 logG= -0.058041 Density= 0.429995 ETOT(band)= -0.467233 trlgG= -0.586833 logG= -0.058041 TDE= -0.342131 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004909 tlogG= -0.022326 logG= -0.027235 Density= 0.215013 ETOT(band)= -0.232013 trlgG= -0.289433 logG= -0.027235 TDE= -0.170286 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010044 tlogG= -0.044623 logG= -0.054668 Density= 0.431581 ETOT(band)= -0.462198 trlgG= -0.575413 logG= -0.054668 TDE= -0.340479 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021204 logG= -0.026267 Density= 0.216334 ETOT(band)= -0.230095 trlgG= -0.285871 logG= -0.026267 TDE= -0.169831 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.900152802297 eV TrLogG= -407.741593155447 eV Ratio to renormalize= 1.000074243785 rho-rho_expected=-0.001633242009 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964720869575883 0.940542779584583 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002386 tlogG= -0.011883 logG= -0.014269 Density= 0.053557 ETOT(band)= -0.058413 trlgG= -0.073347 logG= -0.014269 TDE= -0.085581 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.024044 logG= -0.028712 Density= 0.106376 ETOT(band)= -0.117181 trlgG= -0.146964 logG= -0.028712 TDE= -0.170892 logGD-logG0= -0.005074 tlogG= -0.022166 logG= -0.027239 Density= 0.108354 ETOT(band)= -0.115450 trlgG= -0.144111 logG= -0.027239 TDE= -0.170491 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002663 tlogG= -0.012031 logG= -0.014694 Density= 0.053761 ETOT(band)= -0.058544 trlgG= -0.073765 logG= -0.014694 TDE= -0.085674 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 logGD-logG0= -0.002481 tlogG= -0.012081 logG= -0.014563 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007054 Density= 0.053581 ETOT(band)= -0.058557 trlgG= -0.073708 logG= -0.014563 TDE= -0.085660 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001526 tlogG= -0.007811 logG= -0.009337 logGD-logG0= -0.005121 tlogG= -0.023640 logG= -0.028761 Density= 0.035487 ETOT(band)= -0.038934 trlgG= -0.048663 logG= -0.009337 TDE= -0.056887 Density= 0.106970 ETOT(band)= -0.116955 trlgG= -0.146459 logG= -0.028761 TDE= -0.170632 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.023685 logG= -0.028515 Density= 0.106966 ETOT(band)= -0.116867 trlgG= -0.146650 logG= -0.028515 TDE= -0.171067 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.023890 logG= -0.028917 Density= 0.106748 ETOT(band)= -0.117139 trlgG= -0.147073 logG= -0.028917 TDE= -0.170980 logGD-logG0= -0.005003 tlogG= -0.024067 logG= -0.029071 Density= 0.107049 ETOT(band)= -0.117119 trlgG= -0.147326 logG= -0.029071 TDE= -0.171229 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001446 tlogG= -0.008044 logG= -0.009490 Density= 0.035308 ETOT(band)= -0.039087 trlgG= -0.049028 logG= -0.009490 TDE= -0.057011 logGD-logG0= -0.002618 tlogG= -0.011983 logG= -0.014601 Density= 0.054137 ETOT(band)= -0.058305 trlgG= -0.073625 logG= -0.014601 TDE= -0.085814 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002392 tlogG= -0.011447 logG= -0.013839 logGD-logG0= -0.005224 tlogG= -0.022979 logG= -0.028204 Density= 0.053732 ETOT(band)= -0.058082 trlgG= -0.072581 logG= -0.013839 TDE= -0.085331 Density= 0.108131 ETOT(band)= -0.116129 trlgG= -0.145668 logG= -0.028204 TDE= -0.170972 logGD-logG0= -0.004444 tlogG= -0.024050 logG= -0.028494 logGD-logG0= -0.005270 tlogG= -0.023761 logG= -0.029031 Density= 0.106102 ETOT(band)= -0.117194 trlgG= -0.146957 logG= -0.028494 TDE= -0.170968 Density= 0.108176 ETOT(band)= -0.116561 trlgG= -0.146977 logG= -0.029031 TDE= -0.171477 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004471 tlogG= -0.023973 logG= -0.028444 Density= 0.106154 ETOT(band)= -0.117150 trlgG= -0.146843 logG= -0.028444 TDE= -0.170930 logGD-logG0= -0.005257 tlogG= -0.023948 logG= -0.029205 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005402 tlogG= -0.024068 logG= -0.029470 Density= 0.107640 ETOT(band)= -0.117089 trlgG= -0.147675 logG= -0.029470 TDE= -0.171470 Density= 0.108227 ETOT(band)= -0.116635 trlgG= -0.147255 logG= -0.029205 TDE= -0.171607 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.023204 logG= -0.027947 Density= 0.106724 ETOT(band)= -0.116648 trlgG= -0.145633 logG= -0.027947 TDE= -0.170499 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.022454 logG= -0.027610 Density= 0.108198 ETOT(band)= -0.115757 trlgG= -0.144720 logG= -0.027610 TDE= -0.170652 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002688 tlogG= -0.011987 logG= -0.014675 logGD-logG0= -0.005266 tlogG= -0.023428 logG= -0.028693 Density= 0.108128 ETOT(band)= -0.116399 trlgG= -0.146442 logG= -0.028693 TDE= -0.171256 Density= 0.053982 ETOT(band)= -0.058427 trlgG= -0.073747 logG= -0.014675 TDE= -0.085786 logGD-logG0= -0.005409 tlogG= -0.023682 logG= -0.029091 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.023899 logG= -0.029333 Density= 0.107749 ETOT(band)= -0.116955 trlgG= -0.147459 logG= -0.029333 TDE= -0.171445 Density= 0.107226 ETOT(band)= -0.117025 trlgG= -0.147008 logG= -0.029091 TDE= -0.170978 logGD-logG0= -0.005247 tlogG= -0.023603 logG= -0.028850 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108201 ETOT(band)= -0.116445 trlgG= -0.146686 logG= -0.028850 TDE= -0.171380 logGD-logG0= -0.005217 tlogG= -0.023213 logG= -0.028430 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023965 logG= -0.029316 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.022730 logG= -0.027882 Density= 0.108244 ETOT(band)= -0.115893 trlgG= -0.145156 logG= -0.027882 TDE= -0.170838 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108191 ETOT(band)= -0.116222 trlgG= -0.146023 logG= -0.028430 TDE= -0.171131 logGD-logG0= -0.005443 tlogG= -0.024132 logG= -0.029574 logGD-logG0= -0.004984 tlogG= -0.022847 logG= -0.027831 Density= 0.107741 ETOT(band)= -0.116115 trlgG= -0.145086 logG= -0.027831 TDE= -0.170571 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107440 ETOT(band)= -0.117076 trlgG= -0.147402 logG= -0.029316 TDE= -0.171252 Density= 0.107809 ETOT(band)= -0.117084 trlgG= -0.147863 logG= -0.029574 TDE= -0.171638 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022406 logG= -0.027538 logGD-logG0= -0.004802 tlogG= -0.023667 logG= -0.028469 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.022872 logG= -0.028104 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004829 tlogG= -0.022988 logG= -0.027817 Density= 0.107609 ETOT(band)= -0.116319 trlgG= -0.145498 logG= -0.028104 TDE= -0.170645 Density= 0.106860 ETOT(band)= -0.116517 trlgG= -0.145369 logG= -0.027817 TDE= -0.170432 Density= 0.106586 ETOT(band)= -0.116986 trlgG= -0.146547 logG= -0.028469 TDE= -0.170823 logGD-logG0= -0.005409 tlogG= -0.024085 logG= -0.029495 Density= 0.107626 ETOT(band)= -0.115986 trlgG= -0.144602 logG= -0.027538 TDE= -0.170323 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107886 ETOT(band)= -0.116996 trlgG= -0.147737 logG= -0.029495 TDE= -0.171630 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.023686 logG= -0.028638 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107372 ETOT(band)= -0.116746 trlgG= -0.146556 logG= -0.028638 TDE= -0.171051 logGD-logG0= -0.002522 tlogG= -0.010840 logG= -0.013361 Density= 0.054059 ETOT(band)= -0.057601 trlgG= -0.071620 logG= -0.013361 TDE= -0.085010 logGD-logG0= -0.005116 tlogG= -0.024090 logG= -0.029207 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107374 ETOT(band)= -0.117056 trlgG= -0.147298 logG= -0.029207 TDE= -0.171225 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004861 tlogG= -0.022850 logG= -0.027711 logGD-logG0= -0.005424 tlogG= -0.023192 logG= -0.028617 Density= 0.107678 ETOT(band)= -0.116566 trlgG= -0.146308 logG= -0.028617 TDE= -0.170976 Density= 0.107287 ETOT(band)= -0.116261 trlgG= -0.145215 logG= -0.027711 TDE= -0.170596 logGD-logG0= -0.005244 tlogG= -0.023869 logG= -0.029113 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108248 ETOT(band)= -0.116571 trlgG= -0.147106 logG= -0.029113 TDE= -0.171560 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023868 logG= -0.029263 Density= 0.107913 ETOT(band)= -0.116823 trlgG= -0.147351 logG= -0.029263 TDE= -0.171489 logGD-logG0= -0.002461 tlogG= -0.010424 logG= -0.012885 Density= 0.054375 ETOT(band)= -0.057083 trlgG= -0.070772 logG= -0.012885 TDE= -0.084794 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005433 tlogG= -0.023577 logG= -0.029010 Density= 0.107797 ETOT(band)= -0.116727 trlgG= -0.146936 logG= -0.029010 TDE= -0.171270 logGD-logG0= -0.010029 tlogG= -0.048240 logG= -0.058269 logGD-logG0= -0.009712 tlogG= -0.045756 logG= -0.055468 Density= 0.215001 ETOT(band)= -0.232355 trlgG= -0.290330 logG= -0.055468 TDE= -0.341256 logGD-logG0= -0.010175 tlogG= -0.047897 logG= -0.058072 Density= 0.213955 ETOT(band)= -0.234235 trlgG= -0.294416 logG= -0.058072 TDE= -0.342219 Density= 0.214390 ETOT(band)= -0.234195 trlgG= -0.294725 logG= -0.058269 TDE= -0.342546 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009895 tlogG= -0.047156 logG= -0.057051 Density= 0.213748 ETOT(band)= -0.233793 trlgG= -0.293153 logG= -0.057051 TDE= -0.341875 logGD-logG0= -0.009353 tlogG= -0.047628 logG= -0.056982 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212901 ETOT(band)= -0.234096 trlgG= -0.293229 logG= -0.056982 TDE= -0.341602 logGD-logG0= -0.010705 tlogG= -0.048077 logG= -0.058782 logGD-logG0= -0.005384 tlogG= -0.024057 logG= -0.029440 logGD-logG0= -0.010750 tlogG= -0.047743 logG= -0.058493 Density= 0.214749 ETOT(band)= -0.234116 trlgG= -0.294557 logG= -0.058493 TDE= -0.342333 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215065 ETOT(band)= -0.234168 trlgG= -0.295067 logG= -0.058782 TDE= -0.342709 Density= 0.107945 ETOT(band)= -0.116929 trlgG= -0.147648 logG= -0.029440 TDE= -0.171624 logGD-logG0= -0.010056 tlogG= -0.047151 logG= -0.057207 Density= 0.213760 ETOT(band)= -0.233836 trlgG= -0.292944 logG= -0.057207 TDE= -0.341516 logGD-logG0= -0.009991 tlogG= -0.045587 logG= -0.055578 Density= 0.214343 ETOT(band)= -0.232707 trlgG= -0.290511 logG= -0.055578 TDE= -0.341001 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010554 tlogG= -0.047975 logG= -0.058529 Density= 0.215067 ETOT(band)= -0.234024 trlgG= -0.294651 logG= -0.058529 TDE= -0.342547 logGD-logG0= -0.009667 tlogG= -0.047444 logG= -0.057111 logGD-logG0= -0.010299 tlogG= -0.048025 logG= -0.058324 Density= 0.214295 ETOT(band)= -0.233621 trlgG= -0.293280 logG= -0.057111 TDE= -0.342214 logGD-logG0= -0.010615 tlogG= -0.047783 logG= -0.058398 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010097 tlogG= -0.045645 logG= -0.055741 Density= 0.214522 ETOT(band)= -0.234141 trlgG= -0.294472 logG= -0.058324 TDE= -0.342305 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215135 ETOT(band)= -0.232429 trlgG= -0.290320 logG= -0.055741 TDE= -0.341038 Density= 0.214647 ETOT(band)= -0.234111 trlgG= -0.294389 logG= -0.058398 TDE= -0.342209 logGD-logG0= -0.001663 tlogG= -0.006990 logG= -0.008654 Density= 0.036194 ETOT(band)= -0.038134 trlgG= -0.047300 logG= -0.008654 TDE= -0.056557 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047927 logG= -0.057711 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213253 ETOT(band)= -0.234302 trlgG= -0.293872 logG= -0.057711 TDE= -0.341689 logGD-logG0= -0.001729 tlogG= -0.007304 logG= -0.009033 Density= 0.035840 ETOT(band)= -0.038584 trlgG= -0.047963 logG= -0.009033 TDE= -0.056665 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010643 tlogG= -0.047304 logG= -0.057947 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010901 tlogG= -0.048141 logG= -0.059041 logGD-logG0= -0.010851 tlogG= -0.046873 logG= -0.057724 Density= 0.215423 ETOT(band)= -0.233378 trlgG= -0.293394 logG= -0.057724 TDE= -0.342272 Density= 0.215420 ETOT(band)= -0.234184 trlgG= -0.295530 logG= -0.059041 TDE= -0.343089 logGD-logG0= -0.010787 tlogG= -0.048011 logG= -0.058798 Density= 0.214250 ETOT(band)= -0.234013 trlgG= -0.293642 logG= -0.057947 TDE= -0.341716 logGD-logG0= -0.010416 tlogG= -0.047656 logG= -0.058073 Density= 0.213936 ETOT(band)= -0.234222 trlgG= -0.294168 logG= -0.058073 TDE= -0.341961 logGD-logG0= -0.010765 tlogG= -0.047938 logG= -0.058703 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215102 ETOT(band)= -0.234159 trlgG= -0.295094 logG= -0.058798 TDE= -0.342739 Density= 0.215894 ETOT(band)= -0.233728 trlgG= -0.294995 logG= -0.058703 TDE= -0.343127 logGD-logG0= -0.010840 tlogG= -0.047525 logG= -0.058365 Density= 0.215696 ETOT(band)= -0.233613 trlgG= -0.294434 logG= -0.058365 TDE= -0.342806 logGD-logG0= -0.010809 tlogG= -0.047416 logG= -0.058225 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215462 ETOT(band)= -0.233654 trlgG= -0.294195 logG= -0.058225 TDE= -0.342592 logGD-logG0= -0.010411 tlogG= -0.046407 logG= -0.056818 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215205 ETOT(band)= -0.232989 trlgG= -0.291953 logG= -0.056818 TDE= -0.341628 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010820 tlogG= -0.047887 logG= -0.058707 Density= 0.215765 ETOT(band)= -0.233801 trlgG= -0.294999 logG= -0.058707 TDE= -0.343063 logGD-logG0= -0.010022 tlogG= -0.047221 logG= -0.057242 Density= 0.214463 ETOT(band)= -0.233581 trlgG= -0.293052 logG= -0.057242 TDE= -0.341937 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010323 tlogG= -0.047147 logG= -0.057471 Density= 0.215142 ETOT(band)= -0.233390 trlgG= -0.292971 logG= -0.057471 TDE= -0.341963 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.021871 logG= -0.026979 Density= 0.108318 ETOT(band)= -0.115267 trlgG= -0.143662 logG= -0.026979 TDE= -0.170284 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004856 tlogG= -0.023498 logG= -0.028354 logGD-logG0= -0.005022 tlogG= -0.021560 logG= -0.026582 Density= 0.106762 ETOT(band)= -0.116838 trlgG= -0.146116 logG= -0.028354 TDE= -0.170594 logGD-logG0= -0.004940 tlogG= -0.020985 logG= -0.025925 Density= 0.108508 ETOT(band)= -0.114900 trlgG= -0.142981 logG= -0.026582 TDE= -0.170094 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108705 ETOT(band)= -0.114312 trlgG= -0.141823 logG= -0.025925 TDE= -0.169690 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005187 tlogG= -0.021815 logG= -0.027003 Density= 0.107780 ETOT(band)= -0.115558 trlgG= -0.143726 logG= -0.027003 TDE= -0.170058 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005127 tlogG= -0.021692 logG= -0.026820 Density= 0.107923 ETOT(band)= -0.115365 trlgG= -0.143416 logG= -0.026820 TDE= -0.170002 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010249 tlogG= -0.043384 logG= -0.053634 Density= 0.216263 ETOT(band)= -0.230518 trlgG= -0.286805 logG= -0.053634 TDE= -0.340189 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001287 tlogG= -0.005747 logG= -0.007034 Density= 0.080631 ETOT(band)= -0.087416 trlgG= -0.109736 logG= -0.007034 TDE= -0.042753 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023971 logG= -0.028666 logGD-logG0= -0.005234 tlogG= -0.022436 logG= -0.027670 Density= 0.212785 ETOT(band)= -0.234332 trlgG= -0.293833 logG= -0.028666 TDE= -0.170860 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216360 ETOT(band)= -0.231332 trlgG= -0.288928 logG= -0.027670 TDE= -0.170593 logGD-logG0= -0.001267 tlogG= -0.005618 logG= -0.006885 Density= 0.080832 ETOT(band)= -0.086987 trlgG= -0.108732 logG= -0.006885 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023880 logG= -0.028915 Density= 0.213772 ETOT(band)= -0.234064 trlgG= -0.293344 logG= -0.028915 TDE= -0.170821 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005938 logG= -0.007244 logGD-logG0= -0.004857 tlogG= -0.024005 logG= -0.028862 Density= 0.080830 ETOT(band)= -0.087665 trlgG= -0.110487 logG= -0.007244 TDE= -0.042873 Density= 0.214107 ETOT(band)= -0.234139 trlgG= -0.294468 logG= -0.028862 TDE= -0.171258 logGD-logG0= -0.001302 tlogG= -0.005855 logG= -0.007156 Density= 0.080645 ETOT(band)= -0.087631 trlgG= -0.110291 logG= -0.007156 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.023369 logG= -0.028136 Density= 0.214166 ETOT(band)= -0.233428 trlgG= -0.292675 logG= -0.028136 TDE= -0.170936 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023955 logG= -0.029150 logGD-logG0= -0.004952 tlogG= -0.023835 logG= -0.028786 Density= 0.213555 ETOT(band)= -0.234204 trlgG= -0.294083 logG= -0.028786 TDE= -0.171077 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214329 ETOT(band)= -0.234146 trlgG= -0.294249 logG= -0.029150 TDE= -0.171091 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001305 tlogG= -0.005983 logG= -0.007288 Density= 0.081060 ETOT(band)= -0.087567 trlgG= -0.110538 logG= -0.007288 TDE= -0.042903 logGD-logG0= -0.005296 tlogG= -0.022965 logG= -0.028261 Density= 0.216218 ETOT(band)= -0.232129 trlgG= -0.290914 logG= -0.028261 TDE= -0.170928 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023412 logG= -0.028735 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216193 ETOT(band)= -0.232702 trlgG= -0.292529 logG= -0.028735 TDE= -0.171215 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004899 tlogG= -0.023243 logG= -0.028142 Density= 0.213477 ETOT(band)= -0.233673 trlgG= -0.292566 logG= -0.028142 TDE= -0.170773 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023192 logG= -0.028478 Density= 0.214855 ETOT(band)= -0.233005 trlgG= -0.291553 logG= -0.028478 TDE= -0.170646 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005553 tlogG= -0.023351 logG= -0.028904 Density= 0.215098 ETOT(band)= -0.233402 trlgG= -0.293046 logG= -0.028904 TDE= -0.170991 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.023999 logG= -0.029339 Density= 0.215683 ETOT(band)= -0.233902 trlgG= -0.295154 logG= -0.029339 TDE= -0.171605 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001472 tlogG= -0.007965 logG= -0.009437 Density= 0.070857 ETOT(band)= -0.077971 trlgG= -0.097569 logG= -0.009437 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.023797 logG= -0.029171 Density= 0.215328 ETOT(band)= -0.233810 trlgG= -0.294500 logG= -0.029171 TDE= -0.171453 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023997 logG= -0.029300 Density= 0.216353 ETOT(band)= -0.233382 trlgG= -0.294672 logG= -0.029300 TDE= -0.171623 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005369 tlogG= -0.023479 logG= -0.028848 Density= 0.215206 ETOT(band)= -0.233376 trlgG= -0.293238 logG= -0.028848 TDE= -0.171195 logGD-logG0= -0.004418 tlogG= -0.024130 logG= -0.028548 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212142 ETOT(band)= -0.234439 trlgG= -0.294038 logG= -0.028548 TDE= -0.171007 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005467 logG= -0.006720 Density= 0.081195 ETOT(band)= -0.086373 trlgG= -0.107491 logG= -0.006720 TDE= -0.042579 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.022324 logG= -0.027234 Density= 0.215011 ETOT(band)= -0.232006 trlgG= -0.289423 logG= -0.027234 TDE= -0.170281 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004889 tlogG= -0.024004 logG= -0.028893 Density= 0.321548 ETOT(band)= -0.351186 trlgG= -0.441844 logG= -0.028893 TDE= -0.171253 logGD-logG0= -0.004550 tlogG= -0.023739 logG= -0.028289 Density= 0.213061 ETOT(band)= -0.233647 trlgG= -0.292109 logG= -0.028289 TDE= -0.170808 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.024160 logG= -0.029321 Density= 0.322430 ETOT(band)= -0.351293 trlgG= -0.442517 logG= -0.029321 TDE= -0.171259 logGD-logG0= -0.004605 tlogG= -0.023585 logG= -0.028190 Density= 0.212591 ETOT(band)= -0.234056 trlgG= -0.293087 logG= -0.028190 TDE= -0.170724 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.024120 logG= -0.029554 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215716 ETOT(band)= -0.234058 trlgG= -0.295569 logG= -0.029554 TDE= -0.171638 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.047782 logG= -0.058417 Density= 0.324347 ETOT(band)= -0.349979 trlgG= -0.441507 logG= -0.058417 TDE= -0.343085 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024081 logG= -0.029447 Density= 0.323056 ETOT(band)= -0.351263 trlgG= -0.443166 logG= -0.029447 TDE= -0.171452 logGD-logG0= -0.005135 tlogG= -0.024155 logG= -0.029290 Density= 0.214733 ETOT(band)= -0.234216 trlgG= -0.294862 logG= -0.029290 TDE= -0.171264 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010924 tlogG= -0.048036 logG= -0.058960 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323242 ETOT(band)= -0.351054 trlgG= -0.442861 logG= -0.058960 TDE= -0.343079 logGD-logG0= -0.005316 tlogG= -0.023760 logG= -0.029076 Density= 0.216275 ETOT(band)= -0.233080 trlgG= -0.293735 logG= -0.029076 TDE= -0.171454 logGD-logG0= -0.005192 tlogG= -0.023842 logG= -0.029034 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215491 ETOT(band)= -0.233805 trlgG= -0.294604 logG= -0.029034 TDE= -0.171141 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.045623 logG= -0.056032 logGD-logG0= -0.004800 tlogG= -0.023365 logG= -0.028165 Density= 0.321612 ETOT(band)= -0.350140 trlgG= -0.439268 logG= -0.028165 TDE= -0.170928 Density= 0.324031 ETOT(band)= -0.348016 trlgG= -0.435457 logG= -0.056032 TDE= -0.341510 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.046409 logG= -0.057090 Density= 0.323987 ETOT(band)= -0.348958 trlgG= -0.438076 logG= -0.057090 TDE= -0.342135 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005481 tlogG= -0.023896 logG= -0.029378 Density= 0.215642 ETOT(band)= -0.233804 trlgG= -0.294881 logG= -0.029378 TDE= -0.171462 logGD-logG0= -0.001620 tlogG= -0.006872 logG= -0.008492 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009915 tlogG= -0.046600 logG= -0.056515 Density= 0.040846 ETOT(band)= -0.042682 trlgG= -0.052857 logG= -0.008492 TDE= -0.056471 Density= 0.322686 ETOT(band)= -0.349090 trlgG= -0.436901 logG= -0.056515 TDE= -0.341665 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.022903 logG= -0.027986 Density= 0.214780 ETOT(band)= -0.232453 trlgG= -0.290023 logG= -0.027986 TDE= -0.170459 logGD-logG0= -0.010682 tlogG= -0.047231 logG= -0.057913 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324126 ETOT(band)= -0.349613 trlgG= -0.440160 logG= -0.057913 TDE= -0.342693 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005466 tlogG= -0.023956 logG= -0.029422 Density= 0.323656 ETOT(band)= -0.350725 trlgG= -0.442601 logG= -0.029422 TDE= -0.171510 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009874 tlogG= -0.047836 logG= -0.057710 logGD-logG0= -0.005146 tlogG= -0.023242 logG= -0.028387 Density= 0.428008 ETOT(band)= -0.468263 trlgG= -0.588523 logG= -0.057710 TDE= -0.342322 Density= 0.321684 ETOT(band)= -0.350643 trlgG= -0.440117 logG= -0.028387 TDE= -0.170882 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005530 tlogG= -0.023682 logG= -0.029212 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001610 tlogG= -0.007588 logG= -0.009198 Density= 0.071490 ETOT(band)= -0.077366 trlgG= -0.096267 logG= -0.009198 TDE= -0.056747 Density= 0.215402 ETOT(band)= -0.233658 trlgG= -0.294184 logG= -0.029212 TDE= -0.171284 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009194 tlogG= -0.048093 logG= -0.057286 Density= 0.425484 ETOT(band)= -0.468464 trlgG= -0.587154 logG= -0.057286 TDE= -0.341836 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010378 tlogG= -0.048144 logG= -0.058522 Density= 0.429283 ETOT(band)= -0.468367 trlgG= -0.589285 logG= -0.058522 TDE= -0.342368 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.046710 logG= -0.056390 Density= 0.427850 ETOT(band)= -0.466243 trlgG= -0.582523 logG= -0.056390 TDE= -0.341276 logGD-logG0= -0.010547 tlogG= -0.047952 logG= -0.058499 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429186 ETOT(band)= -0.468329 trlgG= -0.588933 logG= -0.058499 TDE= -0.342208 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010489 tlogG= -0.047664 logG= -0.058153 logGD-logG0= -0.010050 tlogG= -0.047849 logG= -0.057899 Density= 0.428265 ETOT(band)= -0.468243 trlgG= -0.587852 logG= -0.058153 TDE= -0.341963 Density= 0.429115 ETOT(band)= -0.468033 trlgG= -0.588488 logG= -0.057899 TDE= -0.342308 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009735 tlogG= -0.046603 logG= -0.056338 Density= 0.428060 ETOT(band)= -0.466963 trlgG= -0.585130 logG= -0.056338 TDE= -0.341691 logGD-logG0= -0.010722 tlogG= -0.048066 logG= -0.058788 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430131 ETOT(band)= -0.468197 trlgG= -0.589723 logG= -0.058788 TDE= -0.342709 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009839 tlogG= -0.047765 logG= -0.057604 Density= 0.427139 ETOT(band)= -0.468030 trlgG= -0.586513 logG= -0.057604 TDE= -0.341556 logGD-logG0= -0.010890 tlogG= -0.047723 logG= -0.058613 Density= 0.430740 ETOT(band)= -0.467618 trlgG= -0.589004 logG= -0.058613 TDE= -0.342725 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005022 tlogG= -0.021297 logG= -0.026319 Density= 0.162643 ETOT(band)= -0.173020 trlgG= -0.216157 logG= -0.026319 TDE= -0.169907 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005296 tlogG= -0.023954 logG= -0.029250 Density= 0.216387 ETOT(band)= -0.233278 trlgG= -0.294439 logG= -0.029250 TDE= -0.171596 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.046396 logG= -0.056560 Density= 0.429500 ETOT(band)= -0.465663 trlgG= -0.582188 logG= -0.056560 TDE= -0.341386 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010989 tlogG= -0.047689 logG= -0.058679 Density= 0.431083 ETOT(band)= -0.467560 trlgG= -0.589360 logG= -0.058679 TDE= -0.342832 logGD-logG0= -0.010511 tlogG= -0.048217 logG= -0.058728 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430024 ETOT(band)= -0.468368 trlgG= -0.590051 logG= -0.058728 TDE= -0.342584 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010914 tlogG= -0.048015 logG= -0.058929 Density= 0.431326 ETOT(band)= -0.467841 trlgG= -0.590354 logG= -0.058929 TDE= -0.343097 logGD-logG0= -0.009885 tlogG= -0.047646 logG= -0.057531 Density= 0.426633 ETOT(band)= -0.468483 trlgG= -0.587666 logG= -0.057531 TDE= -0.341854 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010231 tlogG= -0.047555 logG= -0.057786 Density= 0.428580 ETOT(band)= -0.467588 trlgG= -0.586890 logG= -0.057786 TDE= -0.342007 logGD-logG0= -0.010549 tlogG= -0.046926 logG= -0.057475 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005306 logG= -0.006540 Density= 0.081555 ETOT(band)= -0.085704 trlgG= -0.106329 logG= -0.006540 TDE= -0.042468 logGD-logG0= -0.004949 tlogG= -0.022325 logG= -0.027274 Density= 0.322849 ETOT(band)= -0.348060 trlgG= -0.434511 logG= -0.027274 TDE= -0.170275 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429857 ETOT(band)= -0.466574 trlgG= -0.584883 logG= -0.057475 TDE= -0.341676 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010948 tlogG= -0.047263 logG= -0.058211 Density= 0.430466 ETOT(band)= -0.467195 trlgG= -0.587532 logG= -0.058211 TDE= -0.342341 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.047565 logG= -0.058039 Density= 0.429991 ETOT(band)= -0.467219 trlgG= -0.586813 logG= -0.058039 TDE= -0.342121 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005170 logG= -0.006385 Density= 0.062534 ETOT(band)= -0.067561 trlgG= -0.084306 logG= -0.006385 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010198 tlogG= -0.044616 logG= -0.054815 Density= 0.324269 ETOT(band)= -0.346748 trlgG= -0.432444 logG= -0.054815 TDE= -0.340831 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001732 tlogG= -0.007116 logG= -0.008847 Density= 0.072225 ETOT(band)= -0.076496 trlgG= -0.094949 logG= -0.008847 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.022290 logG= -0.027353 Density= 0.214239 ETOT(band)= -0.232497 trlgG= -0.289780 logG= -0.027353 TDE= -0.170195 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.022472 logG= -0.027503 Density= 0.215004 ETOT(band)= -0.231717 trlgG= -0.288377 logG= -0.027503 TDE= -0.170208 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004721 tlogG= -0.023888 logG= -0.028609 Density= 0.213260 ETOT(band)= -0.233920 trlgG= -0.292836 logG= -0.028609 TDE= -0.170811 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.021876 logG= -0.027071 Density= 0.216615 ETOT(band)= -0.230334 trlgG= -0.286808 logG= -0.027071 TDE= -0.170253 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005105 tlogG= -0.021347 logG= -0.026452 Density= 0.217009 ETOT(band)= -0.229226 trlgG= -0.284601 logG= -0.026452 TDE= -0.169920 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005064 tlogG= -0.021202 logG= -0.026265 Density= 0.216332 ETOT(band)= -0.230088 trlgG= -0.285862 logG= -0.026265 TDE= -0.169827 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010045 tlogG= -0.044620 logG= -0.054666 Density= 0.431577 ETOT(band)= -0.462185 trlgG= -0.575393 logG= -0.054666 TDE= -0.340471 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.890654085902 eV TrLogG= -407.725986178104 eV Ratio to renormalize= 1.000084314944 rho-rho_expected=-0.001854772388 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 65) Finished k-point number 132 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964705858889464 0.940527898298523 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002386 tlogG= -0.011883 logG= -0.014269 Density= 0.053557 ETOT(band)= -0.058414 trlgG= -0.073347 logG= -0.014269 TDE= -0.085581 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007054 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002663 tlogG= -0.012031 logG= -0.014695 Density= 0.053761 ETOT(band)= -0.058545 trlgG= -0.073765 logG= -0.014695 TDE= -0.085674 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002392 tlogG= -0.011447 logG= -0.013839 Density= 0.053732 ETOT(band)= -0.058083 trlgG= -0.072582 logG= -0.013839 TDE= -0.085332 logGD-logG0= -0.002481 tlogG= -0.012081 logG= -0.014563 Density= 0.053581 ETOT(band)= -0.058557 trlgG= -0.073709 logG= -0.014563 TDE= -0.085661 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001446 tlogG= -0.008044 logG= -0.009490 Density= 0.035308 ETOT(band)= -0.039087 trlgG= -0.049029 logG= -0.009490 TDE= -0.057011 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001526 tlogG= -0.007811 logG= -0.009337 Density= 0.035487 ETOT(band)= -0.038935 trlgG= -0.048663 logG= -0.009337 TDE= -0.056887 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002618 tlogG= -0.011983 logG= -0.014601 Density= 0.054137 ETOT(band)= -0.058306 trlgG= -0.073626 logG= -0.014601 TDE= -0.085814 logGD-logG0= -0.005270 tlogG= -0.023762 logG= -0.029032 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108176 ETOT(band)= -0.116562 trlgG= -0.146979 logG= -0.029032 TDE= -0.171478 logGD-logG0= -0.005224 tlogG= -0.022980 logG= -0.028204 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108131 ETOT(band)= -0.116130 trlgG= -0.145669 logG= -0.028204 TDE= -0.170974 logGD-logG0= -0.005257 tlogG= -0.023948 logG= -0.029205 Density= 0.108227 ETOT(band)= -0.116636 trlgG= -0.147257 logG= -0.029205 TDE= -0.171608 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023428 logG= -0.028694 Density= 0.108128 ETOT(band)= -0.116400 trlgG= -0.146443 logG= -0.028694 TDE= -0.171257 logGD-logG0= -0.005156 tlogG= -0.022454 logG= -0.027610 Density= 0.108199 ETOT(band)= -0.115758 trlgG= -0.144721 logG= -0.027610 TDE= -0.170653 logGD-logG0= -0.004668 tlogG= -0.024044 logG= -0.028712 Density= 0.106376 ETOT(band)= -0.117182 trlgG= -0.146965 logG= -0.028712 TDE= -0.170893 logGD-logG0= -0.004470 tlogG= -0.023974 logG= -0.028444 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023204 logG= -0.027947 Density= 0.106724 ETOT(band)= -0.116649 trlgG= -0.145635 logG= -0.027947 TDE= -0.170500 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106154 ETOT(band)= -0.117152 trlgG= -0.146845 logG= -0.028444 TDE= -0.170932 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002688 tlogG= -0.011987 logG= -0.014675 logGD-logG0= -0.005073 tlogG= -0.022166 logG= -0.027240 Density= 0.053982 ETOT(band)= -0.058427 trlgG= -0.073748 logG= -0.014675 TDE= -0.085786 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108354 ETOT(band)= -0.115451 trlgG= -0.144113 logG= -0.027240 TDE= -0.170492 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023682 logG= -0.029091 Density= 0.107226 ETOT(band)= -0.117026 trlgG= -0.147009 logG= -0.029091 TDE= -0.170979 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023869 logG= -0.029113 logGD-logG0= -0.005247 tlogG= -0.023603 logG= -0.028850 Density= 0.108202 ETOT(band)= -0.116446 trlgG= -0.146687 logG= -0.028850 TDE= -0.171381 logGD-logG0= -0.005152 tlogG= -0.022731 logG= -0.027883 logGD-logG0= -0.004952 tlogG= -0.023686 logG= -0.028638 logGD-logG0= -0.005121 tlogG= -0.023641 logG= -0.028762 Density= 0.106970 ETOT(band)= -0.116956 trlgG= -0.146460 logG= -0.028762 TDE= -0.170633 logGD-logG0= -0.004829 tlogG= -0.022988 logG= -0.027817 Density= 0.106860 ETOT(band)= -0.116518 trlgG= -0.145371 logG= -0.027817 TDE= -0.170433 logGD-logG0= -0.005409 tlogG= -0.024086 logG= -0.029495 Density= 0.108248 ETOT(band)= -0.116572 trlgG= -0.147108 logG= -0.029113 TDE= -0.171561 Density= 0.108245 ETOT(band)= -0.115894 trlgG= -0.145157 logG= -0.027883 TDE= -0.170839 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107372 ETOT(band)= -0.116747 trlgG= -0.146558 logG= -0.028638 TDE= -0.171053 Density= 0.107886 ETOT(band)= -0.116997 trlgG= -0.147738 logG= -0.029495 TDE= -0.171631 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022406 logG= -0.027538 Density= 0.107626 ETOT(band)= -0.115987 trlgG= -0.144603 logG= -0.027538 TDE= -0.170324 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023213 logG= -0.028430 Density= 0.108191 ETOT(band)= -0.116223 trlgG= -0.146024 logG= -0.028430 TDE= -0.171133 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005402 tlogG= -0.024069 logG= -0.029470 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107640 ETOT(band)= -0.117090 trlgG= -0.147676 logG= -0.029470 TDE= -0.171471 logGD-logG0= -0.005434 tlogG= -0.023899 logG= -0.029333 Density= 0.107749 ETOT(band)= -0.116956 trlgG= -0.147460 logG= -0.029333 TDE= -0.171446 logGD-logG0= -0.005442 tlogG= -0.024132 logG= -0.029575 logGD-logG0= -0.004830 tlogG= -0.023685 logG= -0.028515 Density= 0.107809 ETOT(band)= -0.117085 trlgG= -0.147865 logG= -0.029575 TDE= -0.171640 Density= 0.106966 ETOT(band)= -0.116868 trlgG= -0.146652 logG= -0.028515 TDE= -0.171068 logGD-logG0= -0.004856 tlogG= -0.023499 logG= -0.028355 Density= 0.106763 ETOT(band)= -0.116839 trlgG= -0.146118 logG= -0.028355 TDE= -0.170595 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023965 logG= -0.029317 logGD-logG0= -0.005027 tlogG= -0.023891 logG= -0.028918 Density= 0.107440 ETOT(band)= -0.117077 trlgG= -0.147403 logG= -0.029317 TDE= -0.171254 logGD-logG0= -0.004984 tlogG= -0.022847 logG= -0.027831 Density= 0.106748 ETOT(band)= -0.117140 trlgG= -0.147075 logG= -0.028918 TDE= -0.170981 Density= 0.107741 ETOT(band)= -0.116116 trlgG= -0.145088 logG= -0.027831 TDE= -0.170572 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.024091 logG= -0.029207 Density= 0.107375 ETOT(band)= -0.117057 trlgG= -0.147299 logG= -0.029207 TDE= -0.171227 logGD-logG0= -0.005003 tlogG= -0.024068 logG= -0.029071 Density= 0.107049 ETOT(band)= -0.117120 trlgG= -0.147328 logG= -0.029071 TDE= -0.171230 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005424 tlogG= -0.023193 logG= -0.028617 Density= 0.107678 ETOT(band)= -0.116567 trlgG= -0.146309 logG= -0.028617 TDE= -0.170977 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004861 tlogG= -0.022850 logG= -0.027711 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.022873 logG= -0.028105 Density= 0.107610 ETOT(band)= -0.116320 trlgG= -0.145500 logG= -0.028105 TDE= -0.170646 logGD-logG0= -0.005384 tlogG= -0.024057 logG= -0.029441 Density= 0.107287 ETOT(band)= -0.116263 trlgG= -0.145217 logG= -0.027711 TDE= -0.170597 Density= 0.107945 ETOT(band)= -0.116930 trlgG= -0.147649 logG= -0.029441 TDE= -0.171625 logGD-logG0= -0.004444 tlogG= -0.024051 logG= -0.028494 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023667 logG= -0.028469 Density= 0.106586 ETOT(band)= -0.116987 trlgG= -0.146549 logG= -0.028469 TDE= -0.170824 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106102 ETOT(band)= -0.117196 trlgG= -0.146959 logG= -0.028494 TDE= -0.170969 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005432 tlogG= -0.023578 logG= -0.029010 logGD-logG0= -0.010029 tlogG= -0.048241 logG= -0.058270 Density= 0.107797 ETOT(band)= -0.116728 trlgG= -0.146938 logG= -0.029010 TDE= -0.171271 logGD-logG0= -0.005394 tlogG= -0.023869 logG= -0.029263 Density= 0.107914 ETOT(band)= -0.116824 trlgG= -0.147352 logG= -0.029263 TDE= -0.171490 Density= 0.214391 ETOT(band)= -0.234197 trlgG= -0.294728 logG= -0.058270 TDE= -0.342549 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.047898 logG= -0.058073 Density= 0.213955 ETOT(band)= -0.234237 trlgG= -0.294419 logG= -0.058073 TDE= -0.342221 logGD-logG0= -0.009991 tlogG= -0.045587 logG= -0.055579 logGD-logG0= -0.009711 tlogG= -0.045757 logG= -0.055468 Density= 0.215002 ETOT(band)= -0.232357 trlgG= -0.290333 logG= -0.055468 TDE= -0.341258 Density= 0.214344 ETOT(band)= -0.232709 trlgG= -0.290514 logG= -0.055579 TDE= -0.341003 logGD-logG0= -0.009894 tlogG= -0.047157 logG= -0.057051 Density= 0.213748 ETOT(band)= -0.233795 trlgG= -0.293156 logG= -0.057051 TDE= -0.341878 logGD-logG0= -0.009353 tlogG= -0.047629 logG= -0.056982 logGD-logG0= -0.002461 tlogG= -0.010424 logG= -0.012885 Density= 0.054375 ETOT(band)= -0.057083 trlgG= -0.070772 logG= -0.012885 TDE= -0.084795 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212901 ETOT(band)= -0.234099 trlgG= -0.293232 logG= -0.056982 TDE= -0.341604 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047928 logG= -0.057712 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213254 ETOT(band)= -0.234305 trlgG= -0.293875 logG= -0.057712 TDE= -0.341692 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010750 tlogG= -0.047744 logG= -0.058494 Density= 0.214750 ETOT(band)= -0.234118 trlgG= -0.294561 logG= -0.058494 TDE= -0.342335 logGD-logG0= -0.010705 tlogG= -0.048078 logG= -0.058783 Density= 0.215065 ETOT(band)= -0.234170 trlgG= -0.295070 logG= -0.058783 TDE= -0.342712 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010056 tlogG= -0.047151 logG= -0.057207 Density= 0.213760 ETOT(band)= -0.233838 trlgG= -0.292947 logG= -0.057207 TDE= -0.341519 logGD-logG0= -0.009666 tlogG= -0.047445 logG= -0.057111 logGD-logG0= -0.010554 tlogG= -0.047976 logG= -0.058530 Density= 0.214296 ETOT(band)= -0.233623 trlgG= -0.293283 logG= -0.057111 TDE= -0.342217 Density= 0.215068 ETOT(band)= -0.234026 trlgG= -0.294654 logG= -0.058530 TDE= -0.342550 logGD-logG0= -0.010787 tlogG= -0.048011 logG= -0.058799 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010096 tlogG= -0.045646 logG= -0.055742 Density= 0.215136 ETOT(band)= -0.232431 trlgG= -0.290323 logG= -0.055742 TDE= -0.341041 logGD-logG0= -0.010416 tlogG= -0.047657 logG= -0.058073 Density= 0.213936 ETOT(band)= -0.234224 trlgG= -0.294171 logG= -0.058073 TDE= -0.341964 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215103 ETOT(band)= -0.234161 trlgG= -0.295097 logG= -0.058799 TDE= -0.342742 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001663 tlogG= -0.006990 logG= -0.008654 Density= 0.036194 ETOT(band)= -0.038134 trlgG= -0.047300 logG= -0.008654 TDE= -0.056557 logGD-logG0= -0.010298 tlogG= -0.048026 logG= -0.058324 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214522 ETOT(band)= -0.234143 trlgG= -0.294475 logG= -0.058324 TDE= -0.342307 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001729 tlogG= -0.007304 logG= -0.009033 Density= 0.035840 ETOT(band)= -0.038584 trlgG= -0.047963 logG= -0.009033 TDE= -0.056666 logGD-logG0= -0.010839 tlogG= -0.047526 logG= -0.058365 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215697 ETOT(band)= -0.233615 trlgG= -0.294437 logG= -0.058365 TDE= -0.342809 logGD-logG0= -0.010615 tlogG= -0.047784 logG= -0.058399 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214648 ETOT(band)= -0.234113 trlgG= -0.294392 logG= -0.058399 TDE= -0.342212 logGD-logG0= -0.010851 tlogG= -0.046874 logG= -0.057725 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010643 tlogG= -0.047305 logG= -0.057948 logGD-logG0= -0.010411 tlogG= -0.046408 logG= -0.056819 Density= 0.215206 ETOT(band)= -0.232991 trlgG= -0.291956 logG= -0.056819 TDE= -0.341631 Density= 0.215424 ETOT(band)= -0.233380 trlgG= -0.293397 logG= -0.057725 TDE= -0.342275 Density= 0.214250 ETOT(band)= -0.234015 trlgG= -0.293645 logG= -0.057948 TDE= -0.341718 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010765 tlogG= -0.047939 logG= -0.058704 logGD-logG0= -0.010901 tlogG= -0.048141 logG= -0.059042 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215421 ETOT(band)= -0.234186 trlgG= -0.295533 logG= -0.059042 TDE= -0.343092 Density= 0.215894 ETOT(band)= -0.233730 trlgG= -0.294998 logG= -0.058704 TDE= -0.343130 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010022 tlogG= -0.047221 logG= -0.057243 Density= 0.214464 ETOT(band)= -0.233583 trlgG= -0.293055 logG= -0.057243 TDE= -0.341939 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010809 tlogG= -0.047417 logG= -0.058226 Density= 0.215463 ETOT(band)= -0.233656 trlgG= -0.294198 logG= -0.058226 TDE= -0.342595 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010820 tlogG= -0.047888 logG= -0.058708 Density= 0.215766 ETOT(band)= -0.233803 trlgG= -0.295001 logG= -0.058708 TDE= -0.343066 logGD-logG0= -0.002522 tlogG= -0.010840 logG= -0.013361 Density= 0.054060 ETOT(band)= -0.057602 trlgG= -0.071621 logG= -0.013361 TDE= -0.085011 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010323 tlogG= -0.047148 logG= -0.057471 Density= 0.215143 ETOT(band)= -0.233392 trlgG= -0.292974 logG= -0.057471 TDE= -0.341966 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.021561 logG= -0.026582 Density= 0.108509 ETOT(band)= -0.114901 trlgG= -0.142982 logG= -0.026582 TDE= -0.170096 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004940 tlogG= -0.020985 logG= -0.025925 Density= 0.108705 ETOT(band)= -0.114313 trlgG= -0.141824 logG= -0.025925 TDE= -0.169692 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005187 tlogG= -0.021816 logG= -0.027003 Density= 0.107780 ETOT(band)= -0.115559 trlgG= -0.143727 logG= -0.027003 TDE= -0.170059 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005108 tlogG= -0.021872 logG= -0.026979 Density= 0.108318 ETOT(band)= -0.115268 trlgG= -0.143663 logG= -0.026979 TDE= -0.170285 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010249 tlogG= -0.043385 logG= -0.053634 Density= 0.216264 ETOT(band)= -0.230520 trlgG= -0.286808 logG= -0.053634 TDE= -0.340192 logGD-logG0= -0.005127 tlogG= -0.021693 logG= -0.026820 Density= 0.107924 ETOT(band)= -0.115366 trlgG= -0.143417 logG= -0.026820 TDE= -0.170003 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001266 tlogG= -0.005619 logG= -0.006885 Density= 0.080832 ETOT(band)= -0.086988 trlgG= -0.108733 logG= -0.006885 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005938 logG= -0.007244 Density= 0.080830 ETOT(band)= -0.087665 trlgG= -0.110488 logG= -0.007244 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001287 tlogG= -0.005747 logG= -0.007034 Density= 0.080631 ETOT(band)= -0.087417 trlgG= -0.109737 logG= -0.007034 TDE= -0.042753 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001302 tlogG= -0.005855 logG= -0.007157 Density= 0.080645 ETOT(band)= -0.087631 trlgG= -0.110292 logG= -0.007157 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001305 tlogG= -0.005983 logG= -0.007288 Density= 0.081060 ETOT(band)= -0.087567 trlgG= -0.110539 logG= -0.007288 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.023798 logG= -0.029171 Density= 0.215329 ETOT(band)= -0.233812 trlgG= -0.294503 logG= -0.029171 TDE= -0.171454 logGD-logG0= -0.005303 tlogG= -0.023998 logG= -0.029300 Density= 0.216354 ETOT(band)= -0.233384 trlgG= -0.294675 logG= -0.029300 TDE= -0.171624 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005369 tlogG= -0.023479 logG= -0.028848 Density= 0.215206 ETOT(band)= -0.233378 trlgG= -0.293241 logG= -0.028848 TDE= -0.171197 logGD-logG0= -0.005192 tlogG= -0.023843 logG= -0.029035 Density= 0.215492 ETOT(band)= -0.233807 trlgG= -0.294607 logG= -0.029035 TDE= -0.171142 logGD-logG0= -0.005339 tlogG= -0.024000 logG= -0.029339 Density= 0.215684 ETOT(band)= -0.233904 trlgG= -0.295156 logG= -0.029339 TDE= -0.171607 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023956 logG= -0.029150 logGD-logG0= -0.004889 tlogG= -0.024004 logG= -0.028894 Density= 0.321549 ETOT(band)= -0.351189 trlgG= -0.441849 logG= -0.028894 TDE= -0.171255 Density= 0.214330 ETOT(band)= -0.234148 trlgG= -0.294252 logG= -0.029150 TDE= -0.171093 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023739 logG= -0.028289 Density= 0.213061 ETOT(band)= -0.233649 trlgG= -0.292112 logG= -0.028289 TDE= -0.170810 logGD-logG0= -0.004695 tlogG= -0.023971 logG= -0.028667 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212785 ETOT(band)= -0.234334 trlgG= -0.293836 logG= -0.028667 TDE= -0.170861 logGD-logG0= -0.005434 tlogG= -0.024121 logG= -0.029554 Density= 0.215717 ETOT(band)= -0.234060 trlgG= -0.295572 logG= -0.029554 TDE= -0.171639 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.024161 logG= -0.029321 Density= 0.322431 ETOT(band)= -0.351296 trlgG= -0.442521 logG= -0.029321 TDE= -0.171260 logGD-logG0= -0.005323 tlogG= -0.023413 logG= -0.028736 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216194 ETOT(band)= -0.232704 trlgG= -0.292532 logG= -0.028736 TDE= -0.171217 logGD-logG0= -0.005234 tlogG= -0.022436 logG= -0.027671 Density= 0.216361 ETOT(band)= -0.231334 trlgG= -0.288931 logG= -0.027671 TDE= -0.170594 logGD-logG0= -0.010635 tlogG= -0.047783 logG= -0.058418 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023880 logG= -0.028915 Density= 0.213772 ETOT(band)= -0.234066 trlgG= -0.293347 logG= -0.028915 TDE= -0.170823 Density= 0.324348 ETOT(band)= -0.349981 trlgG= -0.441511 logG= -0.058418 TDE= -0.343088 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.022966 logG= -0.028261 Density= 0.216218 ETOT(band)= -0.232131 trlgG= -0.290917 logG= -0.028261 TDE= -0.170929 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004605 tlogG= -0.023586 logG= -0.028191 logGD-logG0= -0.004800 tlogG= -0.023366 logG= -0.028165 Density= 0.321613 ETOT(band)= -0.350143 trlgG= -0.439272 logG= -0.028165 TDE= -0.170929 Density= 0.212591 ETOT(band)= -0.234059 trlgG= -0.293090 logG= -0.028191 TDE= -0.170725 logGD-logG0= -0.005316 tlogG= -0.023760 logG= -0.029076 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216276 ETOT(band)= -0.233082 trlgG= -0.293738 logG= -0.029076 TDE= -0.171456 logGD-logG0= -0.001215 tlogG= -0.005170 logG= -0.006385 Density= 0.062534 ETOT(band)= -0.067562 trlgG= -0.084307 logG= -0.006385 TDE= -0.042366 logGD-logG0= -0.005296 tlogG= -0.023955 logG= -0.029250 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216388 ETOT(band)= -0.233280 trlgG= -0.294442 logG= -0.029250 TDE= -0.171597 logGD-logG0= -0.004856 tlogG= -0.024006 logG= -0.028862 Density= 0.214107 ETOT(band)= -0.234141 trlgG= -0.294472 logG= -0.028862 TDE= -0.171260 logGD-logG0= -0.004952 tlogG= -0.023835 logG= -0.028787 logGD-logG0= -0.004768 tlogG= -0.023369 logG= -0.028137 Density= 0.214166 ETOT(band)= -0.233430 trlgG= -0.292678 logG= -0.028137 TDE= -0.170937 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213556 ETOT(band)= -0.234206 trlgG= -0.294086 logG= -0.028787 TDE= -0.171078 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010408 tlogG= -0.045624 logG= -0.056032 Density= 0.324032 ETOT(band)= -0.348019 trlgG= -0.435462 logG= -0.056032 TDE= -0.341513 logGD-logG0= -0.004721 tlogG= -0.023889 logG= -0.028609 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024082 logG= -0.029448 Density= 0.213260 ETOT(band)= -0.233922 trlgG= -0.292840 logG= -0.028609 TDE= -0.170813 Density= 0.323057 ETOT(band)= -0.351266 trlgG= -0.443170 logG= -0.029448 TDE= -0.171453 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047232 logG= -0.057913 Density= 0.324128 ETOT(band)= -0.349615 trlgG= -0.440165 logG= -0.057913 TDE= -0.342695 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023242 logG= -0.028388 Density= 0.321685 ETOT(band)= -0.350647 trlgG= -0.440122 logG= -0.028388 TDE= -0.170883 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004899 tlogG= -0.023243 logG= -0.028142 Density= 0.213477 ETOT(band)= -0.233675 trlgG= -0.292570 logG= -0.028142 TDE= -0.170774 logGD-logG0= -0.010680 tlogG= -0.046410 logG= -0.057091 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323988 ETOT(band)= -0.348961 trlgG= -0.438081 logG= -0.057091 TDE= -0.342138 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010924 tlogG= -0.048037 logG= -0.058960 Density= 0.323243 ETOT(band)= -0.351057 trlgG= -0.442865 logG= -0.058960 TDE= -0.343082 logGD-logG0= -0.001620 tlogG= -0.006873 logG= -0.008492 logGD-logG0= -0.005135 tlogG= -0.024155 logG= -0.029290 Density= 0.040846 ETOT(band)= -0.042682 trlgG= -0.052857 logG= -0.008492 TDE= -0.056471 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214733 ETOT(band)= -0.234218 trlgG= -0.294865 logG= -0.029290 TDE= -0.171265 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.022904 logG= -0.027987 Density= 0.214780 ETOT(band)= -0.232455 trlgG= -0.290025 logG= -0.027987 TDE= -0.170460 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005481 tlogG= -0.023897 logG= -0.029378 Density= 0.215643 ETOT(band)= -0.233806 trlgG= -0.294883 logG= -0.029378 TDE= -0.171463 logGD-logG0= -0.001472 tlogG= -0.007965 logG= -0.009437 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070857 ETOT(band)= -0.077972 trlgG= -0.097570 logG= -0.009437 TDE= -0.056972 logGD-logG0= -0.005553 tlogG= -0.023352 logG= -0.028905 Density= 0.215099 ETOT(band)= -0.233404 trlgG= -0.293049 logG= -0.028905 TDE= -0.170992 logGD-logG0= -0.005529 tlogG= -0.023683 logG= -0.029212 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215403 ETOT(band)= -0.233660 trlgG= -0.294187 logG= -0.029212 TDE= -0.171285 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009915 tlogG= -0.046601 logG= -0.056516 logGD-logG0= -0.009874 tlogG= -0.047837 logG= -0.057711 Density= 0.322687 ETOT(band)= -0.349093 trlgG= -0.436905 logG= -0.056516 TDE= -0.341667 Density= 0.428009 ETOT(band)= -0.468267 trlgG= -0.588530 logG= -0.057711 TDE= -0.342325 logGD-logG0= -0.009193 tlogG= -0.048094 logG= -0.057287 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425485 ETOT(band)= -0.468468 trlgG= -0.587161 logG= -0.057287 TDE= -0.341838 logGD-logG0= -0.001610 tlogG= -0.007588 logG= -0.009198 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.046711 logG= -0.056391 Density= 0.427851 ETOT(band)= -0.466247 trlgG= -0.582529 logG= -0.056391 TDE= -0.341278 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071490 ETOT(band)= -0.077367 trlgG= -0.096268 logG= -0.009198 TDE= -0.056747 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.048145 logG= -0.058523 Density= 0.429284 ETOT(band)= -0.468371 trlgG= -0.589292 logG= -0.058523 TDE= -0.342371 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005466 tlogG= -0.023956 logG= -0.029422 Density= 0.323657 ETOT(band)= -0.350728 trlgG= -0.442605 logG= -0.029422 TDE= -0.171511 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005467 logG= -0.006720 Density= 0.081196 ETOT(band)= -0.086374 trlgG= -0.107492 logG= -0.006720 TDE= -0.042579 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010489 tlogG= -0.047665 logG= -0.058154 logGD-logG0= -0.009885 tlogG= -0.047647 logG= -0.057532 Density= 0.428266 ETOT(band)= -0.468248 trlgG= -0.587858 logG= -0.058154 TDE= -0.341966 logGD-logG0= -0.009735 tlogG= -0.046604 logG= -0.056339 Density= 0.426634 ETOT(band)= -0.468487 trlgG= -0.587672 logG= -0.057532 TDE= -0.341857 Density= 0.428061 ETOT(band)= -0.466967 trlgG= -0.585136 logG= -0.056339 TDE= -0.341693 logGD-logG0= -0.005022 tlogG= -0.021298 logG= -0.026320 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162643 ETOT(band)= -0.173022 trlgG= -0.216159 logG= -0.026320 TDE= -0.169908 logGD-logG0= -0.010989 tlogG= -0.047690 logG= -0.058679 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431084 ETOT(band)= -0.467564 trlgG= -0.589366 logG= -0.058679 TDE= -0.342834 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010511 tlogG= -0.048218 logG= -0.058729 logGD-logG0= -0.010547 tlogG= -0.047953 logG= -0.058500 Density= 0.429187 ETOT(band)= -0.468333 trlgG= -0.588939 logG= -0.058500 TDE= -0.342211 Density= 0.430026 ETOT(band)= -0.468372 trlgG= -0.590058 logG= -0.058729 TDE= -0.342586 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.048067 logG= -0.058788 logGD-logG0= -0.010890 tlogG= -0.047724 logG= -0.058614 Density= 0.430741 ETOT(band)= -0.467622 trlgG= -0.589010 logG= -0.058614 TDE= -0.342728 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430132 ETOT(band)= -0.468201 trlgG= -0.589729 logG= -0.058788 TDE= -0.342712 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010050 tlogG= -0.047850 logG= -0.057900 Density= 0.429116 ETOT(band)= -0.468037 trlgG= -0.588494 logG= -0.057900 TDE= -0.342310 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004909 tlogG= -0.022325 logG= -0.027234 Density= 0.215011 ETOT(band)= -0.232008 trlgG= -0.289426 logG= -0.027234 TDE= -0.170283 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009839 tlogG= -0.047766 logG= -0.057605 Density= 0.427140 ETOT(band)= -0.468034 trlgG= -0.586519 logG= -0.057605 TDE= -0.341558 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010231 tlogG= -0.047556 logG= -0.057787 logGD-logG0= -0.010164 tlogG= -0.046397 logG= -0.056561 Density= 0.429501 ETOT(band)= -0.465667 trlgG= -0.582194 logG= -0.056561 TDE= -0.341388 Density= 0.428581 ETOT(band)= -0.467592 trlgG= -0.586896 logG= -0.057787 TDE= -0.342010 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010549 tlogG= -0.046926 logG= -0.057476 Density= 0.429859 ETOT(band)= -0.466578 trlgG= -0.584889 logG= -0.057476 TDE= -0.341679 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023192 logG= -0.028479 Density= 0.214855 ETOT(band)= -0.233007 trlgG= -0.291556 logG= -0.028479 TDE= -0.170648 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010913 tlogG= -0.048016 logG= -0.058929 Density= 0.431327 ETOT(band)= -0.467845 trlgG= -0.590359 logG= -0.058929 TDE= -0.343099 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010948 tlogG= -0.047263 logG= -0.058212 Density= 0.430468 ETOT(band)= -0.467199 trlgG= -0.587538 logG= -0.058212 TDE= -0.342344 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004949 tlogG= -0.022325 logG= -0.027274 Density= 0.322850 ETOT(band)= -0.348063 trlgG= -0.434515 logG= -0.027274 TDE= -0.170277 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001234 tlogG= -0.005306 logG= -0.006540 Density= 0.081555 ETOT(band)= -0.085705 trlgG= -0.106330 logG= -0.006540 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010474 tlogG= -0.047566 logG= -0.058040 Density= 0.429992 ETOT(band)= -0.467223 trlgG= -0.586819 logG= -0.058040 TDE= -0.342124 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001731 tlogG= -0.007116 logG= -0.008847 Density= 0.072226 ETOT(band)= -0.076496 trlgG= -0.094950 logG= -0.008847 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004418 tlogG= -0.024131 logG= -0.028549 Density= 0.212142 ETOT(band)= -0.234442 trlgG= -0.294042 logG= -0.028549 TDE= -0.171008 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.022290 logG= -0.027353 Density= 0.214239 ETOT(band)= -0.232500 trlgG= -0.289783 logG= -0.027353 TDE= -0.170196 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.022472 logG= -0.027503 Density= 0.215005 ETOT(band)= -0.231719 trlgG= -0.288380 logG= -0.027503 TDE= -0.170209 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.044617 logG= -0.054815 Density= 0.324270 ETOT(band)= -0.346751 trlgG= -0.432448 logG= -0.054815 TDE= -0.340834 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.021876 logG= -0.027071 Density= 0.216616 ETOT(band)= -0.230336 trlgG= -0.286810 logG= -0.027071 TDE= -0.170254 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005105 tlogG= -0.021347 logG= -0.026452 Density= 0.217009 ETOT(band)= -0.229227 trlgG= -0.284604 logG= -0.026452 TDE= -0.169921 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010045 tlogG= -0.044621 logG= -0.054666 Density= 0.431578 ETOT(band)= -0.462189 trlgG= -0.575399 logG= -0.054666 TDE= -0.340473 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021202 logG= -0.026266 Density= 0.216332 ETOT(band)= -0.230090 trlgG= -0.285864 logG= -0.026266 TDE= -0.169828 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.893492217545 eV TrLogG= -407.730570765686 eV Ratio to renormalize= 1.000081409958 rho-rho_expected=-0.001790873283 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964674809623677 0.940471496774180 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002387 tlogG= -0.011881 logG= -0.014268 Density= 0.053556 ETOT(band)= -0.058409 trlgG= -0.073341 logG= -0.014268 TDE= -0.085576 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.024041 logG= -0.028710 Density= 0.106374 ETOT(band)= -0.117173 trlgG= -0.146953 logG= -0.028710 TDE= -0.170882 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023678 logG= -0.029088 Density= 0.107223 ETOT(band)= -0.117017 trlgG= -0.146997 logG= -0.029088 TDE= -0.170968 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023209 logG= -0.028428 Density= 0.108188 ETOT(band)= -0.116215 trlgG= -0.146013 logG= -0.028428 TDE= -0.171122 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023888 logG= -0.028915 Density= 0.106745 ETOT(band)= -0.117131 trlgG= -0.147062 logG= -0.028915 TDE= -0.170970 logGD-logG0= -0.005121 tlogG= -0.023638 logG= -0.028759 Density= 0.106968 ETOT(band)= -0.116947 trlgG= -0.146448 logG= -0.028759 TDE= -0.170621 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024064 logG= -0.029069 Density= 0.107047 ETOT(band)= -0.117111 trlgG= -0.147315 logG= -0.029069 TDE= -0.171219 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004832 tlogG= -0.023681 logG= -0.028513 Density= 0.106964 ETOT(band)= -0.116859 trlgG= -0.146639 logG= -0.028513 TDE= -0.171057 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005858 logG= -0.001053 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001446 tlogG= -0.008043 logG= -0.009489 logGD-logG0= -0.001526 tlogG= -0.007810 logG= -0.009336 Density= 0.035487 ETOT(band)= -0.038932 trlgG= -0.048659 logG= -0.009336 TDE= -0.056884 Density= 0.035307 ETOT(band)= -0.039084 trlgG= -0.049025 logG= -0.009489 TDE= -0.057007 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002664 tlogG= -0.012029 logG= -0.014693 Density= 0.053759 ETOT(band)= -0.058541 trlgG= -0.073759 logG= -0.014693 TDE= -0.085669 logGD-logG0= -0.004471 tlogG= -0.023970 logG= -0.028441 Density= 0.106153 ETOT(band)= -0.117142 trlgG= -0.146832 logG= -0.028441 TDE= -0.170920 logGD-logG0= -0.002482 tlogG= -0.012079 logG= -0.014561 Density= 0.053580 ETOT(band)= -0.058553 trlgG= -0.073703 logG= -0.014561 TDE= -0.085655 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.023201 logG= -0.027944 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106722 ETOT(band)= -0.116640 trlgG= -0.145622 logG= -0.027944 TDE= -0.170489 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002393 tlogG= -0.011445 logG= -0.013838 Density= 0.053731 ETOT(band)= -0.058078 trlgG= -0.072576 logG= -0.013838 TDE= -0.085326 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004445 tlogG= -0.024047 logG= -0.028492 Density= 0.106101 ETOT(band)= -0.117186 trlgG= -0.146946 logG= -0.028492 TDE= -0.170958 logGD-logG0= -0.005133 tlogG= -0.022402 logG= -0.027536 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107624 ETOT(band)= -0.115979 trlgG= -0.144591 logG= -0.027536 TDE= -0.170313 logGD-logG0= -0.004830 tlogG= -0.022985 logG= -0.027815 Density= 0.106858 ETOT(band)= -0.116509 trlgG= -0.145358 logG= -0.027815 TDE= -0.170422 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004857 tlogG= -0.023495 logG= -0.028352 Density= 0.106760 ETOT(band)= -0.116830 trlgG= -0.146106 logG= -0.028352 TDE= -0.170584 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002619 tlogG= -0.011981 logG= -0.014600 Density= 0.054135 ETOT(band)= -0.058302 trlgG= -0.073620 logG= -0.014600 TDE= -0.085809 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023758 logG= -0.029029 logGD-logG0= -0.005268 tlogG= -0.023424 logG= -0.028691 Density= 0.108125 ETOT(band)= -0.116392 trlgG= -0.146432 logG= -0.028691 TDE= -0.171246 Density= 0.108173 ETOT(band)= -0.116554 trlgG= -0.146967 logG= -0.029029 TDE= -0.171467 logGD-logG0= -0.005158 tlogG= -0.022450 logG= -0.027608 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002462 tlogG= -0.010422 logG= -0.012884 logGD-logG0= -0.005403 tlogG= -0.024065 logG= -0.029468 Density= 0.108196 ETOT(band)= -0.115750 trlgG= -0.144710 logG= -0.027608 TDE= -0.170642 Density= 0.107637 ETOT(band)= -0.117082 trlgG= -0.147664 logG= -0.029468 TDE= -0.171460 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.022976 logG= -0.028202 Density= 0.108128 ETOT(band)= -0.116122 trlgG= -0.145657 logG= -0.028202 TDE= -0.170963 logGD-logG0= -0.002689 tlogG= -0.011985 logG= -0.014674 Density= 0.054374 ETOT(band)= -0.057079 trlgG= -0.070767 logG= -0.012884 TDE= -0.084789 Density= 0.053980 ETOT(band)= -0.058423 trlgG= -0.073742 logG= -0.014674 TDE= -0.085781 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.023944 logG= -0.029203 Density= 0.108224 ETOT(band)= -0.116628 trlgG= -0.147245 logG= -0.029203 TDE= -0.171597 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005075 tlogG= -0.022163 logG= -0.027238 Density= 0.108351 ETOT(band)= -0.115443 trlgG= -0.144101 logG= -0.027238 TDE= -0.170481 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005411 tlogG= -0.024081 logG= -0.029493 Density= 0.107883 ETOT(band)= -0.116989 trlgG= -0.147726 logG= -0.029493 TDE= -0.171620 logGD-logG0= -0.005246 tlogG= -0.023865 logG= -0.029111 logGD-logG0= -0.005117 tlogG= -0.024087 logG= -0.029204 Density= 0.108244 ETOT(band)= -0.116564 trlgG= -0.147096 logG= -0.029111 TDE= -0.171550 Density= 0.107372 ETOT(band)= -0.117048 trlgG= -0.147287 logG= -0.029204 TDE= -0.171216 logGD-logG0= -0.005435 tlogG= -0.023896 logG= -0.029331 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107746 ETOT(band)= -0.116948 trlgG= -0.147448 logG= -0.029331 TDE= -0.171435 logGD-logG0= -0.001664 tlogG= -0.006989 logG= -0.008653 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036193 ETOT(band)= -0.038131 trlgG= -0.047297 logG= -0.008653 TDE= -0.056554 logGD-logG0= -0.004953 tlogG= -0.023683 logG= -0.028636 Density= 0.107369 ETOT(band)= -0.116738 trlgG= -0.146546 logG= -0.028636 TDE= -0.171042 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.022727 logG= -0.027880 logGD-logG0= -0.005249 tlogG= -0.023599 logG= -0.028848 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108198 ETOT(band)= -0.116438 trlgG= -0.146676 logG= -0.028848 TDE= -0.171370 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108242 ETOT(band)= -0.115886 trlgG= -0.145146 logG= -0.027880 TDE= -0.170829 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023664 logG= -0.028467 Density= 0.106584 ETOT(band)= -0.116978 trlgG= -0.146536 logG= -0.028467 TDE= -0.170812 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001730 tlogG= -0.007303 logG= -0.009033 Density= 0.035840 ETOT(band)= -0.038581 trlgG= -0.047959 logG= -0.009033 TDE= -0.056662 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005445 tlogG= -0.024128 logG= -0.029572 Density= 0.107806 ETOT(band)= -0.117077 trlgG= -0.147852 logG= -0.029572 TDE= -0.171628 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004985 tlogG= -0.022844 logG= -0.027829 logGD-logG0= -0.005233 tlogG= -0.022869 logG= -0.028102 Density= 0.107738 ETOT(band)= -0.116107 trlgG= -0.145076 logG= -0.027829 TDE= -0.170561 Density= 0.107607 ETOT(band)= -0.116312 trlgG= -0.145488 logG= -0.028102 TDE= -0.170635 logGD-logG0= -0.005425 tlogG= -0.023190 logG= -0.028615 Density= 0.107675 ETOT(band)= -0.116559 trlgG= -0.146297 logG= -0.028615 TDE= -0.170966 logGD-logG0= -0.004862 tlogG= -0.022847 logG= -0.027709 Density= 0.107285 ETOT(band)= -0.116254 trlgG= -0.145204 logG= -0.027709 TDE= -0.170586 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.023962 logG= -0.029314 logGD-logG0= -0.005397 tlogG= -0.023864 logG= -0.029261 Density= 0.107437 ETOT(band)= -0.117069 trlgG= -0.147391 logG= -0.029314 TDE= -0.171242 Density= 0.107910 ETOT(band)= -0.116815 trlgG= -0.147340 logG= -0.029261 TDE= -0.171479 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.048234 logG= -0.058265 logGD-logG0= -0.009897 tlogG= -0.047149 logG= -0.057046 Density= 0.213743 ETOT(band)= -0.233777 trlgG= -0.293131 logG= -0.057046 TDE= -0.341856 Density= 0.214385 ETOT(band)= -0.234179 trlgG= -0.294703 logG= -0.058265 TDE= -0.342527 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.023574 logG= -0.029008 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107794 ETOT(band)= -0.116720 trlgG= -0.146926 logG= -0.029008 TDE= -0.171260 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010177 tlogG= -0.047890 logG= -0.058068 logGD-logG0= -0.009714 tlogG= -0.045750 logG= -0.055464 Density= 0.214997 ETOT(band)= -0.232339 trlgG= -0.290309 logG= -0.055464 TDE= -0.341236 Density= 0.213950 ETOT(band)= -0.234220 trlgG= -0.294394 logG= -0.058068 TDE= -0.342199 logGD-logG0= -0.010707 tlogG= -0.048071 logG= -0.058778 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.021557 logG= -0.026580 Density= 0.108506 ETOT(band)= -0.114893 trlgG= -0.142971 logG= -0.026580 TDE= -0.170085 logGD-logG0= -0.009994 tlogG= -0.045580 logG= -0.055574 Density= 0.215059 ETOT(band)= -0.234154 trlgG= -0.295045 logG= -0.058778 TDE= -0.342689 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214339 ETOT(band)= -0.232692 trlgG= -0.290489 logG= -0.055574 TDE= -0.340981 logGD-logG0= -0.010753 tlogG= -0.047737 logG= -0.058489 Density= 0.214743 ETOT(band)= -0.234101 trlgG= -0.294536 logG= -0.058489 TDE= -0.342312 logGD-logG0= -0.010617 tlogG= -0.047776 logG= -0.058394 logGD-logG0= -0.009354 tlogG= -0.047623 logG= -0.056977 Density= 0.212897 ETOT(band)= -0.234080 trlgG= -0.293207 logG= -0.056977 TDE= -0.341582 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214642 ETOT(band)= -0.234096 trlgG= -0.294367 logG= -0.058394 TDE= -0.342189 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047146 logG= -0.057202 Density= 0.213755 ETOT(band)= -0.233820 trlgG= -0.292922 logG= -0.057202 TDE= -0.341497 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005386 tlogG= -0.024053 logG= -0.029438 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107942 ETOT(band)= -0.116921 trlgG= -0.147637 logG= -0.029438 TDE= -0.171614 logGD-logG0= -0.009785 tlogG= -0.047922 logG= -0.057707 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213249 ETOT(band)= -0.234287 trlgG= -0.293849 logG= -0.057707 TDE= -0.341669 logGD-logG0= -0.010789 tlogG= -0.048005 logG= -0.058794 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215096 ETOT(band)= -0.234145 trlgG= -0.295072 logG= -0.058794 TDE= -0.342719 logGD-logG0= -0.010556 tlogG= -0.047969 logG= -0.058525 Density= 0.215061 ETOT(band)= -0.234009 trlgG= -0.294629 logG= -0.058525 TDE= -0.342527 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.048019 logG= -0.058320 logGD-logG0= -0.009669 tlogG= -0.047437 logG= -0.057106 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214516 ETOT(band)= -0.234125 trlgG= -0.294451 logG= -0.058320 TDE= -0.342285 Density= 0.214291 ETOT(band)= -0.233606 trlgG= -0.293259 logG= -0.057106 TDE= -0.342194 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010853 tlogG= -0.046868 logG= -0.057720 Density= 0.215417 ETOT(band)= -0.233363 trlgG= -0.293373 logG= -0.057720 TDE= -0.342252 logGD-logG0= -0.010099 tlogG= -0.045639 logG= -0.055737 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215130 ETOT(band)= -0.232414 trlgG= -0.290299 logG= -0.055737 TDE= -0.341019 logGD-logG0= -0.010844 tlogG= -0.047517 logG= -0.058361 Density= 0.215690 ETOT(band)= -0.233598 trlgG= -0.294413 logG= -0.058361 TDE= -0.342786 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010903 tlogG= -0.048135 logG= -0.059037 logGD-logG0= -0.010418 tlogG= -0.047650 logG= -0.058068 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213931 ETOT(band)= -0.234206 trlgG= -0.294146 logG= -0.058068 TDE= -0.341941 Density= 0.215414 ETOT(band)= -0.234169 trlgG= -0.295509 logG= -0.059037 TDE= -0.343069 logGD-logG0= -0.010644 tlogG= -0.047299 logG= -0.057943 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214245 ETOT(band)= -0.233998 trlgG= -0.293620 logG= -0.057943 TDE= -0.341696 logGD-logG0= -0.010413 tlogG= -0.046401 logG= -0.056814 logGD-logG0= -0.005189 tlogG= -0.021812 logG= -0.027001 Density= 0.107778 ETOT(band)= -0.115551 trlgG= -0.143716 logG= -0.027001 TDE= -0.170048 Density= 0.215200 ETOT(band)= -0.232974 trlgG= -0.291931 logG= -0.056814 TDE= -0.341609 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010824 tlogG= -0.047879 logG= -0.058703 logGD-logG0= -0.002522 tlogG= -0.010838 logG= -0.013360 Density= 0.215759 ETOT(band)= -0.233787 trlgG= -0.294977 logG= -0.058703 TDE= -0.343043 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054058 ETOT(band)= -0.057598 trlgG= -0.071615 logG= -0.013360 TDE= -0.085005 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010811 tlogG= -0.047410 logG= -0.058221 Density= 0.215457 ETOT(band)= -0.233640 trlgG= -0.294174 logG= -0.058221 TDE= -0.342572 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010769 tlogG= -0.047930 logG= -0.058699 Density= 0.215887 ETOT(band)= -0.233714 trlgG= -0.294974 logG= -0.058699 TDE= -0.343107 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010325 tlogG= -0.047141 logG= -0.057467 logGD-logG0= -0.010024 tlogG= -0.047214 logG= -0.057238 Density= 0.214459 ETOT(band)= -0.233565 trlgG= -0.293030 logG= -0.057238 TDE= -0.341917 Density= 0.215137 ETOT(band)= -0.233376 trlgG= -0.292949 logG= -0.057467 TDE= -0.341943 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.021689 logG= -0.026818 Density= 0.107921 ETOT(band)= -0.115358 trlgG= -0.143405 logG= -0.026818 TDE= -0.169992 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005109 tlogG= -0.021868 logG= -0.026977 Density= 0.108315 ETOT(band)= -0.115260 trlgG= -0.143652 logG= -0.026977 TDE= -0.170274 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004942 tlogG= -0.020982 logG= -0.025923 Density= 0.108702 ETOT(band)= -0.114305 trlgG= -0.141813 logG= -0.025923 TDE= -0.169681 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010252 tlogG= -0.043378 logG= -0.053630 Density= 0.216258 ETOT(band)= -0.230503 trlgG= -0.286785 logG= -0.053630 TDE= -0.340170 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001288 tlogG= -0.005746 logG= -0.007034 Density= 0.080629 ETOT(band)= -0.087410 trlgG= -0.109728 logG= -0.007034 TDE= -0.042751 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023952 logG= -0.029148 Density= 0.214324 ETOT(band)= -0.234131 trlgG= -0.294227 logG= -0.029148 TDE= -0.171081 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023968 logG= -0.028664 Density= 0.212781 ETOT(band)= -0.234316 trlgG= -0.293811 logG= -0.028664 TDE= -0.170850 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.023409 logG= -0.028734 Density= 0.216187 ETOT(band)= -0.232687 trlgG= -0.292509 logG= -0.028734 TDE= -0.171206 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023877 logG= -0.028913 logGD-logG0= -0.004953 tlogG= -0.023831 logG= -0.028784 Density= 0.213551 ETOT(band)= -0.234188 trlgG= -0.294061 logG= -0.028784 TDE= -0.171067 logGD-logG0= -0.004858 tlogG= -0.024002 logG= -0.028859 Density= 0.214102 ETOT(band)= -0.234124 trlgG= -0.294447 logG= -0.028859 TDE= -0.171248 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213767 ETOT(band)= -0.234048 trlgG= -0.293322 logG= -0.028913 TDE= -0.170811 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023365 logG= -0.028134 Density= 0.214161 ETOT(band)= -0.233412 trlgG= -0.292653 logG= -0.028134 TDE= -0.170926 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001472 tlogG= -0.007964 logG= -0.009436 Density= 0.070856 ETOT(band)= -0.077965 trlgG= -0.097562 logG= -0.009436 TDE= -0.056968 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004551 tlogG= -0.023736 logG= -0.028286 Density= 0.213057 ETOT(band)= -0.233631 trlgG= -0.292087 logG= -0.028286 TDE= -0.170798 logGD-logG0= -0.004606 tlogG= -0.023582 logG= -0.028188 Density= 0.212587 ETOT(band)= -0.234040 trlgG= -0.293064 logG= -0.028188 TDE= -0.170714 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006871 logG= -0.008492 Density= 0.040845 ETOT(band)= -0.042679 trlgG= -0.052853 logG= -0.008492 TDE= -0.056468 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005169 logG= -0.006385 Density= 0.062533 ETOT(band)= -0.067557 trlgG= -0.084300 logG= -0.006385 TDE= -0.042363 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004721 tlogG= -0.023886 logG= -0.028607 Density= 0.213256 ETOT(band)= -0.233904 trlgG= -0.292815 logG= -0.028607 TDE= -0.170801 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.022900 logG= -0.027984 Density= 0.214775 ETOT(band)= -0.232438 trlgG= -0.290001 logG= -0.027984 TDE= -0.170449 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001307 tlogG= -0.005937 logG= -0.007244 Density= 0.080828 ETOT(band)= -0.087659 trlgG= -0.110479 logG= -0.007244 TDE= -0.042870 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001611 tlogG= -0.007587 logG= -0.009198 Density= 0.071488 ETOT(band)= -0.077361 trlgG= -0.096260 logG= -0.009198 TDE= -0.056744 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004419 tlogG= -0.024127 logG= -0.028546 Density= 0.212139 ETOT(band)= -0.234423 trlgG= -0.294016 logG= -0.028546 TDE= -0.170997 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001302 tlogG= -0.005854 logG= -0.007156 Density= 0.080643 ETOT(band)= -0.087625 trlgG= -0.110283 logG= -0.007156 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005618 logG= -0.006884 Density= 0.080830 ETOT(band)= -0.086981 trlgG= -0.108724 logG= -0.006884 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005305 logG= -0.006539 Density= 0.081552 ETOT(band)= -0.085699 trlgG= -0.106322 logG= -0.006539 TDE= -0.042465 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001305 tlogG= -0.005982 logG= -0.007287 Density= 0.081057 ETOT(band)= -0.087561 trlgG= -0.110530 logG= -0.007287 TDE= -0.042900 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023995 logG= -0.029337 Density= 0.215677 ETOT(band)= -0.233888 trlgG= -0.295132 logG= -0.029337 TDE= -0.171595 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023793 logG= -0.029169 Density= 0.215323 ETOT(band)= -0.233795 trlgG= -0.294479 logG= -0.029169 TDE= -0.171443 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023476 logG= -0.028846 Density= 0.215201 ETOT(band)= -0.233361 trlgG= -0.293217 logG= -0.028846 TDE= -0.171186 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001732 tlogG= -0.007114 logG= -0.008847 Density= 0.072224 ETOT(band)= -0.076491 trlgG= -0.094942 logG= -0.008847 TDE= -0.056629 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005064 tlogG= -0.022287 logG= -0.027351 Density= 0.214235 ETOT(band)= -0.232482 trlgG= -0.289759 logG= -0.027351 TDE= -0.170185 logGD-logG0= -0.005032 tlogG= -0.022469 logG= -0.027501 Density= 0.215000 ETOT(band)= -0.231702 trlgG= -0.288356 logG= -0.027501 TDE= -0.170198 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005305 tlogG= -0.023994 logG= -0.029298 Density= 0.216347 ETOT(band)= -0.233368 trlgG= -0.294651 logG= -0.029298 TDE= -0.171613 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.024116 logG= -0.029552 Density= 0.215710 ETOT(band)= -0.234043 trlgG= -0.295548 logG= -0.029552 TDE= -0.171628 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.024157 logG= -0.029319 Density= 0.322422 ETOT(band)= -0.351271 trlgG= -0.442484 logG= -0.029319 TDE= -0.171249 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.023950 logG= -0.029248 Density= 0.216381 ETOT(band)= -0.233264 trlgG= -0.294419 logG= -0.029248 TDE= -0.171586 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.022433 logG= -0.027668 logGD-logG0= -0.004890 tlogG= -0.024001 logG= -0.028891 Density= 0.216355 ETOT(band)= -0.231317 trlgG= -0.288907 logG= -0.027668 TDE= -0.170583 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321541 ETOT(band)= -0.351163 trlgG= -0.441812 logG= -0.028891 TDE= -0.171243 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.047774 logG= -0.058413 Density= 0.324338 ETOT(band)= -0.349957 trlgG= -0.441476 logG= -0.058413 TDE= -0.343065 logGD-logG0= -0.004801 tlogG= -0.023362 logG= -0.028163 Density= 0.321605 ETOT(band)= -0.350117 trlgG= -0.439235 logG= -0.028163 TDE= -0.170918 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005297 tlogG= -0.022961 logG= -0.028259 Density= 0.216212 ETOT(band)= -0.232114 trlgG= -0.290893 logG= -0.028259 TDE= -0.170918 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.024078 logG= -0.029445 Density= 0.323047 ETOT(band)= -0.351241 trlgG= -0.443134 logG= -0.029445 TDE= -0.171442 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010927 tlogG= -0.048029 logG= -0.058956 Density= 0.323233 ETOT(band)= -0.351032 trlgG= -0.442829 logG= -0.058956 TDE= -0.343059 logGD-logG0= -0.005193 tlogG= -0.023839 logG= -0.029032 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215485 ETOT(band)= -0.233790 trlgG= -0.294583 logG= -0.029032 TDE= -0.171131 logGD-logG0= -0.005318 tlogG= -0.023756 logG= -0.029074 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216269 ETOT(band)= -0.233066 trlgG= -0.293715 logG= -0.029074 TDE= -0.171445 logGD-logG0= -0.010686 tlogG= -0.047223 logG= -0.057909 logGD-logG0= -0.010410 tlogG= -0.045618 logG= -0.056028 Density= 0.324023 ETOT(band)= -0.347994 trlgG= -0.435426 logG= -0.056028 TDE= -0.341491 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.023239 logG= -0.028139 Density= 0.324118 ETOT(band)= -0.349591 trlgG= -0.440130 logG= -0.057909 TDE= -0.342673 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213473 ETOT(band)= -0.233657 trlgG= -0.292544 logG= -0.028139 TDE= -0.170763 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010684 tlogG= -0.046402 logG= -0.057086 Density= 0.323979 ETOT(band)= -0.348936 trlgG= -0.438045 logG= -0.057086 TDE= -0.342115 logGD-logG0= -0.005483 tlogG= -0.023892 logG= -0.029376 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215636 ETOT(band)= -0.233790 trlgG= -0.294859 logG= -0.029376 TDE= -0.171451 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023239 logG= -0.028385 Density= 0.321677 ETOT(band)= -0.350621 trlgG= -0.440085 logG= -0.028385 TDE= -0.170872 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009917 tlogG= -0.046594 logG= -0.056511 Density= 0.322679 ETOT(band)= -0.349067 trlgG= -0.436869 logG= -0.056511 TDE= -0.341645 logGD-logG0= -0.005197 tlogG= -0.021873 logG= -0.027069 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216610 ETOT(band)= -0.230320 trlgG= -0.286788 logG= -0.027069 TDE= -0.170243 logGD-logG0= -0.005554 tlogG= -0.023349 logG= -0.028902 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215093 ETOT(band)= -0.233387 trlgG= -0.293024 logG= -0.028902 TDE= -0.170980 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010549 tlogG= -0.047946 logG= -0.058495 Density= 0.429175 ETOT(band)= -0.468299 trlgG= -0.588889 logG= -0.058495 TDE= -0.342188 logGD-logG0= -0.005532 tlogG= -0.023678 logG= -0.029210 Density= 0.215396 ETOT(band)= -0.233643 trlgG= -0.294163 logG= -0.029210 TDE= -0.171274 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.046597 logG= -0.056334 logGD-logG0= -0.005287 tlogG= -0.023189 logG= -0.028476 logGD-logG0= -0.010380 tlogG= -0.048138 logG= -0.058518 Density= 0.429272 ETOT(band)= -0.468337 trlgG= -0.589242 logG= -0.058518 TDE= -0.342348 logGD-logG0= -0.009877 tlogG= -0.047829 logG= -0.057706 Density= 0.427999 ETOT(band)= -0.468232 trlgG= -0.588480 logG= -0.057706 TDE= -0.342302 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428051 ETOT(band)= -0.466931 trlgG= -0.585086 logG= -0.056334 TDE= -0.341671 Density= 0.214850 ETOT(band)= -0.232990 trlgG= -0.291531 logG= -0.028476 TDE= -0.170636 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009682 tlogG= -0.046704 logG= -0.056386 logGD-logG0= -0.005468 tlogG= -0.023952 logG= -0.029420 Density= 0.427842 ETOT(band)= -0.466212 trlgG= -0.582479 logG= -0.056386 TDE= -0.341256 Density= 0.323647 ETOT(band)= -0.350704 trlgG= -0.442569 logG= -0.029420 TDE= -0.171500 logGD-logG0= -0.009195 tlogG= -0.048087 logG= -0.057282 logGD-logG0= -0.005024 tlogG= -0.021294 logG= -0.026318 Density= 0.162638 ETOT(band)= -0.173010 trlgG= -0.216143 logG= -0.026318 TDE= -0.169897 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425477 ETOT(band)= -0.468431 trlgG= -0.587110 logG= -0.057282 TDE= -0.341816 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010513 tlogG= -0.048211 logG= -0.058724 Density= 0.430013 ETOT(band)= -0.468338 trlgG= -0.590008 logG= -0.058724 TDE= -0.342563 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010052 tlogG= -0.047843 logG= -0.057895 Density= 0.429104 ETOT(band)= -0.468003 trlgG= -0.588446 logG= -0.057895 TDE= -0.342288 logGD-logG0= -0.010491 tlogG= -0.047658 logG= -0.058149 logGD-logG0= -0.010993 tlogG= -0.047682 logG= -0.058675 Density= 0.431071 ETOT(band)= -0.467531 trlgG= -0.589318 logG= -0.058675 TDE= -0.342812 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428255 ETOT(band)= -0.468213 trlgG= -0.587808 logG= -0.058149 TDE= -0.341943 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009840 tlogG= -0.047760 logG= -0.057600 Density= 0.427130 ETOT(band)= -0.467999 trlgG= -0.586469 logG= -0.057600 TDE= -0.341536 logGD-logG0= -0.010724 tlogG= -0.048060 logG= -0.058784 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430120 ETOT(band)= -0.468168 trlgG= -0.589679 logG= -0.058784 TDE= -0.342689 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010891 tlogG= -0.047718 logG= -0.058609 Density= 0.430729 ETOT(band)= -0.467589 trlgG= -0.588961 logG= -0.058609 TDE= -0.342705 logGD-logG0= -0.009886 tlogG= -0.047641 logG= -0.057527 Density= 0.426625 ETOT(band)= -0.468451 trlgG= -0.587621 logG= -0.057527 TDE= -0.341834 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010918 tlogG= -0.048007 logG= -0.058925 Density= 0.431314 ETOT(band)= -0.467812 trlgG= -0.590311 logG= -0.058925 TDE= -0.343076 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.024152 logG= -0.029288 logGD-logG0= -0.010950 tlogG= -0.047257 logG= -0.058207 Density= 0.214727 ETOT(band)= -0.234201 trlgG= -0.294840 logG= -0.029288 TDE= -0.171254 Density= 0.430455 ETOT(band)= -0.467166 trlgG= -0.587490 logG= -0.058207 TDE= -0.342321 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010167 tlogG= -0.046390 logG= -0.056556 Density= 0.429491 ETOT(band)= -0.465633 trlgG= -0.582145 logG= -0.056556 TDE= -0.341366 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010551 tlogG= -0.046919 logG= -0.057471 Density= 0.429847 ETOT(band)= -0.466544 trlgG= -0.584840 logG= -0.057471 TDE= -0.341656 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.021199 logG= -0.026264 Density= 0.216327 ETOT(band)= -0.230074 trlgG= -0.285842 logG= -0.026264 TDE= -0.169817 logGD-logG0= -0.010233 tlogG= -0.047549 logG= -0.057782 Density= 0.428570 ETOT(band)= -0.467558 trlgG= -0.586847 logG= -0.057782 TDE= -0.341987 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010476 tlogG= -0.047559 logG= -0.058035 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429980 ETOT(band)= -0.467190 trlgG= -0.586770 logG= -0.058035 TDE= -0.342101 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022322 logG= -0.027272 Density= 0.322842 ETOT(band)= -0.348037 trlgG= -0.434479 logG= -0.027272 TDE= -0.170266 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005466 logG= -0.006720 Density= 0.081193 ETOT(band)= -0.086367 trlgG= -0.107483 logG= -0.006720 TDE= -0.042577 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010200 tlogG= -0.044610 logG= -0.054811 Density= 0.324261 ETOT(band)= -0.346726 trlgG= -0.432414 logG= -0.054811 TDE= -0.340812 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.022321 logG= -0.027232 Density= 0.215006 ETOT(band)= -0.231991 trlgG= -0.289402 logG= -0.027232 TDE= -0.170272 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.021344 logG= -0.026450 Density= 0.217003 ETOT(band)= -0.229211 trlgG= -0.284581 logG= -0.026450 TDE= -0.169911 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010048 tlogG= -0.044614 logG= -0.054662 Density= 0.431567 ETOT(band)= -0.462155 trlgG= -0.575352 logG= -0.054662 TDE= -0.340451 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.869735699313 eV TrLogG= -407.692790965842 eV Ratio to renormalize= 1.000108020527 rho-rho_expected=-0.002376194919 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964668975912975 0.940455330444726 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002393 tlogG= -0.011444 logG= -0.013838 Density= 0.053730 ETOT(band)= -0.058077 trlgG= -0.072573 logG= -0.013838 TDE= -0.085324 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023208 logG= -0.028427 logGD-logG0= -0.005411 tlogG= -0.023677 logG= -0.029088 Density= 0.107222 ETOT(band)= -0.117014 trlgG= -0.146992 logG= -0.029088 TDE= -0.170963 Density= 0.108187 ETOT(band)= -0.116212 trlgG= -0.146008 logG= -0.028427 TDE= -0.171117 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023663 logG= -0.028466 Density= 0.106583 ETOT(band)= -0.116974 trlgG= -0.146531 logG= -0.028466 TDE= -0.170808 logGD-logG0= -0.005234 tlogG= -0.022868 logG= -0.028102 Density= 0.107606 ETOT(band)= -0.116308 trlgG= -0.145483 logG= -0.028102 TDE= -0.170630 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004832 tlogG= -0.023680 logG= -0.028512 Density= 0.106963 ETOT(band)= -0.116856 trlgG= -0.146634 logG= -0.028512 TDE= -0.171053 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004863 tlogG= -0.022845 logG= -0.027708 Density= 0.107284 ETOT(band)= -0.116250 trlgG= -0.145200 logG= -0.027708 TDE= -0.170581 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002523 tlogG= -0.010837 logG= -0.013360 Density= 0.054058 ETOT(band)= -0.057596 trlgG= -0.071613 logG= -0.013360 TDE= -0.085003 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002664 tlogG= -0.012029 logG= -0.014693 Density= 0.053759 ETOT(band)= -0.058539 trlgG= -0.073757 logG= -0.014693 TDE= -0.085666 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002620 tlogG= -0.011980 logG= -0.014600 Density= 0.054135 ETOT(band)= -0.058300 trlgG= -0.073618 logG= -0.014600 TDE= -0.085807 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.023863 logG= -0.029260 Density= 0.107909 ETOT(band)= -0.116812 trlgG= -0.147336 logG= -0.029260 TDE= -0.171474 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009995 tlogG= -0.045577 logG= -0.055572 logGD-logG0= -0.009786 tlogG= -0.047919 logG= -0.057705 Density= 0.213247 ETOT(band)= -0.234279 trlgG= -0.293839 logG= -0.057705 TDE= -0.341659 Density= 0.214337 ETOT(band)= -0.232685 trlgG= -0.290479 logG= -0.055572 TDE= -0.340972 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010100 tlogG= -0.045636 logG= -0.055736 Density= 0.215128 ETOT(band)= -0.232407 trlgG= -0.290290 logG= -0.055736 TDE= -0.341010 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005858 logG= -0.001053 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.021866 logG= -0.026977 Density= 0.108314 ETOT(band)= -0.115257 trlgG= -0.143647 logG= -0.026977 TDE= -0.170270 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001526 tlogG= -0.007809 logG= -0.009336 Density= 0.035487 ETOT(band)= -0.038930 trlgG= -0.048657 logG= -0.009336 TDE= -0.056882 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002482 tlogG= -0.012079 logG= -0.014561 Density= 0.053579 ETOT(band)= -0.058551 trlgG= -0.073700 logG= -0.014561 TDE= -0.085653 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023422 logG= -0.028691 Density= 0.108124 ETOT(band)= -0.116389 trlgG= -0.146427 logG= -0.028691 TDE= -0.171241 logGD-logG0= -0.002387 tlogG= -0.011880 logG= -0.014267 Density= 0.053556 ETOT(band)= -0.058408 trlgG= -0.073339 logG= -0.014267 TDE= -0.085573 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023756 logG= -0.029029 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108171 ETOT(band)= -0.116550 trlgG= -0.146963 logG= -0.029029 TDE= -0.171462 logGD-logG0= -0.004445 tlogG= -0.024046 logG= -0.028491 Density= 0.106100 ETOT(band)= -0.117182 trlgG= -0.146941 logG= -0.028491 TDE= -0.170953 logGD-logG0= -0.004472 tlogG= -0.023969 logG= -0.028440 Density= 0.106152 ETOT(band)= -0.117138 trlgG= -0.146827 logG= -0.028440 TDE= -0.170916 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.022974 logG= -0.028201 Density= 0.108127 ETOT(band)= -0.116119 trlgG= -0.145653 logG= -0.028201 TDE= -0.170958 logGD-logG0= -0.005403 tlogG= -0.024064 logG= -0.029467 Density= 0.107635 ETOT(band)= -0.117079 trlgG= -0.147659 logG= -0.029467 TDE= -0.171455 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005159 tlogG= -0.022449 logG= -0.027608 logGD-logG0= -0.004669 tlogG= -0.024040 logG= -0.028709 Density= 0.108194 ETOT(band)= -0.115746 trlgG= -0.144705 logG= -0.027608 TDE= -0.170638 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106373 ETOT(band)= -0.117169 trlgG= -0.146948 logG= -0.028709 TDE= -0.170878 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023681 logG= -0.028635 logGD-logG0= -0.005076 tlogG= -0.022161 logG= -0.027237 Density= 0.107368 ETOT(band)= -0.116735 trlgG= -0.146541 logG= -0.028635 TDE= -0.171037 Density= 0.108350 ETOT(band)= -0.115440 trlgG= -0.144097 logG= -0.027237 TDE= -0.170477 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.023864 logG= -0.029110 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108243 ETOT(band)= -0.116561 trlgG= -0.147092 logG= -0.029110 TDE= -0.171545 logGD-logG0= -0.004744 tlogG= -0.023200 logG= -0.027944 logGD-logG0= -0.005260 tlogG= -0.023942 logG= -0.029202 Density= 0.106721 ETOT(band)= -0.116637 trlgG= -0.145617 logG= -0.027944 TDE= -0.170484 logGD-logG0= -0.005118 tlogG= -0.024086 logG= -0.029204 Density= 0.107371 ETOT(band)= -0.117045 trlgG= -0.147282 logG= -0.029204 TDE= -0.171211 logGD-logG0= -0.001446 tlogG= -0.008043 logG= -0.009489 logGD-logG0= -0.004986 tlogG= -0.022843 logG= -0.027828 Density= 0.107737 ETOT(band)= -0.116104 trlgG= -0.145071 logG= -0.027828 TDE= -0.170557 Density= 0.035307 ETOT(band)= -0.039082 trlgG= -0.049023 logG= -0.009489 TDE= -0.057006 Density= 0.108222 ETOT(band)= -0.116625 trlgG= -0.147241 logG= -0.029202 TDE= -0.171592 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002689 tlogG= -0.011984 logG= -0.014673 Density= 0.053980 ETOT(band)= -0.058422 trlgG= -0.073740 logG= -0.014673 TDE= -0.085778 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.023960 logG= -0.029313 Density= 0.107436 ETOT(band)= -0.117065 trlgG= -0.147386 logG= -0.029313 TDE= -0.171237 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023895 logG= -0.029330 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107745 ETOT(band)= -0.116945 trlgG= -0.147443 logG= -0.029330 TDE= -0.171430 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.023637 logG= -0.028758 logGD-logG0= -0.005154 tlogG= -0.022726 logG= -0.027880 Density= 0.108240 ETOT(band)= -0.115883 trlgG= -0.145141 logG= -0.027880 TDE= -0.170824 logGD-logG0= -0.005134 tlogG= -0.022401 logG= -0.027535 Density= 0.107623 ETOT(band)= -0.115975 trlgG= -0.144587 logG= -0.027535 TDE= -0.170309 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023597 logG= -0.028847 Density= 0.108197 ETOT(band)= -0.116435 trlgG= -0.146671 logG= -0.028847 TDE= -0.171365 Density= 0.106967 ETOT(band)= -0.116944 trlgG= -0.146443 logG= -0.028758 TDE= -0.170617 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022984 logG= -0.027814 Density= 0.106857 ETOT(band)= -0.116505 trlgG= -0.145353 logG= -0.027814 TDE= -0.170417 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005445 tlogG= -0.024126 logG= -0.029571 logGD-logG0= -0.004857 tlogG= -0.023494 logG= -0.028351 Density= 0.106759 ETOT(band)= -0.116827 trlgG= -0.146101 logG= -0.028351 TDE= -0.170579 logGD-logG0= -0.005412 tlogG= -0.024080 logG= -0.029492 Density= 0.107881 ETOT(band)= -0.116986 trlgG= -0.147722 logG= -0.029492 TDE= -0.171615 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107805 ETOT(band)= -0.117074 trlgG= -0.147848 logG= -0.029571 TDE= -0.171623 logGD-logG0= -0.005005 tlogG= -0.024062 logG= -0.029068 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023887 logG= -0.028914 Density= 0.106744 ETOT(band)= -0.117128 trlgG= -0.147057 logG= -0.028914 TDE= -0.170965 Density= 0.107046 ETOT(band)= -0.117108 trlgG= -0.147310 logG= -0.029068 TDE= -0.171214 logGD-logG0= -0.010253 tlogG= -0.043376 logG= -0.053629 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216256 ETOT(band)= -0.230497 trlgG= -0.286776 logG= -0.053629 TDE= -0.340162 logGD-logG0= -0.001267 tlogG= -0.005617 logG= -0.006884 Density= 0.080830 ETOT(band)= -0.086979 trlgG= -0.108721 logG= -0.006884 TDE= -0.042673 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005426 tlogG= -0.023188 logG= -0.028614 Density= 0.107674 ETOT(band)= -0.116556 trlgG= -0.146292 logG= -0.028614 TDE= -0.170961 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.024051 logG= -0.029438 Density= 0.107941 ETOT(band)= -0.116918 trlgG= -0.147633 logG= -0.029438 TDE= -0.171609 logGD-logG0= -0.009715 tlogG= -0.045747 logG= -0.055462 logGD-logG0= -0.010032 tlogG= -0.048231 logG= -0.058263 Density= 0.214383 ETOT(band)= -0.234173 trlgG= -0.294694 logG= -0.058263 TDE= -0.342517 Density= 0.214995 ETOT(band)= -0.232333 trlgG= -0.290299 logG= -0.055462 TDE= -0.341227 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005435 tlogG= -0.023572 logG= -0.029007 logGD-logG0= -0.009355 tlogG= -0.047620 logG= -0.056975 Density= 0.212895 ETOT(band)= -0.234073 trlgG= -0.293197 logG= -0.056975 TDE= -0.341573 Density= 0.107792 ETOT(band)= -0.116716 trlgG= -0.146921 logG= -0.029007 TDE= -0.171255 logGD-logG0= -0.009898 tlogG= -0.047147 logG= -0.057045 logGD-logG0= -0.010708 tlogG= -0.048068 logG= -0.058777 Density= 0.215057 ETOT(band)= -0.234147 trlgG= -0.295035 logG= -0.058777 TDE= -0.342679 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213741 ETOT(band)= -0.233770 trlgG= -0.293121 logG= -0.057045 TDE= -0.341846 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047143 logG= -0.057201 logGD-logG0= -0.010179 tlogG= -0.047888 logG= -0.058066 Density= 0.213948 ETOT(band)= -0.234212 trlgG= -0.294384 logG= -0.058066 TDE= -0.342190 Density= 0.213753 ETOT(band)= -0.233813 trlgG= -0.292912 logG= -0.057201 TDE= -0.341487 logGD-logG0= -0.010754 tlogG= -0.047734 logG= -0.058488 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009670 tlogG= -0.047434 logG= -0.057105 Density= 0.214289 ETOT(band)= -0.233599 trlgG= -0.293249 logG= -0.057105 TDE= -0.342185 Density= 0.214741 ETOT(band)= -0.234094 trlgG= -0.294526 logG= -0.058488 TDE= -0.342303 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.047774 logG= -0.058392 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214640 ETOT(band)= -0.234089 trlgG= -0.294358 logG= -0.058392 TDE= -0.342180 logGD-logG0= -0.001664 tlogG= -0.006989 logG= -0.008653 logGD-logG0= -0.010302 tlogG= -0.048016 logG= -0.058318 Density= 0.214514 ETOT(band)= -0.234118 trlgG= -0.294442 logG= -0.058318 TDE= -0.342276 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036193 ETOT(band)= -0.038130 trlgG= -0.047295 logG= -0.008653 TDE= -0.056553 logGD-logG0= -0.010790 tlogG= -0.048002 logG= -0.058792 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215094 ETOT(band)= -0.234138 trlgG= -0.295063 logG= -0.058792 TDE= -0.342710 logGD-logG0= -0.001730 tlogG= -0.007303 logG= -0.009032 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035839 ETOT(band)= -0.038580 trlgG= -0.047958 logG= -0.009032 TDE= -0.056660 logGD-logG0= -0.010854 tlogG= -0.046865 logG= -0.057719 logGD-logG0= -0.010557 tlogG= -0.047967 logG= -0.058524 logGD-logG0= -0.005326 tlogG= -0.023407 logG= -0.028733 Density= 0.216184 ETOT(band)= -0.232681 trlgG= -0.292500 logG= -0.028733 TDE= -0.171201 Density= 0.215059 ETOT(band)= -0.234002 trlgG= -0.294619 logG= -0.058524 TDE= -0.342517 logGD-logG0= -0.010419 tlogG= -0.047648 logG= -0.058067 Density= 0.215415 ETOT(band)= -0.233357 trlgG= -0.293364 logG= -0.057719 TDE= -0.342243 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213929 ETOT(band)= -0.234199 trlgG= -0.294136 logG= -0.058067 TDE= -0.341932 logGD-logG0= -0.010645 tlogG= -0.047296 logG= -0.057941 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010771 tlogG= -0.047927 logG= -0.058698 Density= 0.215885 ETOT(band)= -0.233708 trlgG= -0.294965 logG= -0.058698 TDE= -0.343098 logGD-logG0= -0.010845 tlogG= -0.047514 logG= -0.058359 Density= 0.215688 ETOT(band)= -0.233592 trlgG= -0.294404 logG= -0.058359 TDE= -0.342777 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214242 ETOT(band)= -0.233991 trlgG= -0.293610 logG= -0.057941 TDE= -0.341686 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010811 tlogG= -0.047408 logG= -0.058219 logGD-logG0= -0.010903 tlogG= -0.048132 logG= -0.059036 Density= 0.215454 ETOT(band)= -0.233633 trlgG= -0.294165 logG= -0.058219 TDE= -0.342563 logGD-logG0= -0.002462 tlogG= -0.010422 logG= -0.012884 Density= 0.054373 ETOT(band)= -0.057078 trlgG= -0.070765 logG= -0.012884 TDE= -0.084787 Density= 0.215411 ETOT(band)= -0.234163 trlgG= -0.295499 logG= -0.059036 TDE= -0.343060 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010414 tlogG= -0.046399 logG= -0.056813 logGD-logG0= -0.010025 tlogG= -0.047211 logG= -0.057237 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.023238 logG= -0.028139 logGD-logG0= -0.010826 tlogG= -0.047876 logG= -0.058702 Density= 0.215756 ETOT(band)= -0.233780 trlgG= -0.294968 logG= -0.058702 TDE= -0.343034 Density= 0.213471 ETOT(band)= -0.233650 trlgG= -0.292534 logG= -0.028139 TDE= -0.170758 Density= 0.214456 ETOT(band)= -0.233558 trlgG= -0.293021 logG= -0.057237 TDE= -0.341908 Density= 0.215198 ETOT(band)= -0.232968 trlgG= -0.291922 logG= -0.056813 TDE= -0.341600 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023950 logG= -0.029147 Density= 0.214321 ETOT(band)= -0.234124 trlgG= -0.294217 logG= -0.029147 TDE= -0.171077 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023188 logG= -0.028476 Density= 0.214848 ETOT(band)= -0.232983 trlgG= -0.291522 logG= -0.028476 TDE= -0.170632 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004770 tlogG= -0.023364 logG= -0.028134 Density= 0.214159 ETOT(band)= -0.233405 trlgG= -0.292644 logG= -0.028134 TDE= -0.170922 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010326 tlogG= -0.047139 logG= -0.057465 Density= 0.215134 ETOT(band)= -0.233369 trlgG= -0.292940 logG= -0.057465 TDE= -0.341934 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.020980 logG= -0.025923 Density= 0.108700 ETOT(band)= -0.114302 trlgG= -0.141809 logG= -0.025923 TDE= -0.169677 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005466 logG= -0.006720 Density= 0.081193 ETOT(band)= -0.086365 trlgG= -0.107480 logG= -0.006720 TDE= -0.042575 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005189 tlogG= -0.021811 logG= -0.027000 Density= 0.107776 ETOT(band)= -0.115547 trlgG= -0.143711 logG= -0.027000 TDE= -0.170044 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004911 tlogG= -0.022320 logG= -0.027231 Density= 0.215004 ETOT(band)= -0.231984 trlgG= -0.289392 logG= -0.027231 TDE= -0.170267 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005129 tlogG= -0.021688 logG= -0.026817 Density= 0.107920 ETOT(band)= -0.115354 trlgG= -0.143401 logG= -0.026817 TDE= -0.169988 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005024 tlogG= -0.021556 logG= -0.026579 Density= 0.108504 ETOT(band)= -0.114890 trlgG= -0.142967 logG= -0.026579 TDE= -0.170081 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001307 tlogG= -0.005937 logG= -0.007244 Density= 0.080827 ETOT(band)= -0.087657 trlgG= -0.110475 logG= -0.007244 TDE= -0.042869 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005484 tlogG= -0.023891 logG= -0.029375 Density= 0.215633 ETOT(band)= -0.233783 trlgG= -0.294850 logG= -0.029375 TDE= -0.171447 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009683 tlogG= -0.046702 logG= -0.056385 Density= 0.427838 ETOT(band)= -0.466197 trlgG= -0.582459 logG= -0.056385 TDE= -0.341246 logGD-logG0= -0.005025 tlogG= -0.021293 logG= -0.026317 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162636 ETOT(band)= -0.173005 trlgG= -0.216136 logG= -0.026317 TDE= -0.169893 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009886 tlogG= -0.047639 logG= -0.057525 Density= 0.426621 ETOT(band)= -0.468437 trlgG= -0.587601 logG= -0.057525 TDE= -0.341824 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010168 tlogG= -0.046387 logG= -0.056555 Density= 0.429487 ETOT(band)= -0.465619 trlgG= -0.582126 logG= -0.056555 TDE= -0.341357 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.044608 logG= -0.054809 Density= 0.324258 ETOT(band)= -0.346716 trlgG= -0.432400 logG= -0.054809 TDE= -0.340803 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001472 tlogG= -0.007964 logG= -0.009436 Density= 0.070855 ETOT(band)= -0.077963 trlgG= -0.097558 logG= -0.009436 TDE= -0.056967 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004419 tlogG= -0.024126 logG= -0.028545 Density= 0.212137 ETOT(band)= -0.234415 trlgG= -0.294005 logG= -0.028545 TDE= -0.170992 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001302 tlogG= -0.005854 logG= -0.007156 Density= 0.080642 ETOT(band)= -0.087623 trlgG= -0.110279 logG= -0.007156 TDE= -0.042815 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004606 tlogG= -0.023581 logG= -0.028187 Density= 0.212586 ETOT(band)= -0.234032 trlgG= -0.293054 logG= -0.028187 TDE= -0.170709 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004551 tlogG= -0.023734 logG= -0.028286 Density= 0.213055 ETOT(band)= -0.233623 trlgG= -0.292077 logG= -0.028286 TDE= -0.170794 logGD-logG0= -0.004722 tlogG= -0.023884 logG= -0.028606 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213254 ETOT(band)= -0.233897 trlgG= -0.292805 logG= -0.028606 TDE= -0.170797 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006871 logG= -0.008491 Density= 0.040845 ETOT(band)= -0.042678 trlgG= -0.052852 logG= -0.008491 TDE= -0.056467 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001288 tlogG= -0.005746 logG= -0.007034 Density= 0.080629 ETOT(band)= -0.087408 trlgG= -0.109725 logG= -0.007034 TDE= -0.042750 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023994 logG= -0.029336 Density= 0.215674 ETOT(band)= -0.233881 trlgG= -0.295123 logG= -0.029336 TDE= -0.171591 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.022899 logG= -0.027984 Density= 0.214773 ETOT(band)= -0.232431 trlgG= -0.289992 logG= -0.027984 TDE= -0.170445 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001305 tlogG= -0.005982 logG= -0.007287 logGD-logG0= -0.001611 tlogG= -0.007586 logG= -0.009197 Density= 0.081056 ETOT(band)= -0.087559 trlgG= -0.110527 logG= -0.007287 TDE= -0.042899 Density= 0.071488 ETOT(band)= -0.077359 trlgG= -0.096257 logG= -0.009197 TDE= -0.056742 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023792 logG= -0.029168 Density= 0.215320 ETOT(band)= -0.233788 trlgG= -0.294470 logG= -0.029168 TDE= -0.171438 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023475 logG= -0.028845 Density= 0.215198 ETOT(band)= -0.233354 trlgG= -0.293207 logG= -0.028845 TDE= -0.171181 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023838 logG= -0.029031 Density= 0.215482 ETOT(band)= -0.233783 trlgG= -0.294573 logG= -0.029031 TDE= -0.171126 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.023999 logG= -0.028890 logGD-logG0= -0.005163 tlogG= -0.024156 logG= -0.029318 Density= 0.322418 ETOT(band)= -0.351261 trlgG= -0.442470 logG= -0.029318 TDE= -0.171245 Density= 0.321537 ETOT(band)= -0.351152 trlgG= -0.441797 logG= -0.028890 TDE= -0.171239 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023992 logG= -0.029298 Density= 0.216344 ETOT(band)= -0.233362 trlgG= -0.294642 logG= -0.029298 TDE= -0.171608 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023967 logG= -0.028663 Density= 0.212779 ETOT(band)= -0.234308 trlgG= -0.293801 logG= -0.028663 TDE= -0.170845 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023949 logG= -0.029248 Density= 0.216378 ETOT(band)= -0.233257 trlgG= -0.294410 logG= -0.029248 TDE= -0.171581 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.024150 logG= -0.029287 logGD-logG0= -0.010641 tlogG= -0.047771 logG= -0.058412 Density= 0.214725 ETOT(band)= -0.234194 trlgG= -0.294831 logG= -0.029287 TDE= -0.171249 logGD-logG0= -0.005437 tlogG= -0.024115 logG= -0.029551 Density= 0.324333 ETOT(band)= -0.349948 trlgG= -0.441463 logG= -0.058412 TDE= -0.343056 Density= 0.215707 ETOT(band)= -0.234037 trlgG= -0.295539 logG= -0.029551 TDE= -0.171623 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.022432 logG= -0.027668 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010688 tlogG= -0.047220 logG= -0.057908 Density= 0.324113 ETOT(band)= -0.349582 trlgG= -0.440116 logG= -0.057908 TDE= -0.342664 Density= 0.216352 ETOT(band)= -0.231311 trlgG= -0.288899 logG= -0.027668 TDE= -0.170579 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004801 tlogG= -0.023361 logG= -0.028162 Density= 0.321602 ETOT(band)= -0.350107 trlgG= -0.439221 logG= -0.028162 TDE= -0.170914 logGD-logG0= -0.005298 tlogG= -0.022960 logG= -0.028258 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216210 ETOT(band)= -0.232108 trlgG= -0.290884 logG= -0.028258 TDE= -0.170914 logGD-logG0= -0.010928 tlogG= -0.048026 logG= -0.058954 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323229 ETOT(band)= -0.351022 trlgG= -0.442814 logG= -0.058954 TDE= -0.343049 logGD-logG0= -0.005036 tlogG= -0.023876 logG= -0.028912 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213765 ETOT(band)= -0.234041 trlgG= -0.293312 logG= -0.028912 TDE= -0.170807 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010411 tlogG= -0.045615 logG= -0.056027 Density= 0.324019 ETOT(band)= -0.347985 trlgG= -0.435413 logG= -0.056027 TDE= -0.341482 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010049 tlogG= -0.044611 logG= -0.054660 Density= 0.431563 ETOT(band)= -0.462142 trlgG= -0.575334 logG= -0.054660 TDE= -0.340442 logGD-logG0= -0.005319 tlogG= -0.023754 logG= -0.029073 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004858 tlogG= -0.024000 logG= -0.028859 Density= 0.216266 ETOT(band)= -0.233060 trlgG= -0.293706 logG= -0.029073 TDE= -0.171440 Density= 0.214100 ETOT(band)= -0.234117 trlgG= -0.294437 logG= -0.028859 TDE= -0.171244 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005368 tlogG= -0.024077 logG= -0.029445 logGD-logG0= -0.009918 tlogG= -0.046591 logG= -0.056510 logGD-logG0= -0.010686 tlogG= -0.046399 logG= -0.057085 Density= 0.322675 ETOT(band)= -0.349057 trlgG= -0.436855 logG= -0.056510 TDE= -0.341636 Density= 0.323043 ETOT(band)= -0.351231 trlgG= -0.443119 logG= -0.029445 TDE= -0.171437 Density= 0.323975 ETOT(band)= -0.348927 trlgG= -0.438032 logG= -0.057085 TDE= -0.342106 logGD-logG0= -0.001234 tlogG= -0.005305 logG= -0.006539 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081551 ETOT(band)= -0.085696 trlgG= -0.106319 logG= -0.006539 TDE= -0.042464 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005169 logG= -0.006385 Density= 0.062532 ETOT(band)= -0.067555 trlgG= -0.084297 logG= -0.006385 TDE= -0.042362 logGD-logG0= -0.004954 tlogG= -0.023830 logG= -0.028783 Density= 0.213549 ETOT(band)= -0.234181 trlgG= -0.294051 logG= -0.028783 TDE= -0.171062 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023237 logG= -0.028385 Density= 0.321674 ETOT(band)= -0.350610 trlgG= -0.440070 logG= -0.028385 TDE= -0.170867 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001732 tlogG= -0.007114 logG= -0.008846 Density= 0.072223 ETOT(band)= -0.076489 trlgG= -0.094939 logG= -0.008846 TDE= -0.056627 logGD-logG0= -0.009195 tlogG= -0.048085 logG= -0.057280 logGD-logG0= -0.005469 tlogG= -0.023950 logG= -0.029419 Density= 0.425473 ETOT(band)= -0.468416 trlgG= -0.587090 logG= -0.057280 TDE= -0.341807 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323643 ETOT(band)= -0.350694 trlgG= -0.442555 logG= -0.029419 TDE= -0.171495 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005554 tlogG= -0.023347 logG= -0.028901 Density= 0.215090 ETOT(band)= -0.233380 trlgG= -0.293015 logG= -0.028901 TDE= -0.170976 logGD-logG0= -0.005532 tlogG= -0.023677 logG= -0.029209 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215394 ETOT(band)= -0.233637 trlgG= -0.294153 logG= -0.029209 TDE= -0.171269 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.022285 logG= -0.027350 logGD-logG0= -0.009878 tlogG= -0.047826 logG= -0.057704 Density= 0.427994 ETOT(band)= -0.468218 trlgG= -0.588460 logG= -0.057704 TDE= -0.342293 Density= 0.214233 ETOT(band)= -0.232475 trlgG= -0.289749 logG= -0.027350 TDE= -0.170180 logGD-logG0= -0.010550 tlogG= -0.047943 logG= -0.058494 Density= 0.429170 ETOT(band)= -0.468285 trlgG= -0.588869 logG= -0.058494 TDE= -0.342179 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010381 tlogG= -0.048135 logG= -0.058516 Density= 0.429267 ETOT(band)= -0.468323 trlgG= -0.589223 logG= -0.058516 TDE= -0.342339 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005032 tlogG= -0.022468 logG= -0.027500 Density= 0.214997 ETOT(band)= -0.231695 trlgG= -0.288346 logG= -0.027500 TDE= -0.170194 logGD-logG0= -0.009739 tlogG= -0.046594 logG= -0.056333 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428047 ETOT(band)= -0.466917 trlgG= -0.585066 logG= -0.056333 TDE= -0.341662 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009840 tlogG= -0.047758 logG= -0.057598 Density= 0.427126 ETOT(band)= -0.467984 trlgG= -0.586449 logG= -0.057598 TDE= -0.341526 logGD-logG0= -0.010492 tlogG= -0.047655 logG= -0.058147 logGD-logG0= -0.010053 tlogG= -0.047840 logG= -0.057894 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429100 ETOT(band)= -0.467989 trlgG= -0.588427 logG= -0.057894 TDE= -0.342279 Density= 0.428251 ETOT(band)= -0.468199 trlgG= -0.587789 logG= -0.058147 TDE= -0.341934 logGD-logG0= -0.010514 tlogG= -0.048208 logG= -0.058722 logGD-logG0= -0.010892 tlogG= -0.047715 logG= -0.058608 Density= 0.430723 ETOT(band)= -0.467576 trlgG= -0.588942 logG= -0.058608 TDE= -0.342696 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430008 ETOT(band)= -0.468324 trlgG= -0.589989 logG= -0.058722 TDE= -0.342554 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010995 tlogG= -0.047678 logG= -0.058673 Density= 0.431066 ETOT(band)= -0.467518 trlgG= -0.589299 logG= -0.058673 TDE= -0.342802 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010725 tlogG= -0.048057 logG= -0.058782 Density= 0.430115 ETOT(band)= -0.468154 trlgG= -0.589660 logG= -0.058782 TDE= -0.342679 logGD-logG0= -0.010919 tlogG= -0.048004 logG= -0.058923 Density= 0.431308 ETOT(band)= -0.467799 trlgG= -0.590292 logG= -0.058923 TDE= -0.343067 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010234 tlogG= -0.047546 logG= -0.057780 Density= 0.428566 ETOT(band)= -0.467544 trlgG= -0.586827 logG= -0.057780 TDE= -0.341978 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010951 tlogG= -0.047254 logG= -0.058206 Density= 0.430450 ETOT(band)= -0.467153 trlgG= -0.587471 logG= -0.058206 TDE= -0.342311 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022320 logG= -0.027272 Density= 0.322838 ETOT(band)= -0.348027 trlgG= -0.434465 logG= -0.027272 TDE= -0.170261 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010552 tlogG= -0.046917 logG= -0.057469 Density= 0.429842 ETOT(band)= -0.466530 trlgG= -0.584821 logG= -0.057469 TDE= -0.341647 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010477 tlogG= -0.047556 logG= -0.058033 Density= 0.429976 ETOT(band)= -0.467176 trlgG= -0.586751 logG= -0.058033 TDE= -0.342092 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.021342 logG= -0.026450 Density= 0.217001 ETOT(band)= -0.229205 trlgG= -0.284573 logG= -0.026450 TDE= -0.169906 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005066 tlogG= -0.021197 logG= -0.026263 Density= 0.216324 ETOT(band)= -0.230068 trlgG= -0.285833 logG= -0.026263 TDE= -0.169813 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005197 tlogG= -0.021871 logG= -0.027069 Density= 0.216608 ETOT(band)= -0.230313 trlgG= -0.286779 logG= -0.027069 TDE= -0.170239 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.860232733161 eV TrLogG= -407.677936849372 eV Ratio to renormalize= 1.000119031368 rho-rho_expected=-0.002618378427 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964667043486467 0.940422464937969 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002388 tlogG= -0.011877 logG= -0.014265 Density= 0.053554 ETOT(band)= -0.058401 trlgG= -0.073330 logG= -0.014265 TDE= -0.085565 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004669 tlogG= -0.024035 logG= -0.028705 Density= 0.106370 ETOT(band)= -0.117156 trlgG= -0.146929 logG= -0.028705 TDE= -0.170862 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023672 logG= -0.029084 Density= 0.107218 ETOT(band)= -0.117002 trlgG= -0.146974 logG= -0.029084 TDE= -0.170946 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.023633 logG= -0.028755 logGD-logG0= -0.005157 tlogG= -0.022720 logG= -0.027877 Density= 0.108236 ETOT(band)= -0.115871 trlgG= -0.145125 logG= -0.027877 TDE= -0.170809 Density= 0.106963 ETOT(band)= -0.116931 trlgG= -0.146425 logG= -0.028755 TDE= -0.170600 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.022863 logG= -0.028098 Density= 0.107602 ETOT(band)= -0.116296 trlgG= -0.145466 logG= -0.028098 TDE= -0.170614 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004834 tlogG= -0.023674 logG= -0.028509 Density= 0.106959 ETOT(band)= -0.116843 trlgG= -0.146616 logG= -0.028509 TDE= -0.171036 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.022840 logG= -0.027705 Density= 0.107280 ETOT(band)= -0.116238 trlgG= -0.145182 logG= -0.027705 TDE= -0.170565 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023964 logG= -0.028437 Density= 0.106149 ETOT(band)= -0.117125 trlgG= -0.146808 logG= -0.028437 TDE= -0.170899 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.022396 logG= -0.027532 Density= 0.107619 ETOT(band)= -0.115963 trlgG= -0.144570 logG= -0.027532 TDE= -0.170293 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.023490 logG= -0.028348 Density= 0.106756 ETOT(band)= -0.116814 trlgG= -0.146083 logG= -0.028348 TDE= -0.170563 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022979 logG= -0.027811 Density= 0.106854 ETOT(band)= -0.116492 trlgG= -0.145335 logG= -0.027811 TDE= -0.170401 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001730 tlogG= -0.007301 logG= -0.009031 Density= 0.035838 ETOT(band)= -0.038576 trlgG= -0.047952 logG= -0.009031 TDE= -0.056655 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000201 tlogG= -0.000852 logG= -0.001053 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005857 logG= -0.001053 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002483 tlogG= -0.012076 logG= -0.014559 Density= 0.053577 ETOT(band)= -0.058545 trlgG= -0.073692 logG= -0.014559 TDE= -0.085645 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002665 tlogG= -0.012026 logG= -0.014691 Density= 0.053757 ETOT(band)= -0.058533 trlgG= -0.073748 logG= -0.014691 TDE= -0.085658 logGD-logG0= -0.001527 tlogG= -0.007808 logG= -0.009335 Density= 0.035486 ETOT(band)= -0.038926 trlgG= -0.048651 logG= -0.009335 TDE= -0.056877 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001447 tlogG= -0.008041 logG= -0.009487 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004945 tlogG= -0.020975 logG= -0.025920 Density= 0.035306 ETOT(band)= -0.039078 trlgG= -0.049016 logG= -0.009487 TDE= -0.057000 Density= 0.108696 ETOT(band)= -0.114291 trlgG= -0.141794 logG= -0.025920 TDE= -0.169662 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002394 tlogG= -0.011442 logG= -0.013836 Density= 0.053729 ETOT(band)= -0.058070 trlgG= -0.072565 logG= -0.013836 TDE= -0.085316 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.021550 logG= -0.026577 Density= 0.108500 ETOT(band)= -0.114878 trlgG= -0.142951 logG= -0.026577 TDE= -0.170066 logGD-logG0= -0.004446 tlogG= -0.024041 logG= -0.028487 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106097 ETOT(band)= -0.117169 trlgG= -0.146922 logG= -0.028487 TDE= -0.170937 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002621 tlogG= -0.011977 logG= -0.014598 Density= 0.054132 ETOT(band)= -0.058295 trlgG= -0.073610 logG= -0.014598 TDE= -0.085799 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023195 logG= -0.027940 Density= 0.106718 ETOT(band)= -0.116624 trlgG= -0.145599 logG= -0.027940 TDE= -0.170468 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.022443 logG= -0.027605 logGD-logG0= -0.005276 tlogG= -0.023750 logG= -0.029026 Density= 0.108166 ETOT(band)= -0.116539 trlgG= -0.146946 logG= -0.029026 TDE= -0.171446 logGD-logG0= -0.005405 tlogG= -0.024059 logG= -0.029464 logGD-logG0= -0.005132 tlogG= -0.021683 logG= -0.026814 Density= 0.107916 ETOT(band)= -0.115343 trlgG= -0.143384 logG= -0.026814 TDE= -0.169972 Density= 0.108190 ETOT(band)= -0.115735 trlgG= -0.144689 logG= -0.027605 TDE= -0.170622 Density= 0.107631 ETOT(band)= -0.117067 trlgG= -0.147641 logG= -0.029464 TDE= -0.171439 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023417 logG= -0.028688 Density= 0.108119 ETOT(band)= -0.116377 trlgG= -0.146410 logG= -0.028688 TDE= -0.171225 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.022156 logG= -0.027234 Density= 0.108346 ETOT(band)= -0.115429 trlgG= -0.144081 logG= -0.027234 TDE= -0.170462 logGD-logG0= -0.002691 tlogG= -0.011981 logG= -0.014672 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053977 ETOT(band)= -0.058416 trlgG= -0.073731 logG= -0.014672 TDE= -0.085770 logGD-logG0= -0.005229 tlogG= -0.022969 logG= -0.028198 Density= 0.108123 ETOT(band)= -0.116107 trlgG= -0.145636 logG= -0.028198 TDE= -0.170943 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.023676 logG= -0.028632 logGD-logG0= -0.005263 tlogG= -0.023936 logG= -0.029199 Density= 0.108217 ETOT(band)= -0.116614 trlgG= -0.147224 logG= -0.029199 TDE= -0.171576 logGD-logG0= -0.005120 tlogG= -0.024081 logG= -0.029200 Density= 0.107366 ETOT(band)= -0.117032 trlgG= -0.147265 logG= -0.029200 TDE= -0.171195 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107364 ETOT(band)= -0.116722 trlgG= -0.146524 logG= -0.028632 TDE= -0.171021 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023591 logG= -0.028844 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023858 logG= -0.029107 Density= 0.108238 ETOT(band)= -0.116549 trlgG= -0.147075 logG= -0.029107 TDE= -0.171529 Density= 0.108192 ETOT(band)= -0.116423 trlgG= -0.146655 logG= -0.028844 TDE= -0.171349 logGD-logG0= -0.005222 tlogG= -0.023202 logG= -0.028424 logGD-logG0= -0.005437 tlogG= -0.023890 logG= -0.029327 Density= 0.107740 ETOT(band)= -0.116933 trlgG= -0.147426 logG= -0.029327 TDE= -0.171414 Density= 0.108182 ETOT(band)= -0.116200 trlgG= -0.145992 logG= -0.028424 TDE= -0.171102 logGD-logG0= -0.005448 tlogG= -0.024120 logG= -0.029568 logGD-logG0= -0.005415 tlogG= -0.024073 logG= -0.029489 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107877 ETOT(band)= -0.116974 trlgG= -0.147704 logG= -0.029489 TDE= -0.171599 Density= 0.107800 ETOT(band)= -0.117062 trlgG= -0.147830 logG= -0.029568 TDE= -0.171607 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005355 tlogG= -0.023955 logG= -0.029310 Density= 0.107431 ETOT(band)= -0.117053 trlgG= -0.147368 logG= -0.029310 TDE= -0.171221 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004804 tlogG= -0.023658 logG= -0.028462 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106580 ETOT(band)= -0.116961 trlgG= -0.146512 logG= -0.028462 TDE= -0.170792 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023883 logG= -0.028911 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106741 ETOT(band)= -0.117115 trlgG= -0.147039 logG= -0.028911 TDE= -0.170949 logGD-logG0= -0.004988 tlogG= -0.022838 logG= -0.027825 Density= 0.107733 ETOT(band)= -0.116092 trlgG= -0.145054 logG= -0.027825 TDE= -0.170541 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.024057 logG= -0.029064 Density= 0.107042 ETOT(band)= -0.117095 trlgG= -0.147292 logG= -0.029064 TDE= -0.171198 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002464 tlogG= -0.010419 logG= -0.012883 Density= 0.054371 ETOT(band)= -0.057072 trlgG= -0.070757 logG= -0.012883 TDE= -0.084780 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005427 tlogG= -0.023184 logG= -0.028611 Density= 0.107670 ETOT(band)= -0.116544 trlgG= -0.146275 logG= -0.028611 TDE= -0.170945 logGD-logG0= -0.005401 tlogG= -0.023856 logG= -0.029257 Density= 0.107904 ETOT(band)= -0.116800 trlgG= -0.147319 logG= -0.029257 TDE= -0.171458 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010036 tlogG= -0.048220 logG= -0.058256 Density= 0.214375 ETOT(band)= -0.234148 trlgG= -0.294658 logG= -0.058256 TDE= -0.342485 logGD-logG0= -0.009719 tlogG= -0.045736 logG= -0.055456 logGD-logG0= -0.005438 tlogG= -0.023566 logG= -0.029004 Density= 0.214987 ETOT(band)= -0.232308 trlgG= -0.290265 logG= -0.055456 TDE= -0.341195 Density= 0.107788 ETOT(band)= -0.116705 trlgG= -0.146904 logG= -0.029004 TDE= -0.171239 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010182 tlogG= -0.047877 logG= -0.058059 Density= 0.213940 ETOT(band)= -0.234187 trlgG= -0.294348 logG= -0.058059 TDE= -0.342157 logGD-logG0= -0.010712 tlogG= -0.048058 logG= -0.058770 logGD-logG0= -0.009902 tlogG= -0.047135 logG= -0.057038 Density= 0.213734 ETOT(band)= -0.233744 trlgG= -0.293085 logG= -0.057038 TDE= -0.341814 logGD-logG0= -0.005390 tlogG= -0.024045 logG= -0.029434 Density= 0.215048 ETOT(band)= -0.234123 trlgG= -0.295000 logG= -0.058770 TDE= -0.342646 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107936 ETOT(band)= -0.116907 trlgG= -0.147615 logG= -0.029434 TDE= -0.171593 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.047135 logG= -0.057193 logGD-logG0= -0.009999 tlogG= -0.045566 logG= -0.055566 Density= 0.214330 ETOT(band)= -0.232660 trlgG= -0.290444 logG= -0.055566 TDE= -0.340940 Density= 0.213746 ETOT(band)= -0.233788 trlgG= -0.292876 logG= -0.057193 TDE= -0.341455 logGD-logG0= -0.010757 tlogG= -0.047724 logG= -0.058481 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047763 logG= -0.058385 Density= 0.214732 ETOT(band)= -0.234070 trlgG= -0.294490 logG= -0.058481 TDE= -0.342270 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214631 ETOT(band)= -0.234064 trlgG= -0.294322 logG= -0.058385 TDE= -0.342147 logGD-logG0= -0.009674 tlogG= -0.047424 logG= -0.057098 Density= 0.214281 ETOT(band)= -0.233573 trlgG= -0.293214 logG= -0.057098 TDE= -0.342153 logGD-logG0= -0.009357 tlogG= -0.047611 logG= -0.056968 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212889 ETOT(band)= -0.234046 trlgG= -0.293161 logG= -0.056968 TDE= -0.341541 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009787 tlogG= -0.047911 logG= -0.057697 Density= 0.213240 ETOT(band)= -0.234253 trlgG= -0.293802 logG= -0.057697 TDE= -0.341627 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010793 tlogG= -0.047992 logG= -0.058785 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010421 tlogG= -0.047638 logG= -0.058059 Density= 0.213921 ETOT(band)= -0.234174 trlgG= -0.294100 logG= -0.058059 TDE= -0.341900 logGD-logG0= -0.010560 tlogG= -0.047957 logG= -0.058517 Density= 0.215050 ETOT(band)= -0.233978 trlgG= -0.294584 logG= -0.058517 TDE= -0.342485 Density= 0.215085 ETOT(band)= -0.234114 trlgG= -0.295027 logG= -0.058785 TDE= -0.342677 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010305 tlogG= -0.048005 logG= -0.058311 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214506 ETOT(band)= -0.234094 trlgG= -0.294407 logG= -0.058311 TDE= -0.342244 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010851 tlogG= -0.047502 logG= -0.058353 logGD-logG0= -0.010104 tlogG= -0.045626 logG= -0.055729 Density= 0.215678 ETOT(band)= -0.233568 trlgG= -0.294369 logG= -0.058353 TDE= -0.342745 Density= 0.215121 ETOT(band)= -0.232383 trlgG= -0.290255 logG= -0.055729 TDE= -0.340978 logGD-logG0= -0.010777 tlogG= -0.047914 logG= -0.058691 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215875 ETOT(band)= -0.233684 trlgG= -0.294931 logG= -0.058691 TDE= -0.343066 logGD-logG0= -0.010856 tlogG= -0.046856 logG= -0.057712 logGD-logG0= -0.010906 tlogG= -0.048123 logG= -0.059029 logGD-logG0= -0.010417 tlogG= -0.046389 logG= -0.056806 Density= 0.215189 ETOT(band)= -0.232944 trlgG= -0.291887 logG= -0.056806 TDE= -0.341567 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215402 ETOT(band)= -0.234139 trlgG= -0.295464 logG= -0.059029 TDE= -0.343027 Density= 0.215406 ETOT(band)= -0.233333 trlgG= -0.293329 logG= -0.057712 TDE= -0.342211 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010647 tlogG= -0.047288 logG= -0.057934 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010814 tlogG= -0.047399 logG= -0.058213 Density= 0.214234 ETOT(band)= -0.233966 trlgG= -0.293574 logG= -0.057934 TDE= -0.341654 Density= 0.215445 ETOT(band)= -0.233609 trlgG= -0.294130 logG= -0.058213 TDE= -0.342530 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047201 logG= -0.057230 Density= 0.214449 ETOT(band)= -0.233533 trlgG= -0.292986 logG= -0.057230 TDE= -0.341876 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010832 tlogG= -0.047863 logG= -0.058695 Density= 0.215747 ETOT(band)= -0.233757 trlgG= -0.294934 logG= -0.058695 TDE= -0.343001 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.047129 logG= -0.057458 logGD-logG0= -0.002524 tlogG= -0.010835 logG= -0.013359 Density= 0.215126 ETOT(band)= -0.233345 trlgG= -0.292905 logG= -0.057458 TDE= -0.341901 Density= 0.054056 ETOT(band)= -0.057590 trlgG= -0.071605 logG= -0.013359 TDE= -0.084995 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001288 tlogG= -0.005744 logG= -0.007033 Density= 0.080626 ETOT(band)= -0.087399 trlgG= -0.109712 logG= -0.007033 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.021861 logG= -0.026974 logGD-logG0= -0.001665 tlogG= -0.006987 logG= -0.008652 Density= 0.108310 ETOT(band)= -0.115245 trlgG= -0.143631 logG= -0.026974 TDE= -0.170255 Density= 0.036191 ETOT(band)= -0.038127 trlgG= -0.047290 logG= -0.008652 TDE= -0.056547 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005191 tlogG= -0.021806 logG= -0.026997 Density= 0.107773 ETOT(band)= -0.115535 trlgG= -0.143694 logG= -0.026997 TDE= -0.170029 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005198 tlogG= -0.023945 logG= -0.029143 Density= 0.214313 ETOT(band)= -0.234099 trlgG= -0.294181 logG= -0.029143 TDE= -0.171061 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023962 logG= -0.028659 Density= 0.212773 ETOT(band)= -0.234282 trlgG= -0.293765 logG= -0.028659 TDE= -0.170829 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.022954 logG= -0.028255 Density= 0.216201 ETOT(band)= -0.232085 trlgG= -0.290851 logG= -0.028255 TDE= -0.170898 logGD-logG0= -0.005036 tlogG= -0.023872 logG= -0.028908 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213758 ETOT(band)= -0.234015 trlgG= -0.293276 logG= -0.028908 TDE= -0.170790 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004772 tlogG= -0.023359 logG= -0.028130 Density= 0.214152 ETOT(band)= -0.233380 trlgG= -0.292608 logG= -0.028130 TDE= -0.170906 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.023184 logG= -0.028472 Density= 0.214840 ETOT(band)= -0.232959 trlgG= -0.291487 logG= -0.028472 TDE= -0.170615 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010257 tlogG= -0.043366 logG= -0.053623 Density= 0.216248 ETOT(band)= -0.230473 trlgG= -0.286743 logG= -0.053623 TDE= -0.340131 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004913 tlogG= -0.022315 logG= -0.027228 Density= 0.214997 ETOT(band)= -0.231960 trlgG= -0.289358 logG= -0.027228 TDE= -0.170251 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004608 tlogG= -0.023576 logG= -0.028183 Density= 0.212580 ETOT(band)= -0.234006 trlgG= -0.293017 logG= -0.028183 TDE= -0.170693 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.023880 logG= -0.028602 Density= 0.213247 ETOT(band)= -0.233871 trlgG= -0.292769 logG= -0.028602 TDE= -0.170781 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.022895 logG= -0.027980 Density= 0.214766 ETOT(band)= -0.232406 trlgG= -0.289957 logG= -0.027980 TDE= -0.170429 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001611 tlogG= -0.007585 logG= -0.009196 Density= 0.071486 ETOT(band)= -0.077350 trlgG= -0.096245 logG= -0.009196 TDE= -0.056737 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001303 tlogG= -0.005852 logG= -0.007155 Density= 0.080639 ETOT(band)= -0.087613 trlgG= -0.110266 logG= -0.007155 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.022280 logG= -0.027347 Density= 0.214226 ETOT(band)= -0.232450 trlgG= -0.289713 logG= -0.027347 TDE= -0.170164 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005302 tlogG= -0.023943 logG= -0.029244 Density= 0.216368 ETOT(band)= -0.233235 trlgG= -0.294377 logG= -0.029244 TDE= -0.171565 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.024145 logG= -0.029283 Density= 0.214717 ETOT(band)= -0.234170 trlgG= -0.294795 logG= -0.029283 TDE= -0.171233 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005487 tlogG= -0.023884 logG= -0.029372 Density= 0.215624 ETOT(band)= -0.233760 trlgG= -0.294816 logG= -0.029372 TDE= -0.171430 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009197 tlogG= -0.048075 logG= -0.057272 Density= 0.425461 ETOT(band)= -0.468363 trlgG= -0.587016 logG= -0.057272 TDE= -0.341775 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.021287 logG= -0.026314 Density= 0.162630 ETOT(band)= -0.172988 trlgG= -0.216112 logG= -0.026314 TDE= -0.169878 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001473 tlogG= -0.007962 logG= -0.009435 Density= 0.070853 ETOT(band)= -0.077954 trlgG= -0.097546 logG= -0.009435 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.021337 logG= -0.026447 Density= 0.216992 ETOT(band)= -0.229182 trlgG= -0.284542 logG= -0.026447 TDE= -0.169891 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010205 tlogG= -0.044598 logG= -0.054803 Density= 0.324246 ETOT(band)= -0.346681 trlgG= -0.432351 logG= -0.054803 TDE= -0.340772 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004420 tlogG= -0.024121 logG= -0.028541 Density= 0.212132 ETOT(band)= -0.234388 trlgG= -0.293967 logG= -0.028541 TDE= -0.170976 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.021192 logG= -0.026261 Density= 0.216316 ETOT(band)= -0.230044 trlgG= -0.285801 logG= -0.026261 TDE= -0.169798 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001308 tlogG= -0.005936 logG= -0.007243 Density= 0.080823 ETOT(band)= -0.087648 trlgG= -0.110462 logG= -0.007243 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004552 tlogG= -0.023729 logG= -0.028282 Density= 0.213049 ETOT(band)= -0.233597 trlgG= -0.292040 logG= -0.028282 TDE= -0.170778 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001306 tlogG= -0.005980 logG= -0.007286 Density= 0.081053 ETOT(band)= -0.087550 trlgG= -0.110514 logG= -0.007286 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001621 tlogG= -0.006869 logG= -0.008491 Density= 0.040843 ETOT(band)= -0.042674 trlgG= -0.052846 logG= -0.008491 TDE= -0.056462 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005168 logG= -0.006384 Density= 0.062530 ETOT(band)= -0.067548 trlgG= -0.084287 logG= -0.006384 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005616 logG= -0.006884 Density= 0.080827 ETOT(band)= -0.086970 trlgG= -0.108708 logG= -0.006884 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005200 tlogG= -0.021866 logG= -0.027066 Density= 0.216599 ETOT(band)= -0.230290 trlgG= -0.286747 logG= -0.027066 TDE= -0.170223 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010053 tlogG= -0.044601 logG= -0.054654 Density= 0.431547 ETOT(band)= -0.462094 trlgG= -0.575267 logG= -0.054654 TDE= -0.340410 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005322 tlogG= -0.023748 logG= -0.029070 Density= 0.216257 ETOT(band)= -0.233037 trlgG= -0.293673 logG= -0.029070 TDE= -0.171424 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005345 tlogG= -0.023987 logG= -0.029333 Density= 0.215665 ETOT(band)= -0.233857 trlgG= -0.295088 logG= -0.029333 TDE= -0.171574 logGD-logG0= -0.005379 tlogG= -0.023786 logG= -0.029165 Density= 0.215311 ETOT(band)= -0.233764 trlgG= -0.294435 logG= -0.029165 TDE= -0.171422 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.023470 logG= -0.028842 Density= 0.215190 ETOT(band)= -0.233330 trlgG= -0.293173 logG= -0.028842 TDE= -0.171165 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001235 tlogG= -0.005304 logG= -0.006539 Density= 0.081548 ETOT(band)= -0.085688 trlgG= -0.106308 logG= -0.006539 TDE= -0.042460 logGD-logG0= -0.005535 tlogG= -0.023670 logG= -0.029206 Density= 0.215385 ETOT(band)= -0.233613 trlgG= -0.294119 logG= -0.029206 TDE= -0.171253 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009685 tlogG= -0.046693 logG= -0.056377 Density= 0.427825 ETOT(band)= -0.466146 trlgG= -0.582388 logG= -0.056377 TDE= -0.341214 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004893 tlogG= -0.023994 logG= -0.028887 logGD-logG0= -0.005440 tlogG= -0.024108 logG= -0.029548 Density= 0.321525 ETOT(band)= -0.351115 trlgG= -0.441744 logG= -0.028887 TDE= -0.171223 Density= 0.215698 ETOT(band)= -0.234013 trlgG= -0.295504 logG= -0.029548 TDE= -0.171607 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.023986 logG= -0.029295 Density= 0.216334 ETOT(band)= -0.233339 trlgG= -0.294609 logG= -0.029295 TDE= -0.171592 logGD-logG0= -0.009841 tlogG= -0.047749 logG= -0.057590 Density= 0.427113 ETOT(band)= -0.467933 trlgG= -0.586376 logG= -0.057590 TDE= -0.341494 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.024150 logG= -0.029315 Density= 0.322405 ETOT(band)= -0.351224 trlgG= -0.442417 logG= -0.029315 TDE= -0.171229 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009888 tlogG= -0.047630 logG= -0.057518 Density= 0.426607 ETOT(band)= -0.468385 trlgG= -0.587527 logG= -0.057518 TDE= -0.341792 logGD-logG0= -0.004803 tlogG= -0.023355 logG= -0.028159 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321591 ETOT(band)= -0.350069 trlgG= -0.439168 logG= -0.028159 TDE= -0.170898 logGD-logG0= -0.005195 tlogG= -0.023833 logG= -0.029028 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215473 ETOT(band)= -0.233760 trlgG= -0.294538 logG= -0.029028 TDE= -0.171110 logGD-logG0= -0.005238 tlogG= -0.022426 logG= -0.027665 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216344 ETOT(band)= -0.231288 trlgG= -0.288866 logG= -0.027665 TDE= -0.170563 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010171 tlogG= -0.046376 logG= -0.056548 Density= 0.429472 ETOT(band)= -0.465570 trlgG= -0.582057 logG= -0.056548 TDE= -0.341325 logGD-logG0= -0.005329 tlogG= -0.023401 logG= -0.028730 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216175 ETOT(band)= -0.232658 trlgG= -0.292466 logG= -0.028730 TDE= -0.171185 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010932 tlogG= -0.048015 logG= -0.058947 Density= 0.323215 ETOT(band)= -0.350986 trlgG= -0.442762 logG= -0.058947 TDE= -0.343017 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010647 tlogG= -0.047759 logG= -0.058406 Density= 0.324318 ETOT(band)= -0.349913 trlgG= -0.441413 logG= -0.058406 TDE= -0.343024 logGD-logG0= -0.005369 tlogG= -0.024072 logG= -0.029441 logGD-logG0= -0.005034 tlogG= -0.022463 logG= -0.027497 Density= 0.214990 ETOT(band)= -0.231671 trlgG= -0.288312 logG= -0.027497 TDE= -0.170178 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023233 logG= -0.028381 Density= 0.323029 ETOT(band)= -0.351195 trlgG= -0.443066 logG= -0.029441 TDE= -0.171420 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321662 ETOT(band)= -0.350573 trlgG= -0.440017 logG= -0.028381 TDE= -0.170851 logGD-logG0= -0.010414 tlogG= -0.045606 logG= -0.056020 Density= 0.324006 ETOT(band)= -0.347949 trlgG= -0.435363 logG= -0.056020 TDE= -0.341450 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.023824 logG= -0.028780 Density= 0.213542 ETOT(band)= -0.234155 trlgG= -0.294014 logG= -0.028780 TDE= -0.171046 logGD-logG0= -0.004903 tlogG= -0.023232 logG= -0.028135 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213464 ETOT(band)= -0.233624 trlgG= -0.292498 logG= -0.028135 TDE= -0.170742 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010693 tlogG= -0.047208 logG= -0.057901 Density= 0.324099 ETOT(band)= -0.349547 trlgG= -0.440066 logG= -0.057901 TDE= -0.342632 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.023995 logG= -0.028855 Density= 0.214092 ETOT(band)= -0.234091 trlgG= -0.294401 logG= -0.028855 TDE= -0.171228 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005472 tlogG= -0.023944 logG= -0.029416 Density= 0.323629 ETOT(band)= -0.350659 trlgG= -0.442504 logG= -0.029416 TDE= -0.171479 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.046581 logG= -0.056503 Density= 0.322664 ETOT(band)= -0.349020 trlgG= -0.436804 logG= -0.056503 TDE= -0.341605 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010691 tlogG= -0.046387 logG= -0.057078 Density= 0.323961 ETOT(band)= -0.348892 trlgG= -0.437981 logG= -0.057078 TDE= -0.342074 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009882 tlogG= -0.047815 logG= -0.057697 Density= 0.427979 ETOT(band)= -0.468167 trlgG= -0.588389 logG= -0.057697 TDE= -0.342261 logGD-logG0= -0.010554 tlogG= -0.047933 logG= -0.058486 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429154 ETOT(band)= -0.468236 trlgG= -0.588798 logG= -0.058486 TDE= -0.342146 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005555 tlogG= -0.023343 logG= -0.028898 Density= 0.215082 ETOT(band)= -0.233356 trlgG= -0.292980 logG= -0.028898 TDE= -0.170959 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010385 tlogG= -0.048125 logG= -0.058509 Density= 0.429251 ETOT(band)= -0.468274 trlgG= -0.589152 logG= -0.058509 TDE= -0.342307 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009742 tlogG= -0.046583 logG= -0.056326 Density= 0.428033 ETOT(band)= -0.466867 trlgG= -0.584995 logG= -0.056326 TDE= -0.341630 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010518 tlogG= -0.048198 logG= -0.058715 Density= 0.429990 ETOT(band)= -0.468276 trlgG= -0.589917 logG= -0.058715 TDE= -0.342521 logGD-logG0= -0.010057 tlogG= -0.047829 logG= -0.057886 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010895 tlogG= -0.047706 logG= -0.058601 Density= 0.430705 ETOT(band)= -0.467528 trlgG= -0.588872 logG= -0.058601 TDE= -0.342663 logGD-logG0= -0.011001 tlogG= -0.047666 logG= -0.058666 logGD-logG0= -0.010495 tlogG= -0.047645 logG= -0.058140 Density= 0.428236 ETOT(band)= -0.468149 trlgG= -0.587718 logG= -0.058140 TDE= -0.341902 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429083 ETOT(band)= -0.467939 trlgG= -0.588357 logG= -0.057886 TDE= -0.342247 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010728 tlogG= -0.048047 logG= -0.058775 Density= 0.430097 ETOT(band)= -0.468106 trlgG= -0.589589 logG= -0.058775 TDE= -0.342646 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431047 ETOT(band)= -0.467470 trlgG= -0.589230 logG= -0.058666 TDE= -0.342770 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.046907 logG= -0.057462 Density= 0.429826 ETOT(band)= -0.466482 trlgG= -0.584751 logG= -0.057462 TDE= -0.341614 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.047535 logG= -0.057773 Density= 0.428551 ETOT(band)= -0.467494 trlgG= -0.586757 logG= -0.057773 TDE= -0.341946 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010954 tlogG= -0.047245 logG= -0.058199 Density= 0.430433 ETOT(band)= -0.467105 trlgG= -0.587401 logG= -0.058199 TDE= -0.342279 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010925 tlogG= -0.047991 logG= -0.058916 Density= 0.431289 ETOT(band)= -0.467752 trlgG= -0.590223 logG= -0.058916 TDE= -0.343034 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.022315 logG= -0.027269 logGD-logG0= -0.010480 tlogG= -0.047546 logG= -0.058026 Density= 0.322827 ETOT(band)= -0.347991 trlgG= -0.434414 logG= -0.027269 TDE= -0.170245 Density= 0.429959 ETOT(band)= -0.467127 trlgG= -0.586680 logG= -0.058026 TDE= -0.342059 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001733 tlogG= -0.007112 logG= -0.008845 Density= 0.072220 ETOT(band)= -0.076481 trlgG= -0.094929 logG= -0.008845 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001255 tlogG= -0.005465 logG= -0.006719 Density= 0.081189 ETOT(band)= -0.086356 trlgG= -0.107468 logG= -0.006719 TDE= -0.042572 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.826214572106 eV TrLogG= -407.623787749055 eV Ratio to renormalize= 1.000156638433 rho-rho_expected=-0.003445505828 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 60) Finished k-point number 122 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964657910026027 0.940407815319332 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002315 tlogG= -0.011882 logG= -0.014197 Density= 0.053618 ETOT(band)= -0.058380 trlgG= -0.073228 logG= -0.014197 TDE= -0.085564 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004935 tlogG= -0.022166 logG= -0.027101 Density= 0.108466 ETOT(band)= -0.115392 trlgG= -0.143885 logG= -0.027101 TDE= -0.170458 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004522 tlogG= -0.024044 logG= -0.028566 Density= 0.106504 ETOT(band)= -0.117110 trlgG= -0.146721 logG= -0.028566 TDE= -0.170859 logGD-logG0= -0.005012 tlogG= -0.022730 logG= -0.027743 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108357 ETOT(band)= -0.115834 trlgG= -0.144928 logG= -0.027743 TDE= -0.170805 logGD-logG0= -0.004657 tlogG= -0.023667 logG= -0.028324 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106712 ETOT(band)= -0.116917 trlgG= -0.146306 logG= -0.028324 TDE= -0.170788 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.023212 logG= -0.028289 logGD-logG0= -0.004859 tlogG= -0.024066 logG= -0.028926 Density= 0.107171 ETOT(band)= -0.117052 trlgG= -0.147087 logG= -0.028926 TDE= -0.171195 Density= 0.108304 ETOT(band)= -0.116163 trlgG= -0.145794 logG= -0.028289 TDE= -0.171098 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.023193 logG= -0.028475 Density= 0.107795 ETOT(band)= -0.116504 trlgG= -0.146074 logG= -0.028475 TDE= -0.170942 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002549 tlogG= -0.011982 logG= -0.014531 Density= 0.054193 ETOT(band)= -0.058276 trlgG= -0.073511 logG= -0.014531 TDE= -0.085797 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002618 tlogG= -0.011986 logG= -0.014604 Density= 0.054039 ETOT(band)= -0.058396 trlgG= -0.073631 logG= -0.014604 TDE= -0.085769 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.023602 logG= -0.028709 Density= 0.108314 ETOT(band)= -0.116385 trlgG= -0.146456 logG= -0.028709 TDE= -0.171346 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001252 tlogG= -0.005747 logG= -0.006999 Density= 0.080720 ETOT(band)= -0.087368 trlgG= -0.109560 logG= -0.006999 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023867 logG= -0.029121 Density= 0.108028 ETOT(band)= -0.116761 trlgG= -0.147118 logG= -0.029121 TDE= -0.171455 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004547 ETOT(band)= -0.004732 trlgG= -0.005849 logG= -0.001047 TDE= -0.007052 logGD-logG0= -0.002592 tlogG= -0.012031 logG= -0.014622 Density= 0.053820 ETOT(band)= -0.058512 trlgG= -0.073646 logG= -0.014622 TDE= -0.085656 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.045585 logG= -0.055296 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214585 ETOT(band)= -0.232578 trlgG= -0.290042 logG= -0.055296 TDE= -0.340933 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009492 tlogG= -0.047928 logG= -0.057419 Density= 0.213504 ETOT(band)= -0.234163 trlgG= -0.293387 logG= -0.057419 TDE= -0.341620 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.012081 logG= -0.014490 Density= 0.053641 ETOT(band)= -0.058523 trlgG= -0.073589 logG= -0.014490 TDE= -0.085643 logGD-logG0= -0.009766 tlogG= -0.047152 logG= -0.056918 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214006 ETOT(band)= -0.233701 trlgG= -0.292466 logG= -0.056918 TDE= -0.341449 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002322 tlogG= -0.011447 logG= -0.013769 Density= 0.053792 ETOT(band)= -0.058050 trlgG= -0.072465 logG= -0.013769 TDE= -0.085315 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001479 tlogG= -0.007811 logG= -0.009289 Density= 0.035530 ETOT(band)= -0.038911 trlgG= -0.048583 logG= -0.009289 TDE= -0.056876 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.008044 logG= -0.009441 Density= 0.035352 ETOT(band)= -0.039062 trlgG= -0.048946 logG= -0.009441 TDE= -0.056999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.022964 logG= -0.028120 logGD-logG0= -0.005094 tlogG= -0.022436 logG= -0.027531 Density= 0.216587 ETOT(band)= -0.231213 trlgG= -0.288472 logG= -0.027531 TDE= -0.170560 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216445 ETOT(band)= -0.232009 trlgG= -0.290455 logG= -0.028120 TDE= -0.170895 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023971 logG= -0.028520 Density= 0.213040 ETOT(band)= -0.234190 trlgG= -0.293348 logG= -0.028520 TDE= -0.170826 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023242 logG= -0.027999 logGD-logG0= -0.004713 tlogG= -0.024004 logG= -0.028717 Density= 0.214351 ETOT(band)= -0.234005 trlgG= -0.293990 logG= -0.028717 TDE= -0.171224 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213726 ETOT(band)= -0.233536 trlgG= -0.292087 logG= -0.027999 TDE= -0.170739 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023412 logG= -0.028595 Density= 0.216420 ETOT(band)= -0.232581 trlgG= -0.292069 logG= -0.028595 TDE= -0.171182 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.023947 logG= -0.029064 Density= 0.108340 ETOT(band)= -0.116575 trlgG= -0.147026 logG= -0.029064 TDE= -0.171573 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023352 logG= -0.028761 Density= 0.215333 ETOT(band)= -0.233276 trlgG= -0.292577 logG= -0.028761 TDE= -0.170956 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.022454 logG= -0.027471 logGD-logG0= -0.005131 tlogG= -0.023760 logG= -0.028891 Density= 0.108289 ETOT(band)= -0.116501 trlgG= -0.146747 logG= -0.028891 TDE= -0.171443 logGD-logG0= -0.005126 tlogG= -0.023427 logG= -0.028553 Density= 0.108241 ETOT(band)= -0.116339 trlgG= -0.146212 logG= -0.028553 TDE= -0.171222 logGD-logG0= -0.004325 tlogG= -0.023972 logG= -0.028298 Density= 0.108311 ETOT(band)= -0.115698 trlgG= -0.144492 logG= -0.027471 TDE= -0.170619 Density= 0.106284 ETOT(band)= -0.117078 trlgG= -0.146599 logG= -0.028298 TDE= -0.170896 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.022979 logG= -0.028064 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108245 ETOT(band)= -0.116069 trlgG= -0.145438 logG= -0.028064 TDE= -0.170939 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.021871 logG= -0.026842 logGD-logG0= -0.004601 tlogG= -0.023203 logG= -0.027804 Density= 0.106848 ETOT(band)= -0.116581 trlgG= -0.145395 logG= -0.027804 TDE= -0.170465 Density= 0.108431 ETOT(band)= -0.115208 trlgG= -0.143437 logG= -0.026842 TDE= -0.170251 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005268 tlogG= -0.024084 logG= -0.029351 logGD-logG0= -0.005291 tlogG= -0.023899 logG= -0.029190 logGD-logG0= -0.005300 tlogG= -0.024130 logG= -0.029430 Density= 0.107925 ETOT(band)= -0.117021 trlgG= -0.147627 logG= -0.029430 TDE= -0.171604 Density= 0.108001 ETOT(band)= -0.116934 trlgG= -0.147502 logG= -0.029351 TDE= -0.171595 Density= 0.107865 ETOT(band)= -0.116892 trlgG= -0.147223 logG= -0.029190 TDE= -0.171411 logGD-logG0= -0.005258 tlogG= -0.024068 logG= -0.029326 Density= 0.107757 ETOT(band)= -0.117026 trlgG= -0.147438 logG= -0.029326 TDE= -0.171435 logGD-logG0= -0.005265 tlogG= -0.023681 logG= -0.028946 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107345 ETOT(band)= -0.116959 trlgG= -0.146769 logG= -0.028946 TDE= -0.170943 logGD-logG0= -0.004976 tlogG= -0.023641 logG= -0.028617 logGD-logG0= -0.005105 tlogG= -0.023868 logG= -0.028973 logGD-logG0= -0.004972 tlogG= -0.024090 logG= -0.029062 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107092 ETOT(band)= -0.116888 trlgG= -0.146220 logG= -0.028617 TDE= -0.170597 Density= 0.108360 ETOT(band)= -0.116511 trlgG= -0.146877 logG= -0.028973 TDE= -0.171526 Density= 0.107494 ETOT(band)= -0.116990 trlgG= -0.147061 logG= -0.029062 TDE= -0.171192 logGD-logG0= -0.005208 tlogG= -0.023964 logG= -0.029172 logGD-logG0= -0.005091 tlogG= -0.022873 logG= -0.027963 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004993 tlogG= -0.022406 logG= -0.027398 Density= 0.107743 ETOT(band)= -0.115925 trlgG= -0.144371 logG= -0.027398 TDE= -0.170290 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107558 ETOT(band)= -0.117012 trlgG= -0.147165 logG= -0.029172 TDE= -0.171218 Density= 0.107727 ETOT(band)= -0.116257 trlgG= -0.145266 logG= -0.027963 TDE= -0.170611 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.022847 logG= -0.027691 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107857 ETOT(band)= -0.116053 trlgG= -0.144855 logG= -0.027691 TDE= -0.170538 logGD-logG0= -0.004687 tlogG= -0.023684 logG= -0.028371 Density= 0.107089 ETOT(band)= -0.116800 trlgG= -0.146411 logG= -0.028371 TDE= -0.171033 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004688 tlogG= -0.022988 logG= -0.027675 Density= 0.106983 ETOT(band)= -0.116450 trlgG= -0.145133 logG= -0.027675 TDE= -0.170398 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.023891 logG= -0.028772 logGD-logG0= -0.004712 tlogG= -0.023498 logG= -0.028210 Density= 0.106886 ETOT(band)= -0.116771 trlgG= -0.145878 logG= -0.028210 TDE= -0.170560 Density= 0.106872 ETOT(band)= -0.117070 trlgG= -0.146832 logG= -0.028772 TDE= -0.170946 logGD-logG0= -0.004809 tlogG= -0.023686 logG= -0.028495 Density= 0.107491 ETOT(band)= -0.116681 trlgG= -0.146321 logG= -0.028495 TDE= -0.171018 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004721 tlogG= -0.022849 logG= -0.027570 Density= 0.107407 ETOT(band)= -0.116197 trlgG= -0.144982 logG= -0.027570 TDE= -0.170562 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.024055 logG= -0.029298 Density= 0.108060 ETOT(band)= -0.116867 trlgG= -0.147414 logG= -0.029298 TDE= -0.171590 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023576 logG= -0.028868 Density= 0.107912 ETOT(band)= -0.116665 trlgG= -0.146703 logG= -0.028868 TDE= -0.171236 logGD-logG0= -0.009431 tlogG= -0.045755 logG= -0.055186 Density= 0.215238 ETOT(band)= -0.232228 trlgG= -0.289865 logG= -0.055186 TDE= -0.341189 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009063 tlogG= -0.047628 logG= -0.056691 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213154 ETOT(band)= -0.233956 trlgG= -0.292746 logG= -0.056691 TDE= -0.341535 logGD-logG0= -0.009741 tlogG= -0.048239 logG= -0.057979 logGD-logG0= -0.004298 tlogG= -0.024049 logG= -0.028348 Density= 0.106232 ETOT(band)= -0.117122 trlgG= -0.146712 logG= -0.028348 TDE= -0.170934 Density= 0.214631 ETOT(band)= -0.234062 trlgG= -0.294248 logG= -0.057979 TDE= -0.342479 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009608 tlogG= -0.047154 logG= -0.056762 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213994 ETOT(band)= -0.233657 trlgG= -0.292675 logG= -0.056762 TDE= -0.341808 logGD-logG0= -0.009886 tlogG= -0.047895 logG= -0.057782 Density= 0.214199 ETOT(band)= -0.234100 trlgG= -0.293936 logG= -0.057782 TDE= -0.342151 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.048077 logG= -0.058495 logGD-logG0= -0.010463 tlogG= -0.047742 logG= -0.058205 Density= 0.214986 ETOT(band)= -0.233987 trlgG= -0.294082 logG= -0.058205 TDE= -0.342263 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215300 ETOT(band)= -0.234040 trlgG= -0.294593 logG= -0.058495 TDE= -0.342640 logGD-logG0= -0.009381 tlogG= -0.047442 logG= -0.056823 Density= 0.214538 ETOT(band)= -0.233488 trlgG= -0.292805 logG= -0.056823 TDE= -0.342147 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009815 tlogG= -0.045645 logG= -0.055460 logGD-logG0= -0.010266 tlogG= -0.047975 logG= -0.058241 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215371 ETOT(band)= -0.232303 trlgG= -0.289856 logG= -0.055460 TDE= -0.340972 Density= 0.215302 ETOT(band)= -0.233895 trlgG= -0.294177 logG= -0.058241 TDE= -0.342478 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010327 tlogG= -0.047782 logG= -0.058109 Density= 0.214886 ETOT(band)= -0.233980 trlgG= -0.293913 logG= -0.058109 TDE= -0.342140 logGD-logG0= -0.002453 tlogG= -0.010840 logG= -0.013293 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010126 tlogG= -0.047656 logG= -0.057782 Density= 0.214180 ETOT(band)= -0.234087 trlgG= -0.293688 logG= -0.057782 TDE= -0.341893 Density= 0.054116 ETOT(band)= -0.057572 trlgG= -0.071507 logG= -0.013293 TDE= -0.084994 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001618 tlogG= -0.006990 logG= -0.008609 Density= 0.036231 ETOT(band)= -0.038115 trlgG= -0.047226 logG= -0.008609 TDE= -0.056546 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010010 tlogG= -0.048024 logG= -0.058034 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010484 tlogG= -0.047935 logG= -0.058419 logGD-logG0= -0.001683 tlogG= -0.007304 logG= -0.008987 Density= 0.035880 ETOT(band)= -0.038563 trlgG= -0.047886 logG= -0.008987 TDE= -0.056654 Density= 0.216123 ETOT(band)= -0.233606 trlgG= -0.294530 logG= -0.058419 TDE= -0.343059 Density= 0.214762 ETOT(band)= -0.234009 trlgG= -0.293997 logG= -0.058034 TDE= -0.342238 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010612 tlogG= -0.048141 logG= -0.058753 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.046875 logG= -0.057440 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215653 ETOT(band)= -0.234057 trlgG= -0.295057 logG= -0.058753 TDE= -0.343020 logGD-logG0= -0.010559 tlogG= -0.047522 logG= -0.058081 Density= 0.215927 ETOT(band)= -0.233489 trlgG= -0.293968 logG= -0.058081 TDE= -0.342738 Density= 0.215655 ETOT(band)= -0.233253 trlgG= -0.292927 logG= -0.057440 TDE= -0.342204 logGD-logG0= -0.002394 tlogG= -0.010424 logG= -0.012818 Density= 0.054430 ETOT(band)= -0.057055 trlgG= -0.070662 logG= -0.012818 TDE= -0.084778 logGD-logG0= -0.010127 tlogG= -0.046408 logG= -0.056535 logGD-logG0= -0.010538 tlogG= -0.047884 logG= -0.058422 Density= 0.215439 ETOT(band)= -0.232864 trlgG= -0.291486 logG= -0.056535 TDE= -0.341561 logGD-logG0= -0.010499 tlogG= -0.048011 logG= -0.058509 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215337 ETOT(band)= -0.234031 trlgG= -0.294620 logG= -0.058509 TDE= -0.342670 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215995 ETOT(band)= -0.233677 trlgG= -0.294531 logG= -0.058422 TDE= -0.342994 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010353 tlogG= -0.047305 logG= -0.057658 Density= 0.214491 ETOT(band)= -0.233881 trlgG= -0.293165 logG= -0.057658 TDE= -0.341648 logGD-logG0= -0.010522 tlogG= -0.047417 logG= -0.057940 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215695 ETOT(band)= -0.233529 trlgG= -0.293727 logG= -0.057940 TDE= -0.342524 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010038 tlogG= -0.047148 logG= -0.057185 Density= 0.215377 ETOT(band)= -0.233264 trlgG= -0.292501 logG= -0.057185 TDE= -0.341895 logGD-logG0= -0.009736 tlogG= -0.047220 logG= -0.056956 Density= 0.214704 ETOT(band)= -0.233450 trlgG= -0.292579 logG= -0.056956 TDE= -0.341870 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.021561 logG= -0.026446 Density= 0.108620 ETOT(band)= -0.114843 trlgG= -0.142758 logG= -0.026446 TDE= -0.170063 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004805 tlogG= -0.020986 logG= -0.025790 Density= 0.108815 ETOT(band)= -0.114256 trlgG= -0.141602 logG= -0.025790 TDE= -0.169659 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004990 tlogG= -0.021692 logG= -0.026682 logGD-logG0= -0.009975 tlogG= -0.043384 logG= -0.053360 Density= 0.216491 ETOT(band)= -0.230400 trlgG= -0.286354 logG= -0.053360 TDE= -0.340125 Density= 0.108039 ETOT(band)= -0.115305 trlgG= -0.143189 logG= -0.026682 TDE= -0.169969 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.021815 logG= -0.026865 Density= 0.107896 ETOT(band)= -0.115498 trlgG= -0.143498 logG= -0.026865 TDE= -0.170025 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001270 tlogG= -0.005983 logG= -0.007253 Density= 0.081145 ETOT(band)= -0.087521 trlgG= -0.110365 logG= -0.007253 TDE= -0.042894 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.023759 logG= -0.028935 Density= 0.216502 ETOT(band)= -0.232960 trlgG= -0.293275 logG= -0.028935 TDE= -0.171421 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.023895 logG= -0.029235 Density= 0.215873 ETOT(band)= -0.233680 trlgG= -0.294413 logG= -0.029235 TDE= -0.171427 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009394 tlogG= -0.046710 logG= -0.056104 Density= 0.428340 ETOT(band)= -0.465978 trlgG= -0.581577 logG= -0.056104 TDE= -0.341208 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009593 tlogG= -0.047647 logG= -0.057240 Density= 0.427133 ETOT(band)= -0.468206 trlgG= -0.586698 logG= -0.057240 TDE= -0.341786 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009547 tlogG= -0.047766 logG= -0.057313 Density= 0.427634 ETOT(band)= -0.467758 trlgG= -0.585553 logG= -0.057313 TDE= -0.341488 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004886 tlogG= -0.021298 logG= -0.026184 Density= 0.162810 ETOT(band)= -0.172934 trlgG= -0.215820 logG= -0.026184 TDE= -0.169875 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001271 tlogG= -0.005938 logG= -0.007209 Density= 0.080917 ETOT(band)= -0.087618 trlgG= -0.110311 logG= -0.007209 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009919 tlogG= -0.044617 logG= -0.054536 Density= 0.324612 ETOT(band)= -0.346569 trlgG= -0.431762 logG= -0.054536 TDE= -0.340766 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005855 logG= -0.007121 Density= 0.080733 ETOT(band)= -0.087582 trlgG= -0.110114 logG= -0.007121 TDE= -0.042810 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001232 tlogG= -0.005618 logG= -0.006850 Density= 0.080920 ETOT(band)= -0.086941 trlgG= -0.108559 logG= -0.006850 TDE= -0.042668 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023998 logG= -0.029197 Density= 0.215914 ETOT(band)= -0.233777 trlgG= -0.294685 logG= -0.029197 TDE= -0.171571 logGD-logG0= -0.001424 tlogG= -0.007965 logG= -0.009389 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070942 ETOT(band)= -0.077924 trlgG= -0.097408 logG= -0.009389 TDE= -0.056960 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023996 logG= -0.029159 Density= 0.216579 ETOT(band)= -0.233262 trlgG= -0.294211 logG= -0.029159 TDE= -0.171589 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023796 logG= -0.029029 Density= 0.215562 ETOT(band)= -0.233683 trlgG= -0.294031 logG= -0.029029 TDE= -0.171419 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.023480 logG= -0.028706 Density= 0.215441 ETOT(band)= -0.233249 trlgG= -0.292770 logG= -0.028706 TDE= -0.171162 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.023842 logG= -0.028891 Density= 0.215723 ETOT(band)= -0.233679 trlgG= -0.294135 logG= -0.028891 TDE= -0.171107 logGD-logG0= -0.004745 tlogG= -0.024003 logG= -0.028749 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321911 ETOT(band)= -0.350986 trlgG= -0.441129 logG= -0.028749 TDE= -0.171220 logGD-logG0= -0.005017 tlogG= -0.024160 logG= -0.029176 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.024119 logG= -0.029410 Density= 0.322785 ETOT(band)= -0.351100 trlgG= -0.441806 logG= -0.029176 TDE= -0.171225 Density= 0.215947 ETOT(band)= -0.233933 trlgG= -0.295099 logG= -0.029410 TDE= -0.171604 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.023954 logG= -0.029005 Density= 0.214570 ETOT(band)= -0.234014 trlgG= -0.293772 logG= -0.029005 TDE= -0.171058 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004658 tlogG= -0.023365 logG= -0.028023 logGD-logG0= -0.004462 tlogG= -0.023585 logG= -0.028046 Density= 0.212848 ETOT(band)= -0.233914 trlgG= -0.292602 logG= -0.028046 TDE= -0.170690 Density= 0.321975 ETOT(band)= -0.349942 trlgG= -0.438557 logG= -0.028023 TDE= -0.170895 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004406 tlogG= -0.023738 logG= -0.028144 Density= 0.213313 ETOT(band)= -0.233509 trlgG= -0.291630 logG= -0.028144 TDE= -0.170774 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010637 tlogG= -0.048034 logG= -0.058672 logGD-logG0= -0.005156 tlogG= -0.023953 logG= -0.029109 Density= 0.323590 ETOT(band)= -0.350865 trlgG= -0.442154 logG= -0.058672 TDE= -0.343010 logGD-logG0= -0.010356 tlogG= -0.047779 logG= -0.058135 logGD-logG0= -0.010126 tlogG= -0.045625 logG= -0.055751 Density= 0.324374 ETOT(band)= -0.347835 trlgG= -0.434768 logG= -0.055751 TDE= -0.341444 Density= 0.216613 ETOT(band)= -0.233158 trlgG= -0.293979 logG= -0.029109 TDE= -0.171562 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324687 ETOT(band)= -0.349798 trlgG= -0.440815 logG= -0.058135 TDE= -0.343017 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.024154 logG= -0.029145 Density= 0.214971 ETOT(band)= -0.234086 trlgG= -0.294387 logG= -0.029145 TDE= -0.171230 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005170 logG= -0.006352 Density= 0.062605 ETOT(band)= -0.067523 trlgG= -0.084170 logG= -0.006352 TDE= -0.042358 logGD-logG0= -0.004889 tlogG= -0.023881 logG= -0.028770 Density= 0.214018 ETOT(band)= -0.233929 trlgG= -0.292864 logG= -0.028770 TDE= -0.170787 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.023242 logG= -0.028246 Density= 0.322045 ETOT(band)= -0.350447 trlgG= -0.439405 logG= -0.028246 TDE= -0.170848 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.006873 logG= -0.008448 Density= 0.040887 ETOT(band)= -0.042661 trlgG= -0.052775 logG= -0.008448 TDE= -0.056461 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005325 tlogG= -0.023954 logG= -0.029279 Density= 0.324001 ETOT(band)= -0.350540 trlgG= -0.441901 logG= -0.029279 TDE= -0.171476 logGD-logG0= -0.010402 tlogG= -0.047229 logG= -0.057631 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324468 ETOT(band)= -0.349431 trlgG= -0.439468 logG= -0.057631 TDE= -0.342625 logGD-logG0= -0.004575 tlogG= -0.023888 logG= -0.028464 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.024081 logG= -0.029303 Density= 0.323406 ETOT(band)= -0.351072 trlgG= -0.442456 logG= -0.029303 TDE= -0.171417 Density= 0.213510 ETOT(band)= -0.233782 trlgG= -0.292357 logG= -0.028464 TDE= -0.170778 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.046408 logG= -0.056808 Density= 0.324330 ETOT(band)= -0.348776 trlgG= -0.437384 logG= -0.056808 TDE= -0.342068 logGD-logG0= -0.009632 tlogG= -0.046600 logG= -0.056231 Density= 0.323039 ETOT(band)= -0.348901 trlgG= -0.436202 logG= -0.056231 TDE= -0.341598 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022903 logG= -0.027845 Density= 0.215018 ETOT(band)= -0.232326 trlgG= -0.289557 logG= -0.027845 TDE= -0.170426 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023193 logG= -0.028335 Density= 0.215092 ETOT(band)= -0.232878 trlgG= -0.291084 logG= -0.028335 TDE= -0.170612 logGD-logG0= -0.008902 tlogG= -0.048092 logG= -0.056994 logGD-logG0= -0.005388 tlogG= -0.023681 logG= -0.029069 Density= 0.215635 ETOT(band)= -0.233533 trlgG= -0.293716 logG= -0.029069 TDE= -0.171250 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425995 ETOT(band)= -0.468180 trlgG= -0.586185 logG= -0.056994 TDE= -0.341769 logGD-logG0= -0.004807 tlogG= -0.023834 logG= -0.028641 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004626 tlogG= -0.023368 logG= -0.027994 Density= 0.214409 ETOT(band)= -0.233295 trlgG= -0.292200 logG= -0.027994 TDE= -0.170903 Density= 0.213804 ETOT(band)= -0.234066 trlgG= -0.293601 logG= -0.028641 TDE= -0.171043 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001564 tlogG= -0.007588 logG= -0.009151 Density= 0.071570 ETOT(band)= -0.077324 trlgG= -0.096112 logG= -0.009151 TDE= -0.056736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.047834 logG= -0.057421 Density= 0.428497 ETOT(band)= -0.467994 trlgG= -0.587566 logG= -0.057421 TDE= -0.342254 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010089 tlogG= -0.048143 logG= -0.058233 Density= 0.429760 ETOT(band)= -0.468106 trlgG= -0.588335 logG= -0.058233 TDE= -0.342301 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.048066 logG= -0.058499 Density= 0.430602 ETOT(band)= -0.467940 trlgG= -0.588774 logG= -0.058499 TDE= -0.342640 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010258 tlogG= -0.047952 logG= -0.058210 Density= 0.429664 ETOT(band)= -0.468067 trlgG= -0.587979 logG= -0.058210 TDE= -0.342140 logGD-logG0= -0.009451 tlogG= -0.046602 logG= -0.056053 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428549 ETOT(band)= -0.466696 trlgG= -0.584179 logG= -0.056053 TDE= -0.341624 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010707 tlogG= -0.047686 logG= -0.058393 Density= 0.431546 ETOT(band)= -0.467310 trlgG= -0.588424 logG= -0.058393 TDE= -0.342763 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.047664 logG= -0.057863 Density= 0.428751 ETOT(band)= -0.467977 trlgG= -0.586897 logG= -0.057863 TDE= -0.341895 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047724 logG= -0.058326 Density= 0.431206 ETOT(band)= -0.467366 trlgG= -0.588064 logG= -0.058326 TDE= -0.342656 logGD-logG0= -0.009880 tlogG= -0.046395 logG= -0.056275 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429977 ETOT(band)= -0.465408 trlgG= -0.581252 logG= -0.056275 TDE= -0.341319 logGD-logG0= -0.010630 tlogG= -0.048011 logG= -0.058642 Density= 0.431788 ETOT(band)= -0.467592 trlgG= -0.589416 logG= -0.058642 TDE= -0.343028 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010223 tlogG= -0.048216 logG= -0.058439 logGD-logG0= -0.009763 tlogG= -0.047848 logG= -0.057611 Density= 0.429594 ETOT(band)= -0.467770 trlgG= -0.587539 logG= -0.057611 TDE= -0.342241 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430496 ETOT(band)= -0.468110 trlgG= -0.589102 logG= -0.058439 TDE= -0.342514 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010263 tlogG= -0.046926 logG= -0.057189 Density= 0.430330 ETOT(band)= -0.466319 trlgG= -0.583943 logG= -0.057189 TDE= -0.341607 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009943 tlogG= -0.047554 logG= -0.057497 Density= 0.429063 ETOT(band)= -0.467324 trlgG= -0.585940 logG= -0.057497 TDE= -0.341940 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010662 tlogG= -0.047263 logG= -0.057925 Density= 0.430934 ETOT(band)= -0.466943 trlgG= -0.586594 logG= -0.057925 TDE= -0.342272 logGD-logG0= -0.010187 tlogG= -0.047565 logG= -0.057752 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430463 ETOT(band)= -0.466964 trlgG= -0.585870 logG= -0.057752 TDE= -0.342053 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004272 tlogG= -0.024129 logG= -0.028402 Density= 0.212403 ETOT(band)= -0.234293 trlgG= -0.293548 logG= -0.028402 TDE= -0.170973 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004811 tlogG= -0.022325 logG= -0.027136 Density= 0.323202 ETOT(band)= -0.347872 trlgG= -0.433817 logG= -0.027136 TDE= -0.170242 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001219 tlogG= -0.005467 logG= -0.006686 Density= 0.081280 ETOT(band)= -0.086329 trlgG= -0.107322 logG= -0.006686 TDE= -0.042571 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001200 tlogG= -0.005306 logG= -0.006506 Density= 0.081637 ETOT(band)= -0.085662 trlgG= -0.106164 logG= -0.006506 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001686 tlogG= -0.007116 logG= -0.008802 Density= 0.072300 ETOT(band)= -0.076457 trlgG= -0.094800 logG= -0.008802 TDE= -0.056621 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004771 tlogG= -0.022324 logG= -0.027095 Density= 0.215248 ETOT(band)= -0.231881 trlgG= -0.288960 logG= -0.027095 TDE= -0.170248 logGD-logG0= -0.004924 tlogG= -0.022290 logG= -0.027213 Density= 0.214481 ETOT(band)= -0.232368 trlgG= -0.289312 logG= -0.027213 TDE= -0.170161 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005057 tlogG= -0.021876 logG= -0.026934 Density= 0.216841 ETOT(band)= -0.230217 trlgG= -0.286358 logG= -0.026934 TDE= -0.170220 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004969 tlogG= -0.021347 logG= -0.026316 Density= 0.217231 ETOT(band)= -0.229112 trlgG= -0.284157 logG= -0.026316 TDE= -0.169888 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009768 tlogG= -0.044620 logG= -0.054388 Density= 0.432040 ETOT(band)= -0.461943 trlgG= -0.574482 logG= -0.054388 TDE= -0.340404 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.021202 logG= -0.026130 Density= 0.216559 ETOT(band)= -0.229972 trlgG= -0.285412 logG= -0.026130 TDE= -0.169795 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004891 tlogG= -0.022472 logG= -0.027363 Density= 0.215241 ETOT(band)= -0.231593 trlgG= -0.287916 logG= -0.027363 TDE= -0.170175 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.712220580653 eV TrLogG= -407.235047439684 eV Ratio to renormalize= 0.998981846460 rho-rho_expected= 0.022422207127 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964703964460304 0.940496379244842 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002313 tlogG= -0.011886 logG= -0.014199 Density= 0.053620 ETOT(band)= -0.058388 trlgG= -0.073239 logG= -0.014199 TDE= -0.085574 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002321 tlogG= -0.011450 logG= -0.013771 Density= 0.053794 ETOT(band)= -0.058058 trlgG= -0.072476 logG= -0.013771 TDE= -0.085324 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004521 tlogG= -0.024050 logG= -0.028570 Density= 0.106507 ETOT(band)= -0.117126 trlgG= -0.146744 logG= -0.028570 TDE= -0.170879 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023688 logG= -0.028951 logGD-logG0= -0.005009 tlogG= -0.022737 logG= -0.027747 Density= 0.108363 ETOT(band)= -0.115848 trlgG= -0.144948 logG= -0.027747 TDE= -0.170825 Density= 0.107351 ETOT(band)= -0.116975 trlgG= -0.146792 logG= -0.028951 TDE= -0.170964 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.023220 logG= -0.028294 Density= 0.108310 ETOT(band)= -0.116177 trlgG= -0.145815 logG= -0.028294 TDE= -0.171118 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023691 logG= -0.028376 Density= 0.107093 ETOT(band)= -0.116816 trlgG= -0.146434 logG= -0.028376 TDE= -0.171053 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004718 tlogG= -0.022856 logG= -0.027574 Density= 0.107412 ETOT(band)= -0.116213 trlgG= -0.145004 logG= -0.027574 TDE= -0.170582 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004548 ETOT(band)= -0.004732 trlgG= -0.005850 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002591 tlogG= -0.012034 logG= -0.014625 logGD-logG0= -0.002408 tlogG= -0.012084 logG= -0.014492 Density= 0.053644 ETOT(band)= -0.058531 trlgG= -0.073600 logG= -0.014492 TDE= -0.085654 Density= 0.053823 ETOT(band)= -0.058520 trlgG= -0.073657 logG= -0.014625 TDE= -0.085667 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001478 tlogG= -0.007813 logG= -0.009291 Density= 0.035531 ETOT(band)= -0.038917 trlgG= -0.048591 logG= -0.009291 TDE= -0.056882 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023768 logG= -0.028895 Density= 0.108295 ETOT(band)= -0.116515 trlgG= -0.146769 logG= -0.028895 TDE= -0.171463 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023434 logG= -0.028557 logGD-logG0= -0.002547 tlogG= -0.011986 logG= -0.014533 logGD-logG0= -0.004297 tlogG= -0.024056 logG= -0.028353 Density= 0.106236 ETOT(band)= -0.117139 trlgG= -0.146736 logG= -0.028353 TDE= -0.170954 Density= 0.054196 ETOT(band)= -0.058283 trlgG= -0.073521 logG= -0.014533 TDE= -0.085807 Density= 0.108247 ETOT(band)= -0.116353 trlgG= -0.146233 logG= -0.028557 TDE= -0.171242 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004324 tlogG= -0.023979 logG= -0.028303 Density= 0.106287 ETOT(band)= -0.117095 trlgG= -0.146623 logG= -0.028303 TDE= -0.170916 logGD-logG0= -0.005256 tlogG= -0.024075 logG= -0.029331 Density= 0.107762 ETOT(band)= -0.117041 trlgG= -0.147460 logG= -0.029331 TDE= -0.171456 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004599 tlogG= -0.023210 logG= -0.027809 logGD-logG0= -0.001397 tlogG= -0.008046 logG= -0.009443 Density= 0.035353 ETOT(band)= -0.039068 trlgG= -0.048954 logG= -0.009443 TDE= -0.057006 Density= 0.106852 ETOT(band)= -0.116597 trlgG= -0.145418 logG= -0.027809 TDE= -0.170485 logGD-logG0= -0.005014 tlogG= -0.022461 logG= -0.027475 Density= 0.108317 ETOT(band)= -0.115712 trlgG= -0.144513 logG= -0.027475 TDE= -0.170639 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023954 logG= -0.029068 Density= 0.108346 ETOT(band)= -0.116590 trlgG= -0.147047 logG= -0.029068 TDE= -0.171593 logGD-logG0= -0.004686 tlogG= -0.022994 logG= -0.027680 Density= 0.106987 ETOT(band)= -0.116466 trlgG= -0.145155 logG= -0.027680 TDE= -0.170418 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.011990 logG= -0.014606 Density= 0.054042 ETOT(band)= -0.058403 trlgG= -0.073642 logG= -0.014606 TDE= -0.085779 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022986 logG= -0.028068 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.022173 logG= -0.027105 Density= 0.108250 ETOT(band)= -0.116084 trlgG= -0.145459 logG= -0.028068 TDE= -0.170959 Density= 0.108471 ETOT(band)= -0.115407 trlgG= -0.143905 logG= -0.027105 TDE= -0.170478 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004711 tlogG= -0.023504 logG= -0.028215 Density= 0.106890 ETOT(band)= -0.116787 trlgG= -0.145900 logG= -0.028215 TDE= -0.170580 logGD-logG0= -0.005104 tlogG= -0.023609 logG= -0.028713 logGD-logG0= -0.005297 tlogG= -0.024138 logG= -0.029435 logGD-logG0= -0.004970 tlogG= -0.024097 logG= -0.029067 Density= 0.107931 ETOT(band)= -0.117036 trlgG= -0.147649 logG= -0.029435 TDE= -0.171624 Density= 0.108320 ETOT(band)= -0.116400 trlgG= -0.146477 logG= -0.028713 TDE= -0.171366 Density= 0.107499 ETOT(band)= -0.117006 trlgG= -0.147083 logG= -0.029067 TDE= -0.171212 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.023692 logG= -0.028499 logGD-logG0= -0.004975 tlogG= -0.023646 logG= -0.028622 logGD-logG0= -0.005206 tlogG= -0.023971 logG= -0.029177 Density= 0.107563 ETOT(band)= -0.117027 trlgG= -0.147187 logG= -0.029177 TDE= -0.171238 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107097 ETOT(band)= -0.116904 trlgG= -0.146243 logG= -0.028622 TDE= -0.170618 Density= 0.107496 ETOT(band)= -0.116696 trlgG= -0.146343 logG= -0.028499 TDE= -0.171038 logGD-logG0= -0.005289 tlogG= -0.023905 logG= -0.029194 Density= 0.107871 ETOT(band)= -0.116907 trlgG= -0.147246 logG= -0.029194 TDE= -0.171431 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.023876 logG= -0.028977 Density= 0.108366 ETOT(band)= -0.116526 trlgG= -0.146898 logG= -0.028977 TDE= -0.171546 logGD-logG0= -0.004656 tlogG= -0.023673 logG= -0.028329 Density= 0.106716 ETOT(band)= -0.116933 trlgG= -0.146329 logG= -0.028329 TDE= -0.170809 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004841 tlogG= -0.022853 logG= -0.027695 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107862 ETOT(band)= -0.116068 trlgG= -0.144877 logG= -0.027695 TDE= -0.170557 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.023896 logG= -0.028777 Density= 0.106876 ETOT(band)= -0.117086 trlgG= -0.146855 logG= -0.028777 TDE= -0.170966 logGD-logG0= -0.004857 tlogG= -0.024073 logG= -0.028930 Density= 0.107176 ETOT(band)= -0.117067 trlgG= -0.147109 logG= -0.028930 TDE= -0.171215 logGD-logG0= -0.005089 tlogG= -0.022879 logG= -0.027968 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107731 ETOT(band)= -0.116272 trlgG= -0.145288 logG= -0.027968 TDE= -0.170631 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023199 logG= -0.028479 Density= 0.107800 ETOT(band)= -0.116519 trlgG= -0.146096 logG= -0.028479 TDE= -0.170962 logGD-logG0= -0.005264 tlogG= -0.024092 logG= -0.029356 Density= 0.108007 ETOT(band)= -0.116949 trlgG= -0.147524 logG= -0.029356 TDE= -0.171616 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023875 logG= -0.029125 logGD-logG0= -0.005288 tlogG= -0.023584 logG= -0.028872 Density= 0.107918 ETOT(band)= -0.116680 trlgG= -0.146725 logG= -0.028872 TDE= -0.171256 Density= 0.108034 ETOT(band)= -0.116776 trlgG= -0.147140 logG= -0.029125 TDE= -0.171475 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009736 tlogG= -0.048253 logG= -0.057989 Density= 0.214641 ETOT(band)= -0.234093 trlgG= -0.294293 logG= -0.057989 TDE= -0.342519 logGD-logG0= -0.009603 tlogG= -0.047169 logG= -0.056772 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009426 tlogG= -0.045769 logG= -0.055195 Density= 0.215248 ETOT(band)= -0.232259 trlgG= -0.289908 logG= -0.055195 TDE= -0.341229 Density= 0.214003 ETOT(band)= -0.233689 trlgG= -0.292720 logG= -0.056772 TDE= -0.341848 logGD-logG0= -0.004990 tlogG= -0.022412 logG= -0.027402 logGD-logG0= -0.009061 tlogG= -0.047640 logG= -0.056701 Density= 0.107748 ETOT(band)= -0.115940 trlgG= -0.144393 logG= -0.027402 TDE= -0.170310 logGD-logG0= -0.001617 tlogG= -0.006993 logG= -0.008610 Density= 0.036233 ETOT(band)= -0.038120 trlgG= -0.047233 logG= -0.008610 TDE= -0.056553 Density= 0.213162 ETOT(band)= -0.233989 trlgG= -0.292792 logG= -0.056701 TDE= -0.341574 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009490 tlogG= -0.047939 logG= -0.057429 Density= 0.213512 ETOT(band)= -0.234196 trlgG= -0.293433 logG= -0.057429 TDE= -0.341661 logGD-logG0= -0.009765 tlogG= -0.047163 logG= -0.056927 Density= 0.214014 ETOT(band)= -0.233733 trlgG= -0.292511 logG= -0.056927 TDE= -0.341489 logGD-logG0= -0.009705 tlogG= -0.045599 logG= -0.055305 Density= 0.214593 ETOT(band)= -0.232609 trlgG= -0.290086 logG= -0.055305 TDE= -0.340973 logGD-logG0= -0.005239 tlogG= -0.024063 logG= -0.029302 Density= 0.108066 ETOT(band)= -0.116882 trlgG= -0.147436 logG= -0.029302 TDE= -0.171610 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010459 tlogG= -0.047756 logG= -0.058214 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007306 logG= -0.008989 Density= 0.035881 ETOT(band)= -0.038568 trlgG= -0.047893 logG= -0.008989 TDE= -0.056661 logGD-logG0= -0.009376 tlogG= -0.047456 logG= -0.056832 Density= 0.214547 ETOT(band)= -0.233520 trlgG= -0.292850 logG= -0.056832 TDE= -0.342187 Density= 0.214997 ETOT(band)= -0.234017 trlgG= -0.294128 logG= -0.058214 TDE= -0.342305 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009811 tlogG= -0.045658 logG= -0.055468 Density= 0.215380 ETOT(band)= -0.232334 trlgG= -0.289899 logG= -0.055468 TDE= -0.341012 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010414 tlogG= -0.048090 logG= -0.058504 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215311 ETOT(band)= -0.234071 trlgG= -0.294638 logG= -0.058504 TDE= -0.342681 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010323 tlogG= -0.047795 logG= -0.058118 logGD-logG0= -0.009882 tlogG= -0.047909 logG= -0.057791 Density= 0.214896 ETOT(band)= -0.234011 trlgG= -0.293958 logG= -0.058118 TDE= -0.342181 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002452 tlogG= -0.010843 logG= -0.013295 Density= 0.214209 ETOT(band)= -0.234132 trlgG= -0.293981 logG= -0.057791 TDE= -0.342191 logGD-logG0= -0.010495 tlogG= -0.048023 logG= -0.058519 Density= 0.054119 ETOT(band)= -0.057579 trlgG= -0.071517 logG= -0.013295 TDE= -0.085003 Density= 0.215348 ETOT(band)= -0.234062 trlgG= -0.294665 logG= -0.058519 TDE= -0.342711 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002392 tlogG= -0.010428 logG= -0.012820 Density= 0.054433 ETOT(band)= -0.057062 trlgG= -0.070671 logG= -0.012820 TDE= -0.084788 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010123 tlogG= -0.047669 logG= -0.057791 Density= 0.214189 ETOT(band)= -0.234119 trlgG= -0.293733 logG= -0.057791 TDE= -0.341934 logGD-logG0= -0.010477 tlogG= -0.047951 logG= -0.058428 logGD-logG0= -0.010006 tlogG= -0.048038 logG= -0.058043 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216135 ETOT(band)= -0.233635 trlgG= -0.294573 logG= -0.058428 TDE= -0.343100 Density= 0.214772 ETOT(band)= -0.234040 trlgG= -0.294041 logG= -0.058043 TDE= -0.342278 logGD-logG0= -0.010551 tlogG= -0.047538 logG= -0.058090 Density= 0.215938 ETOT(band)= -0.233519 trlgG= -0.294011 logG= -0.058090 TDE= -0.342779 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.047988 logG= -0.058250 logGD-logG0= -0.010608 tlogG= -0.048154 logG= -0.058762 Density= 0.215313 ETOT(band)= -0.233926 trlgG= -0.294222 logG= -0.058250 TDE= -0.342519 logGD-logG0= -0.010123 tlogG= -0.046420 logG= -0.056543 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215664 ETOT(band)= -0.234087 trlgG= -0.295102 logG= -0.058762 TDE= -0.343061 logGD-logG0= -0.010519 tlogG= -0.047429 logG= -0.057949 Density= 0.215450 ETOT(band)= -0.232894 trlgG= -0.291529 logG= -0.056543 TDE= -0.341601 Density= 0.215706 ETOT(band)= -0.233559 trlgG= -0.293771 logG= -0.057949 TDE= -0.342564 logGD-logG0= -0.010351 tlogG= -0.047317 logG= -0.057668 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214501 ETOT(band)= -0.233912 trlgG= -0.293210 logG= -0.057668 TDE= -0.341688 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009732 tlogG= -0.047233 logG= -0.056965 Density= 0.214713 ETOT(band)= -0.233481 trlgG= -0.292623 logG= -0.056965 TDE= -0.341910 logGD-logG0= -0.010531 tlogG= -0.047900 logG= -0.058431 Density= 0.216007 ETOT(band)= -0.233707 trlgG= -0.294575 logG= -0.058431 TDE= -0.343035 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.046887 logG= -0.057449 Density= 0.215666 ETOT(band)= -0.233283 trlgG= -0.292971 logG= -0.057449 TDE= -0.342245 logGD-logG0= -0.010034 tlogG= -0.047160 logG= -0.057194 Density= 0.215387 ETOT(band)= -0.233294 trlgG= -0.292545 logG= -0.057194 TDE= -0.341935 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.020992 logG= -0.025794 Density= 0.108820 ETOT(band)= -0.114270 trlgG= -0.141622 logG= -0.025794 TDE= -0.169678 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004882 tlogG= -0.021568 logG= -0.026450 Density= 0.108625 ETOT(band)= -0.114857 trlgG= -0.142778 logG= -0.026450 TDE= -0.170082 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004968 tlogG= -0.021878 logG= -0.026846 Density= 0.108436 ETOT(band)= -0.115223 trlgG= -0.143457 logG= -0.026846 TDE= -0.170271 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005047 tlogG= -0.021822 logG= -0.026869 Density= 0.107901 ETOT(band)= -0.115513 trlgG= -0.143519 logG= -0.026869 TDE= -0.170045 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004988 tlogG= -0.021699 logG= -0.026686 Density= 0.108043 ETOT(band)= -0.115320 trlgG= -0.143210 logG= -0.026686 TDE= -0.169989 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009970 tlogG= -0.043397 logG= -0.053368 Density= 0.216501 ETOT(band)= -0.230430 trlgG= -0.286395 logG= -0.053368 TDE= -0.340163 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001251 tlogG= -0.005749 logG= -0.007000 Density= 0.080724 ETOT(band)= -0.087380 trlgG= -0.109577 logG= -0.007000 TDE= -0.042750 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001231 tlogG= -0.005620 logG= -0.006851 Density= 0.080923 ETOT(band)= -0.086952 trlgG= -0.108575 logG= -0.006851 TDE= -0.042673 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.023961 logG= -0.029010 Density= 0.214580 ETOT(band)= -0.234045 trlgG= -0.293817 logG= -0.029010 TDE= -0.171078 logGD-logG0= -0.004549 tlogG= -0.023977 logG= -0.028525 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213047 ETOT(band)= -0.234223 trlgG= -0.293394 logG= -0.028525 TDE= -0.170846 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.022972 logG= -0.028124 Density= 0.216456 ETOT(band)= -0.232038 trlgG= -0.290497 logG= -0.028124 TDE= -0.170914 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005180 tlogG= -0.023419 logG= -0.028599 Density= 0.216431 ETOT(band)= -0.232610 trlgG= -0.292111 logG= -0.028599 TDE= -0.171202 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023375 logG= -0.027999 Density= 0.214418 ETOT(band)= -0.233327 trlgG= -0.292245 logG= -0.027999 TDE= -0.170923 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.022331 logG= -0.027099 Density= 0.215257 ETOT(band)= -0.231912 trlgG= -0.289003 logG= -0.027099 TDE= -0.170268 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001423 tlogG= -0.007967 logG= -0.009390 Density= 0.070945 ETOT(band)= -0.077935 trlgG= -0.097424 logG= -0.009390 TDE= -0.056967 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001574 tlogG= -0.006875 logG= -0.008449 Density= 0.040889 ETOT(band)= -0.042666 trlgG= -0.052782 logG= -0.008449 TDE= -0.056467 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001266 tlogG= -0.005857 logG= -0.007122 Density= 0.080737 ETOT(band)= -0.087594 trlgG= -0.110131 logG= -0.007122 TDE= -0.042815 logGD-logG0= -0.004574 tlogG= -0.023894 logG= -0.028468 Density= 0.213518 ETOT(band)= -0.233815 trlgG= -0.292402 logG= -0.028468 TDE= -0.170798 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005940 logG= -0.007210 Density= 0.080921 ETOT(band)= -0.087629 trlgG= -0.110328 logG= -0.007210 TDE= -0.042869 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004271 tlogG= -0.024136 logG= -0.028407 Density= 0.212410 ETOT(band)= -0.234327 trlgG= -0.293595 logG= -0.028407 TDE= -0.170993 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.024006 logG= -0.029201 Density= 0.215925 ETOT(band)= -0.233807 trlgG= -0.294729 logG= -0.029201 TDE= -0.171591 logGD-logG0= -0.004405 tlogG= -0.023744 logG= -0.028149 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213320 ETOT(band)= -0.233541 trlgG= -0.291676 logG= -0.028149 TDE= -0.170795 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005985 logG= -0.007254 Density= 0.081150 ETOT(band)= -0.087532 trlgG= -0.110381 logG= -0.007254 TDE= -0.042899 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004460 tlogG= -0.023591 logG= -0.028051 Density= 0.212855 ETOT(band)= -0.233948 trlgG= -0.292649 logG= -0.028051 TDE= -0.170710 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.023804 logG= -0.029033 Density= 0.215573 ETOT(band)= -0.233713 trlgG= -0.294074 logG= -0.029033 TDE= -0.171439 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.023486 logG= -0.028710 Density= 0.215451 ETOT(band)= -0.233280 trlgG= -0.292813 logG= -0.028710 TDE= -0.171182 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001563 tlogG= -0.007590 logG= -0.009153 Density= 0.071573 ETOT(band)= -0.077334 trlgG= -0.096127 logG= -0.009153 TDE= -0.056742 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005160 tlogG= -0.024004 logG= -0.029164 Density= 0.216592 ETOT(band)= -0.233291 trlgG= -0.294254 logG= -0.029164 TDE= -0.171609 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.024010 logG= -0.028753 Density= 0.321925 ETOT(band)= -0.351033 trlgG= -0.441196 logG= -0.028753 TDE= -0.171240 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010348 tlogG= -0.047795 logG= -0.058144 Density= 0.324705 ETOT(band)= -0.349841 trlgG= -0.440879 logG= -0.058144 TDE= -0.343058 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022296 logG= -0.027218 Density= 0.214490 ETOT(band)= -0.232399 trlgG= -0.289357 logG= -0.027218 TDE= -0.170181 logGD-logG0= -0.005047 tlogG= -0.023849 logG= -0.028895 Density= 0.215735 ETOT(band)= -0.233709 trlgG= -0.294179 logG= -0.028895 TDE= -0.171127 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001685 tlogG= -0.007118 logG= -0.008803 Density= 0.072304 ETOT(band)= -0.076467 trlgG= -0.094813 logG= -0.008803 TDE= -0.056627 logGD-logG0= -0.005092 tlogG= -0.022443 logG= -0.027535 Density= 0.216597 ETOT(band)= -0.231243 trlgG= -0.288514 logG= -0.027535 TDE= -0.170580 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004989 tlogG= -0.024161 logG= -0.029150 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214981 ETOT(band)= -0.234117 trlgG= -0.294432 logG= -0.029150 TDE= -0.171250 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.023766 logG= -0.028939 Density= 0.216514 ETOT(band)= -0.232989 trlgG= -0.293318 logG= -0.028939 TDE= -0.171441 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023961 logG= -0.029114 Density= 0.216625 ETOT(band)= -0.233187 trlgG= -0.294022 logG= -0.029114 TDE= -0.171582 logGD-logG0= -0.004889 tlogG= -0.023886 logG= -0.028774 Density= 0.214027 ETOT(band)= -0.233960 trlgG= -0.292910 logG= -0.028774 TDE= -0.170807 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010395 tlogG= -0.047244 logG= -0.057639 Density= 0.324486 ETOT(band)= -0.349475 trlgG= -0.439532 logG= -0.057639 TDE= -0.342665 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.024166 logG= -0.029181 Density= 0.322801 ETOT(band)= -0.351145 trlgG= -0.441873 logG= -0.029181 TDE= -0.171245 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.024088 logG= -0.029308 Density= 0.323423 ETOT(band)= -0.351117 trlgG= -0.442523 logG= -0.029308 TDE= -0.171438 logGD-logG0= -0.010632 tlogG= -0.048049 logG= -0.058681 Density= 0.323607 ETOT(band)= -0.350910 trlgG= -0.442220 logG= -0.058681 TDE= -0.343051 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.023249 logG= -0.028003 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004656 tlogG= -0.023372 logG= -0.028027 logGD-logG0= -0.004710 tlogG= -0.024011 logG= -0.028721 Density= 0.214360 ETOT(band)= -0.234036 trlgG= -0.294035 logG= -0.028721 TDE= -0.171245 Density= 0.213734 ETOT(band)= -0.233569 trlgG= -0.292133 logG= -0.028003 TDE= -0.170759 Density= 0.321989 ETOT(band)= -0.349990 trlgG= -0.438624 logG= -0.028027 TDE= -0.170914 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005337 tlogG= -0.023903 logG= -0.029239 logGD-logG0= -0.005288 tlogG= -0.024127 logG= -0.029415 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215884 ETOT(band)= -0.233710 trlgG= -0.294457 logG= -0.029239 TDE= -0.171448 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215959 ETOT(band)= -0.233962 trlgG= -0.295143 logG= -0.029415 TDE= -0.171624 logGD-logG0= -0.005002 tlogG= -0.023248 logG= -0.028250 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322060 ETOT(band)= -0.350493 trlgG= -0.439472 logG= -0.028250 TDE= -0.170868 logGD-logG0= -0.010123 tlogG= -0.045637 logG= -0.055759 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324389 ETOT(band)= -0.347880 trlgG= -0.434832 logG= -0.055759 TDE= -0.341483 logGD-logG0= -0.005321 tlogG= -0.023962 logG= -0.029283 Density= 0.324019 ETOT(band)= -0.350584 trlgG= -0.441966 logG= -0.029283 TDE= -0.171496 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009627 tlogG= -0.046613 logG= -0.056240 logGD-logG0= -0.004890 tlogG= -0.022478 logG= -0.027367 Density= 0.215249 ETOT(band)= -0.231624 trlgG= -0.287959 logG= -0.027367 TDE= -0.170195 logGD-logG0= -0.004805 tlogG= -0.023841 logG= -0.028646 Density= 0.323054 ETOT(band)= -0.348946 trlgG= -0.436267 logG= -0.056240 TDE= -0.341638 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213812 ETOT(band)= -0.234099 trlgG= -0.293647 logG= -0.028646 TDE= -0.171063 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005385 tlogG= -0.023689 logG= -0.029074 Density= 0.215646 ETOT(band)= -0.233563 trlgG= -0.293760 logG= -0.029074 TDE= -0.171270 logGD-logG0= -0.001199 tlogG= -0.005308 logG= -0.006507 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081641 ETOT(band)= -0.085673 trlgG= -0.106179 logG= -0.006507 TDE= -0.042464 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010393 tlogG= -0.046423 logG= -0.056816 Density= 0.324346 ETOT(band)= -0.348820 trlgG= -0.437448 logG= -0.056816 TDE= -0.342108 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.023358 logG= -0.028766 logGD-logG0= -0.008899 tlogG= -0.048104 logG= -0.057004 Density= 0.215343 ETOT(band)= -0.233306 trlgG= -0.292621 logG= -0.028766 TDE= -0.170977 Density= 0.426010 ETOT(band)= -0.468247 trlgG= -0.586276 logG= -0.057004 TDE= -0.341808 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023198 logG= -0.028340 Density= 0.215101 ETOT(band)= -0.232909 trlgG= -0.291128 logG= -0.028340 TDE= -0.170632 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010085 tlogG= -0.048157 logG= -0.058242 Density= 0.429781 ETOT(band)= -0.468167 trlgG= -0.588424 logG= -0.058242 TDE= -0.342341 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009392 tlogG= -0.046721 logG= -0.056113 logGD-logG0= -0.010254 tlogG= -0.047965 logG= -0.058219 Density= 0.428356 ETOT(band)= -0.466042 trlgG= -0.581667 logG= -0.056113 TDE= -0.341248 Density= 0.429685 ETOT(band)= -0.468129 trlgG= -0.588070 logG= -0.058219 TDE= -0.342181 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009446 tlogG= -0.046616 logG= -0.056062 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428567 ETOT(band)= -0.466759 trlgG= -0.584269 logG= -0.056062 TDE= -0.341663 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004883 tlogG= -0.021304 logG= -0.026188 Density= 0.162819 ETOT(band)= -0.172955 trlgG= -0.215851 logG= -0.026188 TDE= -0.169894 logGD-logG0= -0.009582 tlogG= -0.047848 logG= -0.057430 logGD-logG0= -0.010599 tlogG= -0.047737 logG= -0.058335 logGD-logG0= -0.009592 tlogG= -0.047658 logG= -0.057250 Density= 0.427150 ETOT(band)= -0.468271 trlgG= -0.586791 logG= -0.057250 TDE= -0.341826 Density= 0.431228 ETOT(band)= -0.467426 trlgG= -0.588152 logG= -0.058335 TDE= -0.342697 Density= 0.428516 ETOT(band)= -0.468057 trlgG= -0.587656 logG= -0.057430 TDE= -0.342295 logGD-logG0= -0.010219 tlogG= -0.048230 logG= -0.058448 Density= 0.430518 ETOT(band)= -0.468171 trlgG= -0.589192 logG= -0.058448 TDE= -0.342555 logGD-logG0= -0.010699 tlogG= -0.047702 logG= -0.058402 Density= 0.431569 ETOT(band)= -0.467370 trlgG= -0.588512 logG= -0.058402 TDE= -0.342804 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009546 tlogG= -0.047777 logG= -0.057323 logGD-logG0= -0.009758 tlogG= -0.047862 logG= -0.057620 logGD-logG0= -0.010196 tlogG= -0.047677 logG= -0.057872 Density= 0.427652 ETOT(band)= -0.467822 trlgG= -0.585644 logG= -0.057323 TDE= -0.341528 Density= 0.429615 ETOT(band)= -0.467832 trlgG= -0.587627 logG= -0.057620 TDE= -0.342281 Density= 0.428770 ETOT(band)= -0.468040 trlgG= -0.586987 logG= -0.057872 TDE= -0.341935 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009875 tlogG= -0.046409 logG= -0.056284 Density= 0.429995 ETOT(band)= -0.465470 trlgG= -0.581340 logG= -0.056284 TDE= -0.341359 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010429 tlogG= -0.048079 logG= -0.058508 Density= 0.430624 ETOT(band)= -0.468001 trlgG= -0.588864 logG= -0.058508 TDE= -0.342681 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004940 tlogG= -0.022909 logG= -0.027849 logGD-logG0= -0.001181 tlogG= -0.005172 logG= -0.006353 Density= 0.215027 ETOT(band)= -0.232357 trlgG= -0.289601 logG= -0.027849 TDE= -0.170446 logGD-logG0= -0.010259 tlogG= -0.046938 logG= -0.057198 Density= 0.430350 ETOT(band)= -0.466380 trlgG= -0.584032 logG= -0.057198 TDE= -0.341648 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062608 ETOT(band)= -0.067532 trlgG= -0.084182 logG= -0.006353 TDE= -0.042363 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.021354 logG= -0.026320 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009939 tlogG= -0.047568 logG= -0.057506 Density= 0.429082 ETOT(band)= -0.467387 trlgG= -0.586029 logG= -0.057506 TDE= -0.341980 Density= 0.217242 ETOT(band)= -0.229141 trlgG= -0.284197 logG= -0.026320 TDE= -0.169907 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010623 tlogG= -0.048028 logG= -0.058651 Density= 0.431811 ETOT(band)= -0.467651 trlgG= -0.589504 logG= -0.058651 TDE= -0.343069 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010183 tlogG= -0.047578 logG= -0.057761 Density= 0.430484 ETOT(band)= -0.467025 trlgG= -0.585959 logG= -0.057761 TDE= -0.342094 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005469 logG= -0.006687 Density= 0.081284 ETOT(band)= -0.086340 trlgG= -0.107338 logG= -0.006687 TDE= -0.042576 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.022331 logG= -0.027140 Density= 0.323216 ETOT(band)= -0.347918 trlgG= -0.433882 logG= -0.027140 TDE= -0.170262 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009915 tlogG= -0.044629 logG= -0.054545 Density= 0.324627 ETOT(band)= -0.346613 trlgG= -0.431824 logG= -0.054545 TDE= -0.340805 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010658 tlogG= -0.047276 logG= -0.057934 Density= 0.430956 ETOT(band)= -0.467004 trlgG= -0.586682 logG= -0.057934 TDE= -0.342313 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.021883 logG= -0.026938 Density= 0.216852 ETOT(band)= -0.230247 trlgG= -0.286399 logG= -0.026938 TDE= -0.170239 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004924 tlogG= -0.021209 logG= -0.026134 Density= 0.216569 ETOT(band)= -0.230001 trlgG= -0.285453 logG= -0.026134 TDE= -0.169814 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009763 tlogG= -0.044633 logG= -0.054396 Density= 0.432059 ETOT(band)= -0.462003 trlgG= -0.574566 logG= -0.054396 TDE= -0.340444 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.754942696444 eV TrLogG= -407.303350023900 eV Ratio to renormalize= 0.998935105993 rho-rho_expected= 0.023452642728 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964628395808832 0.940358718922473 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001479 tlogG= -0.007810 logG= -0.009288 Density= 0.035529 ETOT(band)= -0.038909 trlgG= -0.048579 logG= -0.009288 TDE= -0.056873 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004299 tlogG= -0.024047 logG= -0.028346 Density= 0.106231 ETOT(band)= -0.117114 trlgG= -0.146702 logG= -0.028346 TDE= -0.170925 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004326 tlogG= -0.023970 logG= -0.028296 Density= 0.106282 ETOT(band)= -0.117071 trlgG= -0.146589 logG= -0.028296 TDE= -0.170887 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004688 tlogG= -0.022985 logG= -0.027673 Density= 0.106981 ETOT(band)= -0.116443 trlgG= -0.145123 logG= -0.027673 TDE= -0.170389 logGD-logG0= -0.004994 tlogG= -0.022403 logG= -0.027396 Density= 0.107741 ETOT(band)= -0.115918 trlgG= -0.144362 logG= -0.027396 TDE= -0.170281 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001684 tlogG= -0.007303 logG= -0.008987 Density= 0.035879 ETOT(band)= -0.038561 trlgG= -0.047883 logG= -0.008987 TDE= -0.056651 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004886 tlogG= -0.021558 logG= -0.026444 Density= 0.108618 ETOT(band)= -0.114836 trlgG= -0.142749 logG= -0.026444 TDE= -0.170054 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004806 tlogG= -0.020983 logG= -0.025789 Density= 0.108812 ETOT(band)= -0.114250 trlgG= -0.141594 logG= -0.025789 TDE= -0.169650 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004547 ETOT(band)= -0.004731 trlgG= -0.005849 logG= -0.001047 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002592 tlogG= -0.012029 logG= -0.014621 Density= 0.053819 ETOT(band)= -0.058509 trlgG= -0.073641 logG= -0.014621 TDE= -0.085652 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002315 tlogG= -0.011881 logG= -0.014196 Density= 0.053617 ETOT(band)= -0.058376 trlgG= -0.073223 logG= -0.014196 TDE= -0.085559 logGD-logG0= -0.002323 tlogG= -0.011445 logG= -0.013768 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053791 ETOT(band)= -0.058047 trlgG= -0.072460 logG= -0.013768 TDE= -0.085310 logGD-logG0= -0.002410 tlogG= -0.012079 logG= -0.014489 Density= 0.053640 ETOT(band)= -0.058520 trlgG= -0.073584 logG= -0.014489 TDE= -0.085639 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.008043 logG= -0.009440 Density= 0.035351 ETOT(band)= -0.039059 trlgG= -0.048943 logG= -0.009440 TDE= -0.056996 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002550 tlogG= -0.011980 logG= -0.014530 Density= 0.054192 ETOT(band)= -0.058272 trlgG= -0.073506 logG= -0.014530 TDE= -0.085792 logGD-logG0= -0.005018 tlogG= -0.022450 logG= -0.027469 Density= 0.108309 ETOT(band)= -0.115691 trlgG= -0.144483 logG= -0.027469 TDE= -0.170610 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023423 logG= -0.028551 Density= 0.108239 ETOT(band)= -0.116333 trlgG= -0.146203 logG= -0.028551 TDE= -0.171213 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023757 logG= -0.028889 Density= 0.108286 ETOT(band)= -0.116494 trlgG= -0.146738 logG= -0.028889 TDE= -0.171434 logGD-logG0= -0.005119 tlogG= -0.023943 logG= -0.029063 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108337 ETOT(band)= -0.116569 trlgG= -0.147016 logG= -0.029063 TDE= -0.171564 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002619 tlogG= -0.011984 logG= -0.014603 Density= 0.054038 ETOT(band)= -0.058393 trlgG= -0.073626 logG= -0.014603 TDE= -0.085764 logGD-logG0= -0.004522 tlogG= -0.024041 logG= -0.028563 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106502 ETOT(band)= -0.117102 trlgG= -0.146711 logG= -0.028563 TDE= -0.170850 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023678 logG= -0.028944 Density= 0.107343 ETOT(band)= -0.116953 trlgG= -0.146759 logG= -0.028944 TDE= -0.170934 logGD-logG0= -0.005086 tlogG= -0.022976 logG= -0.028062 Density= 0.108242 ETOT(band)= -0.116063 trlgG= -0.145429 logG= -0.028062 TDE= -0.170931 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023639 logG= -0.028615 Density= 0.107090 ETOT(band)= -0.116881 trlgG= -0.146209 logG= -0.028615 TDE= -0.170588 logGD-logG0= -0.004601 tlogG= -0.023201 logG= -0.027802 Density= 0.106846 ETOT(band)= -0.116574 trlgG= -0.145385 logG= -0.027802 TDE= -0.170456 logGD-logG0= -0.004936 tlogG= -0.022163 logG= -0.027099 Density= 0.108464 ETOT(band)= -0.115386 trlgG= -0.143876 logG= -0.027099 TDE= -0.170450 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024066 logG= -0.029324 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107754 ETOT(band)= -0.117019 trlgG= -0.147428 logG= -0.029324 TDE= -0.171426 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.024080 logG= -0.029349 logGD-logG0= -0.005091 tlogG= -0.022870 logG= -0.027961 Density= 0.107998 ETOT(band)= -0.116927 trlgG= -0.147493 logG= -0.029349 TDE= -0.171586 Density= 0.107724 ETOT(band)= -0.116250 trlgG= -0.145256 logG= -0.027961 TDE= -0.170602 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004973 tlogG= -0.024087 logG= -0.029060 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107491 ETOT(band)= -0.116983 trlgG= -0.147051 logG= -0.029060 TDE= -0.171183 logGD-logG0= -0.005109 tlogG= -0.023598 logG= -0.028708 logGD-logG0= -0.004881 tlogG= -0.023889 logG= -0.028770 logGD-logG0= -0.004688 tlogG= -0.023681 logG= -0.028369 Density= 0.108311 ETOT(band)= -0.116379 trlgG= -0.146447 logG= -0.028708 TDE= -0.171337 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106870 ETOT(band)= -0.117063 trlgG= -0.146822 logG= -0.028770 TDE= -0.170937 Density= 0.107087 ETOT(band)= -0.116793 trlgG= -0.146401 logG= -0.028369 TDE= -0.171024 logGD-logG0= -0.004860 tlogG= -0.024063 logG= -0.028923 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.023209 logG= -0.028288 Density= 0.108301 ETOT(band)= -0.116156 trlgG= -0.145784 logG= -0.028288 TDE= -0.171090 Density= 0.107169 ETOT(band)= -0.117045 trlgG= -0.147077 logG= -0.028923 TDE= -0.171186 logGD-logG0= -0.005302 tlogG= -0.024126 logG= -0.029428 logGD-logG0= -0.005107 tlogG= -0.023864 logG= -0.028971 Density= 0.107922 ETOT(band)= -0.117015 trlgG= -0.147617 logG= -0.029428 TDE= -0.171594 logGD-logG0= -0.004845 tlogG= -0.022844 logG= -0.027689 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108357 ETOT(band)= -0.116505 trlgG= -0.146868 logG= -0.028971 TDE= -0.171517 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023961 logG= -0.029170 Density= 0.107556 ETOT(band)= -0.117005 trlgG= -0.147155 logG= -0.029170 TDE= -0.171208 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107855 ETOT(band)= -0.116046 trlgG= -0.144846 logG= -0.027689 TDE= -0.170529 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023897 logG= -0.029188 Density= 0.107862 ETOT(band)= -0.116886 trlgG= -0.147214 logG= -0.029188 TDE= -0.171401 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023683 logG= -0.028493 logGD-logG0= -0.005014 tlogG= -0.022727 logG= -0.027741 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004658 tlogG= -0.023664 logG= -0.028322 Density= 0.106710 ETOT(band)= -0.116909 trlgG= -0.146296 logG= -0.028322 TDE= -0.170779 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108355 ETOT(band)= -0.115827 trlgG= -0.144918 logG= -0.027741 TDE= -0.170797 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107489 ETOT(band)= -0.116674 trlgG= -0.146311 logG= -0.028493 TDE= -0.171009 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004713 tlogG= -0.023496 logG= -0.028208 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106884 ETOT(band)= -0.116763 trlgG= -0.145868 logG= -0.028208 TDE= -0.170552 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.023191 logG= -0.028473 Density= 0.107792 ETOT(band)= -0.116497 trlgG= -0.146065 logG= -0.028473 TDE= -0.170933 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023863 logG= -0.029119 logGD-logG0= -0.004722 tlogG= -0.022846 logG= -0.027568 Density= 0.108025 ETOT(band)= -0.116755 trlgG= -0.147109 logG= -0.029119 TDE= -0.171446 Density= 0.107405 ETOT(band)= -0.116190 trlgG= -0.144972 logG= -0.027568 TDE= -0.170553 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009433 tlogG= -0.045749 logG= -0.055183 logGD-logG0= -0.009743 tlogG= -0.048233 logG= -0.057975 Density= 0.215234 ETOT(band)= -0.232215 trlgG= -0.289845 logG= -0.055183 TDE= -0.341171 Density= 0.214627 ETOT(band)= -0.234048 trlgG= -0.294228 logG= -0.057975 TDE= -0.342461 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009888 tlogG= -0.047889 logG= -0.057777 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009610 tlogG= -0.047148 logG= -0.056758 logGD-logG0= -0.005245 tlogG= -0.024051 logG= -0.029296 Density= 0.213991 ETOT(band)= -0.233643 trlgG= -0.292654 logG= -0.056758 TDE= -0.341790 Density= 0.214195 ETOT(band)= -0.234086 trlgG= -0.293916 logG= -0.057777 TDE= -0.342133 Density= 0.108057 ETOT(band)= -0.116860 trlgG= -0.147405 logG= -0.029296 TDE= -0.171581 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009712 tlogG= -0.045579 logG= -0.055292 Density= 0.214581 ETOT(band)= -0.232564 trlgG= -0.290022 logG= -0.055292 TDE= -0.340916 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009064 tlogG= -0.047622 logG= -0.056687 Density= 0.213151 ETOT(band)= -0.233941 trlgG= -0.292726 logG= -0.056687 TDE= -0.341517 logGD-logG0= -0.009492 tlogG= -0.047923 logG= -0.057415 Density= 0.213500 ETOT(band)= -0.234149 trlgG= -0.293367 logG= -0.057415 TDE= -0.341602 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009767 tlogG= -0.047147 logG= -0.056914 Density= 0.214002 ETOT(band)= -0.233687 trlgG= -0.292446 logG= -0.056914 TDE= -0.341431 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.047736 logG= -0.058201 Density= 0.214982 ETOT(band)= -0.233973 trlgG= -0.294062 logG= -0.058201 TDE= -0.342245 logGD-logG0= -0.010420 tlogG= -0.048071 logG= -0.058490 Density= 0.215295 ETOT(band)= -0.234027 trlgG= -0.294573 logG= -0.058490 TDE= -0.342621 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.023573 logG= -0.028866 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107910 ETOT(band)= -0.116658 trlgG= -0.146694 logG= -0.028866 TDE= -0.171227 logGD-logG0= -0.010127 tlogG= -0.047651 logG= -0.057778 logGD-logG0= -0.010329 tlogG= -0.047776 logG= -0.058105 Density= 0.214881 ETOT(band)= -0.233966 trlgG= -0.293893 logG= -0.058105 TDE= -0.342122 logGD-logG0= -0.009817 tlogG= -0.045639 logG= -0.055456 logGD-logG0= -0.009383 tlogG= -0.047436 logG= -0.056819 Density= 0.215366 ETOT(band)= -0.232290 trlgG= -0.289837 logG= -0.055456 TDE= -0.340955 Density= 0.214534 ETOT(band)= -0.233474 trlgG= -0.292786 logG= -0.056819 TDE= -0.342129 Density= 0.214176 ETOT(band)= -0.234073 trlgG= -0.293668 logG= -0.057778 TDE= -0.341875 logGD-logG0= -0.010268 tlogG= -0.047969 logG= -0.058237 Density= 0.215298 ETOT(band)= -0.233882 trlgG= -0.294157 logG= -0.058237 TDE= -0.342460 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.048005 logG= -0.058505 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001619 tlogG= -0.006989 logG= -0.008608 Density= 0.036230 ETOT(band)= -0.038113 trlgG= -0.047223 logG= -0.008608 TDE= -0.056544 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215332 ETOT(band)= -0.234018 trlgG= -0.294600 logG= -0.058505 TDE= -0.342652 logGD-logG0= -0.010012 tlogG= -0.048018 logG= -0.058030 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002395 tlogG= -0.010423 logG= -0.012817 Density= 0.054429 ETOT(band)= -0.057052 trlgG= -0.070657 logG= -0.012817 TDE= -0.084774 logGD-logG0= -0.010488 tlogG= -0.047928 logG= -0.058415 Density= 0.214757 ETOT(band)= -0.233995 trlgG= -0.293978 logG= -0.058030 TDE= -0.342220 Density= 0.216117 ETOT(band)= -0.233593 trlgG= -0.294511 logG= -0.058415 TDE= -0.343041 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002454 tlogG= -0.010838 logG= -0.013292 logGD-logG0= -0.010129 tlogG= -0.046402 logG= -0.056531 Density= 0.215435 ETOT(band)= -0.232850 trlgG= -0.291466 logG= -0.056531 TDE= -0.341543 Density= 0.054115 ETOT(band)= -0.057569 trlgG= -0.071503 logG= -0.013292 TDE= -0.084989 logGD-logG0= -0.010354 tlogG= -0.047300 logG= -0.057654 Density= 0.214487 ETOT(band)= -0.233867 trlgG= -0.293145 logG= -0.057654 TDE= -0.341630 logGD-logG0= -0.010613 tlogG= -0.048136 logG= -0.058749 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215648 ETOT(band)= -0.234043 trlgG= -0.295037 logG= -0.058749 TDE= -0.343002 logGD-logG0= -0.010562 tlogG= -0.047515 logG= -0.058077 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215921 ETOT(band)= -0.233476 trlgG= -0.293948 logG= -0.058077 TDE= -0.342720 logGD-logG0= -0.010542 tlogG= -0.047876 logG= -0.058418 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047412 logG= -0.057936 Density= 0.215690 ETOT(band)= -0.233516 trlgG= -0.293707 logG= -0.057936 TDE= -0.342506 Density= 0.215990 ETOT(band)= -0.233664 trlgG= -0.294512 logG= -0.058418 TDE= -0.342976 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009738 tlogG= -0.047214 logG= -0.056951 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214700 ETOT(band)= -0.233436 trlgG= -0.292559 logG= -0.056951 TDE= -0.341852 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010039 tlogG= -0.047142 logG= -0.057181 Density= 0.215372 ETOT(band)= -0.233250 trlgG= -0.292481 logG= -0.057181 TDE= -0.341877 logGD-logG0= -0.010567 tlogG= -0.046869 logG= -0.057436 Density= 0.215650 ETOT(band)= -0.233240 trlgG= -0.292908 logG= -0.057436 TDE= -0.342186 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.021868 logG= -0.026840 Density= 0.108428 ETOT(band)= -0.115202 trlgG= -0.143428 logG= -0.026840 TDE= -0.170243 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005051 tlogG= -0.021812 logG= -0.026863 Density= 0.107894 ETOT(band)= -0.115491 trlgG= -0.143488 logG= -0.026863 TDE= -0.170017 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009978 tlogG= -0.043379 logG= -0.053356 logGD-logG0= -0.004992 tlogG= -0.021689 logG= -0.026681 Density= 0.108036 ETOT(band)= -0.115299 trlgG= -0.143179 logG= -0.026681 TDE= -0.169961 Density= 0.216487 ETOT(band)= -0.230387 trlgG= -0.286335 logG= -0.053356 TDE= -0.340107 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001424 tlogG= -0.007964 logG= -0.009388 Density= 0.070941 ETOT(band)= -0.077919 trlgG= -0.097401 logG= -0.009388 TDE= -0.056957 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004273 tlogG= -0.024127 logG= -0.028399 Density= 0.212400 ETOT(band)= -0.234278 trlgG= -0.293527 logG= -0.028399 TDE= -0.170964 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004462 tlogG= -0.023582 logG= -0.028044 Density= 0.212844 ETOT(band)= -0.233899 trlgG= -0.292582 logG= -0.028044 TDE= -0.170681 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.022901 logG= -0.027843 Density= 0.215014 ETOT(band)= -0.232313 trlgG= -0.289537 logG= -0.027843 TDE= -0.170417 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022287 logG= -0.027211 Density= 0.214478 ETOT(band)= -0.232354 trlgG= -0.289292 logG= -0.027211 TDE= -0.170153 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001564 tlogG= -0.007587 logG= -0.009151 Density= 0.071569 ETOT(band)= -0.077319 trlgG= -0.096106 logG= -0.009151 TDE= -0.056733 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.021873 logG= -0.026932 Density= 0.216837 ETOT(band)= -0.230205 trlgG= -0.286340 logG= -0.026932 TDE= -0.170212 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004970 tlogG= -0.021344 logG= -0.026315 Density= 0.217227 ETOT(band)= -0.229100 trlgG= -0.284139 logG= -0.026315 TDE= -0.169880 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005937 logG= -0.007209 Density= 0.080915 ETOT(band)= -0.087613 trlgG= -0.110304 logG= -0.007209 TDE= -0.042862 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005854 logG= -0.007121 Density= 0.080732 ETOT(band)= -0.087577 trlgG= -0.110107 logG= -0.007121 TDE= -0.042808 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001232 tlogG= -0.005618 logG= -0.006850 Density= 0.080918 ETOT(band)= -0.086936 trlgG= -0.108552 logG= -0.006850 TDE= -0.042666 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005746 logG= -0.006999 Density= 0.080719 ETOT(band)= -0.087363 trlgG= -0.109553 logG= -0.006999 TDE= -0.042743 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005982 logG= -0.007252 Density= 0.081143 ETOT(band)= -0.087516 trlgG= -0.110358 logG= -0.007252 TDE= -0.042892 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023994 logG= -0.029195 Density= 0.215908 ETOT(band)= -0.233764 trlgG= -0.294665 logG= -0.029195 TDE= -0.171562 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023792 logG= -0.029027 Density= 0.215557 ETOT(band)= -0.233670 trlgG= -0.294011 logG= -0.029027 TDE= -0.171410 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023993 logG= -0.029157 Density= 0.216574 ETOT(band)= -0.233249 trlgG= -0.294193 logG= -0.029157 TDE= -0.171580 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023477 logG= -0.028704 Density= 0.215436 ETOT(band)= -0.233236 trlgG= -0.292750 logG= -0.028704 TDE= -0.171153 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004746 tlogG= -0.024000 logG= -0.028747 Density= 0.321904 ETOT(band)= -0.350966 trlgG= -0.441099 logG= -0.028747 TDE= -0.171211 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.024115 logG= -0.029408 logGD-logG0= -0.005052 tlogG= -0.023951 logG= -0.029003 Density= 0.214565 ETOT(band)= -0.234000 trlgG= -0.293752 logG= -0.029003 TDE= -0.171049 Density= 0.215942 ETOT(band)= -0.233919 trlgG= -0.295080 logG= -0.029408 TDE= -0.171594 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.022433 logG= -0.027529 logGD-logG0= -0.005049 tlogG= -0.023840 logG= -0.028889 Density= 0.216582 ETOT(band)= -0.231200 trlgG= -0.288454 logG= -0.027529 TDE= -0.170552 Density= 0.215718 ETOT(band)= -0.233666 trlgG= -0.294115 logG= -0.028889 TDE= -0.171098 logGD-logG0= -0.004407 tlogG= -0.023735 logG= -0.028142 Density= 0.213310 ETOT(band)= -0.233494 trlgG= -0.291609 logG= -0.028142 TDE= -0.170766 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.024157 logG= -0.029174 Density= 0.322778 ETOT(band)= -0.351079 trlgG= -0.441776 logG= -0.029174 TDE= -0.171217 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.023878 logG= -0.028768 Density= 0.214013 ETOT(band)= -0.233914 trlgG= -0.292844 logG= -0.028768 TDE= -0.170778 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023408 logG= -0.028593 Density= 0.216415 ETOT(band)= -0.232568 trlgG= -0.292050 logG= -0.028593 TDE= -0.171173 logGD-logG0= -0.010359 tlogG= -0.047772 logG= -0.058132 Density= 0.324679 ETOT(band)= -0.349778 trlgG= -0.440787 logG= -0.058132 TDE= -0.342999 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.024151 logG= -0.029143 logGD-logG0= -0.010128 tlogG= -0.045619 logG= -0.055747 Density= 0.214966 ETOT(band)= -0.234073 trlgG= -0.294367 logG= -0.029143 TDE= -0.171221 Density= 0.324367 ETOT(band)= -0.347816 trlgG= -0.434740 logG= -0.055747 TDE= -0.341426 logGD-logG0= -0.005178 tlogG= -0.023755 logG= -0.028933 Density= 0.216496 ETOT(band)= -0.232947 trlgG= -0.293256 logG= -0.028933 TDE= -0.171412 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.023239 logG= -0.028244 Density= 0.322039 ETOT(band)= -0.350426 trlgG= -0.439375 logG= -0.028244 TDE= -0.170839 logGD-logG0= -0.005158 tlogG= -0.023949 logG= -0.029108 Density= 0.216607 ETOT(band)= -0.233145 trlgG= -0.293961 logG= -0.029108 TDE= -0.171553 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004714 tlogG= -0.024001 logG= -0.028715 Density= 0.214346 ETOT(band)= -0.233991 trlgG= -0.293970 logG= -0.028715 TDE= -0.171216 logGD-logG0= -0.010640 tlogG= -0.048028 logG= -0.058668 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023891 logG= -0.029233 Density= 0.215867 ETOT(band)= -0.233667 trlgG= -0.294394 logG= -0.029233 TDE= -0.171418 Density= 0.323582 ETOT(band)= -0.350845 trlgG= -0.442124 logG= -0.058668 TDE= -0.342992 logGD-logG0= -0.004576 tlogG= -0.023886 logG= -0.028461 Density= 0.213506 ETOT(band)= -0.233768 trlgG= -0.292337 logG= -0.028461 TDE= -0.170769 logGD-logG0= -0.001182 tlogG= -0.005170 logG= -0.006351 Density= 0.062604 ETOT(band)= -0.067519 trlgG= -0.084164 logG= -0.006351 TDE= -0.042356 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010405 tlogG= -0.047222 logG= -0.057627 logGD-logG0= -0.005157 tlogG= -0.022961 logG= -0.028118 Density= 0.216440 ETOT(band)= -0.231996 trlgG= -0.290436 logG= -0.028118 TDE= -0.170886 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324460 ETOT(band)= -0.349412 trlgG= -0.439440 logG= -0.057627 TDE= -0.342607 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.023831 logG= -0.028639 Density= 0.213800 ETOT(band)= -0.234052 trlgG= -0.293580 logG= -0.028639 TDE= -0.171034 logGD-logG0= -0.001575 tlogG= -0.006872 logG= -0.008447 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040886 ETOT(band)= -0.042659 trlgG= -0.052772 logG= -0.008447 TDE= -0.056458 logGD-logG0= -0.005143 tlogG= -0.023190 logG= -0.028333 logGD-logG0= -0.010403 tlogG= -0.046401 logG= -0.056804 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215087 ETOT(band)= -0.232864 trlgG= -0.291064 logG= -0.028333 TDE= -0.170603 logGD-logG0= -0.009633 tlogG= -0.046594 logG= -0.056227 Density= 0.323033 ETOT(band)= -0.348880 trlgG= -0.436173 logG= -0.056227 TDE= -0.341581 logGD-logG0= -0.004758 tlogG= -0.023239 logG= -0.027997 Density= 0.213722 ETOT(band)= -0.233522 trlgG= -0.292067 logG= -0.027997 TDE= -0.170730 Density= 0.324322 ETOT(band)= -0.348757 trlgG= -0.437356 logG= -0.056804 TDE= -0.342050 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004659 tlogG= -0.023362 logG= -0.028021 Density= 0.321969 ETOT(band)= -0.349922 trlgG= -0.438528 logG= -0.028021 TDE= -0.170886 logGD-logG0= -0.005327 tlogG= -0.023950 logG= -0.029277 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323993 ETOT(band)= -0.350520 trlgG= -0.441872 logG= -0.029277 TDE= -0.171466 logGD-logG0= -0.005223 tlogG= -0.024079 logG= -0.029301 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323398 ETOT(band)= -0.351052 trlgG= -0.442426 logG= -0.029301 TDE= -0.171408 logGD-logG0= -0.004627 tlogG= -0.023365 logG= -0.027992 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214406 ETOT(band)= -0.233281 trlgG= -0.292180 logG= -0.027992 TDE= -0.170894 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023350 logG= -0.028759 Density= 0.215328 ETOT(band)= -0.233262 trlgG= -0.292557 logG= -0.028759 TDE= -0.170947 logGD-logG0= -0.009588 tlogG= -0.047828 logG= -0.057416 Density= 0.428489 ETOT(band)= -0.467965 trlgG= -0.587525 logG= -0.057416 TDE= -0.342236 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023968 logG= -0.028518 logGD-logG0= -0.008903 tlogG= -0.048087 logG= -0.056989 Density= 0.213036 ETOT(band)= -0.234175 trlgG= -0.293328 logG= -0.028518 TDE= -0.170817 Density= 0.425988 ETOT(band)= -0.468151 trlgG= -0.586144 logG= -0.056989 TDE= -0.341751 logGD-logG0= -0.009395 tlogG= -0.046704 logG= -0.056100 Density= 0.428332 ETOT(band)= -0.465950 trlgG= -0.581537 logG= -0.056100 TDE= -0.341190 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.021295 logG= -0.026182 Density= 0.162806 ETOT(band)= -0.172924 trlgG= -0.215807 logG= -0.026182 TDE= -0.169866 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010091 tlogG= -0.048137 logG= -0.058228 Density= 0.429751 ETOT(band)= -0.468078 trlgG= -0.588295 logG= -0.058228 TDE= -0.342283 logGD-logG0= -0.010260 tlogG= -0.047946 logG= -0.058205 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009453 tlogG= -0.046596 logG= -0.056049 Density= 0.428541 ETOT(band)= -0.466668 trlgG= -0.584139 logG= -0.056049 TDE= -0.341606 Density= 0.429654 ETOT(band)= -0.468040 trlgG= -0.587939 logG= -0.058205 TDE= -0.342121 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009594 tlogG= -0.047642 logG= -0.057236 Density= 0.427126 ETOT(band)= -0.468177 trlgG= -0.586657 logG= -0.057236 TDE= -0.341768 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009548 tlogG= -0.047761 logG= -0.057309 logGD-logG0= -0.010434 tlogG= -0.048060 logG= -0.058495 Density= 0.427627 ETOT(band)= -0.467729 trlgG= -0.585512 logG= -0.057309 TDE= -0.341470 logGD-logG0= -0.010224 tlogG= -0.048211 logG= -0.058435 Density= 0.430592 ETOT(band)= -0.467913 trlgG= -0.588734 logG= -0.058495 TDE= -0.342621 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430486 ETOT(band)= -0.468083 trlgG= -0.589061 logG= -0.058435 TDE= -0.342496 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047658 logG= -0.057859 Density= 0.428742 ETOT(band)= -0.467949 trlgG= -0.586857 logG= -0.057859 TDE= -0.341877 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010603 tlogG= -0.047719 logG= -0.058322 Density= 0.431196 ETOT(band)= -0.467339 trlgG= -0.588024 logG= -0.058322 TDE= -0.342638 logGD-logG0= -0.009764 tlogG= -0.047842 logG= -0.057607 Density= 0.429585 ETOT(band)= -0.467743 trlgG= -0.587500 logG= -0.057607 TDE= -0.342223 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010265 tlogG= -0.046920 logG= -0.057185 Density= 0.430321 ETOT(band)= -0.466292 trlgG= -0.583903 logG= -0.057185 TDE= -0.341589 logGD-logG0= -0.009882 tlogG= -0.046389 logG= -0.056271 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429968 ETOT(band)= -0.465380 trlgG= -0.581213 logG= -0.056271 TDE= -0.341302 logGD-logG0= -0.010710 tlogG= -0.047679 logG= -0.058389 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431536 ETOT(band)= -0.467284 trlgG= -0.588385 logG= -0.058389 TDE= -0.342745 logGD-logG0= -0.010634 tlogG= -0.048004 logG= -0.058638 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431777 ETOT(band)= -0.467565 trlgG= -0.589377 logG= -0.058638 TDE= -0.343010 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009945 tlogG= -0.047548 logG= -0.057493 Density= 0.429055 ETOT(band)= -0.467296 trlgG= -0.585901 logG= -0.057493 TDE= -0.341922 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010188 tlogG= -0.047559 logG= -0.057748 Density= 0.430454 ETOT(band)= -0.466937 trlgG= -0.585830 logG= -0.057748 TDE= -0.342034 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.023677 logG= -0.029067 Density= 0.215630 ETOT(band)= -0.233519 trlgG= -0.293696 logG= -0.029067 TDE= -0.171241 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004812 tlogG= -0.022322 logG= -0.027134 Density= 0.323196 ETOT(band)= -0.347852 trlgG= -0.433788 logG= -0.027134 TDE= -0.170234 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001200 tlogG= -0.005305 logG= -0.006506 Density= 0.081635 ETOT(band)= -0.085658 trlgG= -0.106157 logG= -0.006506 TDE= -0.042457 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010663 tlogG= -0.047258 logG= -0.057921 Density= 0.430924 ETOT(band)= -0.466917 trlgG= -0.586554 logG= -0.057921 TDE= -0.342254 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005466 logG= -0.006686 Density= 0.081279 ETOT(band)= -0.086324 trlgG= -0.107315 logG= -0.006686 TDE= -0.042569 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009921 tlogG= -0.044611 logG= -0.054533 Density= 0.324605 ETOT(band)= -0.346549 trlgG= -0.431734 logG= -0.054533 TDE= -0.340749 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001686 tlogG= -0.007115 logG= -0.008801 Density= 0.072299 ETOT(band)= -0.076453 trlgG= -0.094794 logG= -0.008801 TDE= -0.056618 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004892 tlogG= -0.022469 logG= -0.027361 Density= 0.215237 ETOT(band)= -0.231579 trlgG= -0.287897 logG= -0.027361 TDE= -0.170166 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004772 tlogG= -0.022321 logG= -0.027093 Density= 0.215244 ETOT(band)= -0.231867 trlgG= -0.288940 logG= -0.027093 TDE= -0.170239 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.021199 logG= -0.026128 Density= 0.216554 ETOT(band)= -0.229959 trlgG= -0.285394 logG= -0.026128 TDE= -0.169786 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009770 tlogG= -0.044614 logG= -0.054384 Density= 0.432031 ETOT(band)= -0.461917 trlgG= -0.574444 logG= -0.054384 TDE= -0.340387 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.693267382803 eV TrLogG= -407.204614071435 eV Ratio to renormalize= 0.999002745554 rho-rho_expected= 0.021961499021 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964617616047598 0.940344441664111 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004547 ETOT(band)= -0.004731 trlgG= -0.005849 logG= -0.001047 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.008043 logG= -0.009440 Density= 0.035351 ETOT(band)= -0.039059 trlgG= -0.048942 logG= -0.009440 TDE= -0.056996 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004689 tlogG= -0.022985 logG= -0.027673 Density= 0.106981 ETOT(band)= -0.116442 trlgG= -0.145122 logG= -0.027673 TDE= -0.170388 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.022402 logG= -0.027396 Density= 0.107741 ETOT(band)= -0.115917 trlgG= -0.144361 logG= -0.027396 TDE= -0.170280 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004713 tlogG= -0.023495 logG= -0.028208 Density= 0.106884 ETOT(band)= -0.116763 trlgG= -0.145867 logG= -0.028208 TDE= -0.170551 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001619 tlogG= -0.006989 logG= -0.008608 Density= 0.036230 ETOT(band)= -0.038113 trlgG= -0.047223 logG= -0.008608 TDE= -0.056543 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004806 tlogG= -0.020982 logG= -0.025789 Density= 0.108812 ETOT(band)= -0.114249 trlgG= -0.141593 logG= -0.025789 TDE= -0.169649 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005051 tlogG= -0.021812 logG= -0.026863 Density= 0.107894 ETOT(band)= -0.115490 trlgG= -0.143487 logG= -0.026863 TDE= -0.170016 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002592 tlogG= -0.012029 logG= -0.014621 Density= 0.053818 ETOT(band)= -0.058509 trlgG= -0.073641 logG= -0.014621 TDE= -0.085651 logGD-logG0= -0.002315 tlogG= -0.011880 logG= -0.014196 Density= 0.053617 ETOT(band)= -0.058376 trlgG= -0.073222 logG= -0.014196 TDE= -0.085559 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002323 tlogG= -0.011445 logG= -0.013768 Density= 0.053790 ETOT(band)= -0.058047 trlgG= -0.072459 logG= -0.013768 TDE= -0.085310 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001479 tlogG= -0.007810 logG= -0.009288 Density= 0.035529 ETOT(band)= -0.038909 trlgG= -0.048579 logG= -0.009288 TDE= -0.056872 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002410 tlogG= -0.012079 logG= -0.014489 Density= 0.053640 ETOT(band)= -0.058520 trlgG= -0.073583 logG= -0.014489 TDE= -0.085638 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005120 tlogG= -0.023943 logG= -0.029062 Density= 0.108337 ETOT(band)= -0.116568 trlgG= -0.147015 logG= -0.029062 TDE= -0.171563 logGD-logG0= -0.002550 tlogG= -0.011980 logG= -0.014530 Density= 0.054191 ETOT(band)= -0.058272 trlgG= -0.073506 logG= -0.014530 TDE= -0.085792 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023756 logG= -0.028889 Density= 0.108286 ETOT(band)= -0.116494 trlgG= -0.146737 logG= -0.028889 TDE= -0.171433 logGD-logG0= -0.004299 tlogG= -0.024046 logG= -0.028345 Density= 0.106231 ETOT(band)= -0.117113 trlgG= -0.146701 logG= -0.028345 TDE= -0.170924 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024065 logG= -0.029324 Density= 0.107754 ETOT(band)= -0.117018 trlgG= -0.147427 logG= -0.029324 TDE= -0.171425 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.022163 logG= -0.027099 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.022450 logG= -0.027469 Density= 0.108463 ETOT(band)= -0.115385 trlgG= -0.143875 logG= -0.027099 TDE= -0.170449 logGD-logG0= -0.005128 tlogG= -0.023423 logG= -0.028551 Density= 0.108309 ETOT(band)= -0.115690 trlgG= -0.144482 logG= -0.027469 TDE= -0.170609 Density= 0.108238 ETOT(band)= -0.116332 trlgG= -0.146202 logG= -0.028551 TDE= -0.171212 logGD-logG0= -0.004326 tlogG= -0.023969 logG= -0.028295 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.022975 logG= -0.028061 Density= 0.108242 ETOT(band)= -0.116062 trlgG= -0.145428 logG= -0.028061 TDE= -0.170930 Density= 0.106282 ETOT(band)= -0.117070 trlgG= -0.146588 logG= -0.028295 TDE= -0.170886 logGD-logG0= -0.004522 tlogG= -0.024041 logG= -0.028563 Density= 0.106502 ETOT(band)= -0.117101 trlgG= -0.146710 logG= -0.028563 TDE= -0.170849 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004602 tlogG= -0.023200 logG= -0.027802 logGD-logG0= -0.002619 tlogG= -0.011984 logG= -0.014603 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106846 ETOT(band)= -0.116573 trlgG= -0.145384 logG= -0.027802 TDE= -0.170455 Density= 0.054037 ETOT(band)= -0.058392 trlgG= -0.073626 logG= -0.014603 TDE= -0.085763 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023896 logG= -0.029188 Density= 0.107862 ETOT(band)= -0.116885 trlgG= -0.147213 logG= -0.029188 TDE= -0.171400 logGD-logG0= -0.005209 tlogG= -0.023961 logG= -0.029170 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023678 logG= -0.028944 logGD-logG0= -0.004976 tlogG= -0.023639 logG= -0.028615 Density= 0.107090 ETOT(band)= -0.116880 trlgG= -0.146208 logG= -0.028615 TDE= -0.170587 Density= 0.107555 ETOT(band)= -0.117004 trlgG= -0.147154 logG= -0.029170 TDE= -0.171207 Density= 0.107343 ETOT(band)= -0.116952 trlgG= -0.146758 logG= -0.028944 TDE= -0.170933 logGD-logG0= -0.005014 tlogG= -0.022727 logG= -0.027741 logGD-logG0= -0.004658 tlogG= -0.023664 logG= -0.028322 Density= 0.106710 ETOT(band)= -0.116908 trlgG= -0.146295 logG= -0.028322 TDE= -0.170778 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.024126 logG= -0.029428 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107922 ETOT(band)= -0.117014 trlgG= -0.147616 logG= -0.029428 TDE= -0.171593 logGD-logG0= -0.005107 tlogG= -0.023864 logG= -0.028971 Density= 0.108357 ETOT(band)= -0.116504 trlgG= -0.146867 logG= -0.028971 TDE= -0.171516 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023598 logG= -0.028707 Density= 0.108311 ETOT(band)= -0.116378 trlgG= -0.146446 logG= -0.028707 TDE= -0.171336 Density= 0.108354 ETOT(band)= -0.115827 trlgG= -0.144917 logG= -0.027741 TDE= -0.170796 logGD-logG0= -0.005079 tlogG= -0.023209 logG= -0.028287 Density= 0.108301 ETOT(band)= -0.116155 trlgG= -0.145783 logG= -0.028287 TDE= -0.171089 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.024080 logG= -0.029349 Density= 0.107998 ETOT(band)= -0.116927 trlgG= -0.147492 logG= -0.029349 TDE= -0.171585 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023682 logG= -0.028492 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107489 ETOT(band)= -0.116673 trlgG= -0.146310 logG= -0.028492 TDE= -0.171008 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004688 tlogG= -0.023680 logG= -0.028369 logGD-logG0= -0.004860 tlogG= -0.024063 logG= -0.028923 Density= 0.107169 ETOT(band)= -0.117044 trlgG= -0.147076 logG= -0.028923 TDE= -0.171185 logGD-logG0= -0.004881 tlogG= -0.023888 logG= -0.028769 Density= 0.107087 ETOT(band)= -0.116792 trlgG= -0.146400 logG= -0.028369 TDE= -0.171023 logGD-logG0= -0.004845 tlogG= -0.022844 logG= -0.027689 Density= 0.106870 ETOT(band)= -0.117062 trlgG= -0.146821 logG= -0.028769 TDE= -0.170936 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107855 ETOT(band)= -0.116045 trlgG= -0.144845 logG= -0.027689 TDE= -0.170528 logGD-logG0= -0.004973 tlogG= -0.024087 logG= -0.029060 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107491 ETOT(band)= -0.116983 trlgG= -0.147050 logG= -0.029060 TDE= -0.171182 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.022846 logG= -0.027568 logGD-logG0= -0.005092 tlogG= -0.022869 logG= -0.027961 Density= 0.107724 ETOT(band)= -0.116249 trlgG= -0.145255 logG= -0.027961 TDE= -0.170601 Density= 0.107405 ETOT(band)= -0.116190 trlgG= -0.144971 logG= -0.027568 TDE= -0.170552 logGD-logG0= -0.005282 tlogG= -0.023190 logG= -0.028473 Density= 0.107792 ETOT(band)= -0.116497 trlgG= -0.146064 logG= -0.028473 TDE= -0.170932 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023863 logG= -0.029119 Density= 0.108025 ETOT(band)= -0.116754 trlgG= -0.147108 logG= -0.029119 TDE= -0.171445 logGD-logG0= -0.005245 tlogG= -0.024051 logG= -0.029296 Density= 0.108057 ETOT(band)= -0.116860 trlgG= -0.147404 logG= -0.029296 TDE= -0.171580 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009434 tlogG= -0.045749 logG= -0.055182 logGD-logG0= -0.009743 tlogG= -0.048232 logG= -0.057975 Density= 0.214626 ETOT(band)= -0.234046 trlgG= -0.294226 logG= -0.057975 TDE= -0.342459 logGD-logG0= -0.009888 tlogG= -0.047888 logG= -0.057777 Density= 0.215234 ETOT(band)= -0.232213 trlgG= -0.289843 logG= -0.055182 TDE= -0.341169 Density= 0.214195 ETOT(band)= -0.234084 trlgG= -0.293914 logG= -0.057777 TDE= -0.342131 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009064 tlogG= -0.047622 logG= -0.056686 Density= 0.213151 ETOT(band)= -0.233940 trlgG= -0.292724 logG= -0.056686 TDE= -0.341515 logGD-logG0= -0.009767 tlogG= -0.047146 logG= -0.056913 logGD-logG0= -0.005294 tlogG= -0.023572 logG= -0.028866 Density= 0.107909 ETOT(band)= -0.116658 trlgG= -0.146693 logG= -0.028866 TDE= -0.171225 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010420 tlogG= -0.048070 logG= -0.058490 Density= 0.214001 ETOT(band)= -0.233686 trlgG= -0.292444 logG= -0.056913 TDE= -0.341429 logGD-logG0= -0.009492 tlogG= -0.047922 logG= -0.057414 Density= 0.213499 ETOT(band)= -0.234147 trlgG= -0.293364 logG= -0.057414 TDE= -0.341600 logGD-logG0= -0.009610 tlogG= -0.047147 logG= -0.056758 Density= 0.213990 ETOT(band)= -0.233642 trlgG= -0.292652 logG= -0.056758 TDE= -0.341788 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215295 ETOT(band)= -0.234025 trlgG= -0.294571 logG= -0.058490 TDE= -0.342619 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010268 tlogG= -0.047969 logG= -0.058237 logGD-logG0= -0.010501 tlogG= -0.048004 logG= -0.058505 Density= 0.215331 ETOT(band)= -0.234016 trlgG= -0.294598 logG= -0.058505 TDE= -0.342650 logGD-logG0= -0.009383 tlogG= -0.047436 logG= -0.056819 Density= 0.215297 ETOT(band)= -0.233880 trlgG= -0.294155 logG= -0.058237 TDE= -0.342458 Density= 0.214534 ETOT(band)= -0.233473 trlgG= -0.292783 logG= -0.056819 TDE= -0.342127 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047514 logG= -0.058077 logGD-logG0= -0.010465 tlogG= -0.047736 logG= -0.058201 Density= 0.214981 ETOT(band)= -0.233971 trlgG= -0.294060 logG= -0.058201 TDE= -0.342243 logGD-logG0= -0.009817 tlogG= -0.045638 logG= -0.055455 Density= 0.215366 ETOT(band)= -0.232288 trlgG= -0.289834 logG= -0.055455 TDE= -0.340953 logGD-logG0= -0.010127 tlogG= -0.047650 logG= -0.057777 Density= 0.214175 ETOT(band)= -0.234071 trlgG= -0.293666 logG= -0.057777 TDE= -0.341873 Density= 0.215921 ETOT(band)= -0.233475 trlgG= -0.293946 logG= -0.058077 TDE= -0.342718 logGD-logG0= -0.010488 tlogG= -0.047927 logG= -0.058415 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.047776 logG= -0.058105 Density= 0.214881 ETOT(band)= -0.233965 trlgG= -0.293890 logG= -0.058105 TDE= -0.342120 Density= 0.216117 ETOT(band)= -0.233591 trlgG= -0.294509 logG= -0.058415 TDE= -0.343039 logGD-logG0= -0.010012 tlogG= -0.048018 logG= -0.058030 Density= 0.214756 ETOT(band)= -0.233994 trlgG= -0.293976 logG= -0.058030 TDE= -0.342218 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010613 tlogG= -0.048135 logG= -0.058748 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215647 ETOT(band)= -0.234042 trlgG= -0.295035 logG= -0.058748 TDE= -0.343000 logGD-logG0= -0.010354 tlogG= -0.047300 logG= -0.057654 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047411 logG= -0.057935 Density= 0.215689 ETOT(band)= -0.233514 trlgG= -0.293705 logG= -0.057935 TDE= -0.342503 Density= 0.214486 ETOT(band)= -0.233865 trlgG= -0.293143 logG= -0.057654 TDE= -0.341628 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002395 tlogG= -0.010423 logG= -0.012817 logGD-logG0= -0.010129 tlogG= -0.046402 logG= -0.056530 logGD-logG0= -0.009738 tlogG= -0.047213 logG= -0.056951 Density= 0.215434 ETOT(band)= -0.232849 trlgG= -0.291464 logG= -0.056530 TDE= -0.341541 logGD-logG0= -0.010542 tlogG= -0.047876 logG= -0.058418 Density= 0.215989 ETOT(band)= -0.233663 trlgG= -0.294510 logG= -0.058418 TDE= -0.342974 Density= 0.214699 ETOT(band)= -0.233434 trlgG= -0.292557 logG= -0.056951 TDE= -0.341850 Density= 0.054429 ETOT(band)= -0.057052 trlgG= -0.070657 logG= -0.012817 TDE= -0.084774 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001684 tlogG= -0.007303 logG= -0.008987 Density= 0.035879 ETOT(band)= -0.038561 trlgG= -0.047883 logG= -0.008987 TDE= -0.056651 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009713 tlogG= -0.045579 logG= -0.055291 Density= 0.214580 ETOT(band)= -0.232562 trlgG= -0.290020 logG= -0.055291 TDE= -0.340914 logGD-logG0= -0.010567 tlogG= -0.046869 logG= -0.057436 Density= 0.215650 ETOT(band)= -0.233238 trlgG= -0.292906 logG= -0.057436 TDE= -0.342184 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010040 tlogG= -0.047141 logG= -0.057181 Density= 0.215372 ETOT(band)= -0.233249 trlgG= -0.292479 logG= -0.057181 TDE= -0.341875 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002454 tlogG= -0.010838 logG= -0.013292 Density= 0.054115 ETOT(band)= -0.057568 trlgG= -0.071502 logG= -0.013292 TDE= -0.084989 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004972 tlogG= -0.021868 logG= -0.026840 logGD-logG0= -0.004887 tlogG= -0.021557 logG= -0.026444 Density= 0.108428 ETOT(band)= -0.115201 trlgG= -0.143427 logG= -0.026840 TDE= -0.170242 Density= 0.108617 ETOT(band)= -0.114836 trlgG= -0.142748 logG= -0.026444 TDE= -0.170053 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009978 tlogG= -0.043378 logG= -0.053356 logGD-logG0= -0.004992 tlogG= -0.021689 logG= -0.026680 Density= 0.108036 ETOT(band)= -0.115298 trlgG= -0.143178 logG= -0.026680 TDE= -0.169960 Density= 0.216486 ETOT(band)= -0.230385 trlgG= -0.286333 logG= -0.053356 TDE= -0.340105 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062604 ETOT(band)= -0.067519 trlgG= -0.084163 logG= -0.006351 TDE= -0.042356 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004576 tlogG= -0.023885 logG= -0.028461 Density= 0.213506 ETOT(band)= -0.233766 trlgG= -0.292335 logG= -0.028461 TDE= -0.170768 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.022901 logG= -0.027842 Density= 0.215013 ETOT(band)= -0.232311 trlgG= -0.289535 logG= -0.027842 TDE= -0.170416 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.006872 logG= -0.008447 Density= 0.040886 ETOT(band)= -0.042659 trlgG= -0.052771 logG= -0.008447 TDE= -0.056457 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001687 tlogG= -0.007114 logG= -0.008801 Density= 0.072299 ETOT(band)= -0.076453 trlgG= -0.094793 logG= -0.008801 TDE= -0.056618 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004925 tlogG= -0.022286 logG= -0.027211 Density= 0.214477 ETOT(band)= -0.232352 trlgG= -0.289290 logG= -0.027211 TDE= -0.170152 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004892 tlogG= -0.022469 logG= -0.027361 Density= 0.215236 ETOT(band)= -0.231578 trlgG= -0.287895 logG= -0.027361 TDE= -0.170165 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.021344 logG= -0.026314 Density= 0.217226 ETOT(band)= -0.229098 trlgG= -0.284137 logG= -0.026314 TDE= -0.169879 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005937 logG= -0.007209 Density= 0.080915 ETOT(band)= -0.087612 trlgG= -0.110303 logG= -0.007209 TDE= -0.042862 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005746 logG= -0.006999 Density= 0.080718 ETOT(band)= -0.087362 trlgG= -0.109552 logG= -0.006999 TDE= -0.042742 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001232 tlogG= -0.005618 logG= -0.006850 Density= 0.080918 ETOT(band)= -0.086935 trlgG= -0.108551 logG= -0.006850 TDE= -0.042666 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005854 logG= -0.007121 Density= 0.080732 ETOT(band)= -0.087577 trlgG= -0.110106 logG= -0.007121 TDE= -0.042808 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023994 logG= -0.029195 Density= 0.215908 ETOT(band)= -0.233763 trlgG= -0.294663 logG= -0.029195 TDE= -0.171561 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001424 tlogG= -0.007964 logG= -0.009388 logGD-logG0= -0.001270 tlogG= -0.005982 logG= -0.007252 Density= 0.081143 ETOT(band)= -0.087516 trlgG= -0.110357 logG= -0.007252 TDE= -0.042892 Density= 0.070941 ETOT(band)= -0.077918 trlgG= -0.097400 logG= -0.009388 TDE= -0.056957 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023992 logG= -0.029157 Density= 0.216573 ETOT(band)= -0.233248 trlgG= -0.294190 logG= -0.029157 TDE= -0.171579 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023792 logG= -0.029027 Density= 0.215556 ETOT(band)= -0.233668 trlgG= -0.294009 logG= -0.029027 TDE= -0.171409 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004273 tlogG= -0.024126 logG= -0.028399 logGD-logG0= -0.005227 tlogG= -0.023477 logG= -0.028704 Density= 0.212400 ETOT(band)= -0.234276 trlgG= -0.293525 logG= -0.028399 TDE= -0.170963 Density= 0.215435 ETOT(band)= -0.233234 trlgG= -0.292748 logG= -0.028704 TDE= -0.171152 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004747 tlogG= -0.024000 logG= -0.028746 Density= 0.321903 ETOT(band)= -0.350963 trlgG= -0.441096 logG= -0.028746 TDE= -0.171210 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.024156 logG= -0.029174 Density= 0.322777 ETOT(band)= -0.351077 trlgG= -0.441773 logG= -0.029174 TDE= -0.171216 logGD-logG0= -0.005096 tlogG= -0.022433 logG= -0.027529 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216582 ETOT(band)= -0.231199 trlgG= -0.288452 logG= -0.027529 TDE= -0.170551 logGD-logG0= -0.005049 tlogG= -0.023839 logG= -0.028889 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215717 ETOT(band)= -0.233664 trlgG= -0.294113 logG= -0.028889 TDE= -0.171096 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.023951 logG= -0.029003 Density= 0.214565 ETOT(band)= -0.233998 trlgG= -0.293750 logG= -0.029003 TDE= -0.171048 logGD-logG0= -0.004992 tlogG= -0.024151 logG= -0.029143 logGD-logG0= -0.010360 tlogG= -0.047772 logG= -0.058131 logGD-logG0= -0.004407 tlogG= -0.023735 logG= -0.028142 Density= 0.213309 ETOT(band)= -0.233492 trlgG= -0.291607 logG= -0.028142 TDE= -0.170765 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214966 ETOT(band)= -0.234071 trlgG= -0.294365 logG= -0.029143 TDE= -0.171220 Density= 0.324678 ETOT(band)= -0.349776 trlgG= -0.440784 logG= -0.058131 TDE= -0.342997 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024115 logG= -0.029408 logGD-logG0= -0.005223 tlogG= -0.024078 logG= -0.029301 Density= 0.323397 ETOT(band)= -0.351050 trlgG= -0.442423 logG= -0.029301 TDE= -0.171407 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215941 ETOT(band)= -0.233918 trlgG= -0.295078 logG= -0.029408 TDE= -0.171593 logGD-logG0= -0.004462 tlogG= -0.023581 logG= -0.028044 Density= 0.212844 ETOT(band)= -0.233898 trlgG= -0.292579 logG= -0.028044 TDE= -0.170680 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004550 tlogG= -0.023968 logG= -0.028518 logGD-logG0= -0.004659 tlogG= -0.023361 logG= -0.028021 logGD-logG0= -0.010640 tlogG= -0.048028 logG= -0.058668 Density= 0.213036 ETOT(band)= -0.234174 trlgG= -0.293326 logG= -0.028518 TDE= -0.170816 Density= 0.321968 ETOT(band)= -0.349919 trlgG= -0.438525 logG= -0.028021 TDE= -0.170885 Density= 0.323581 ETOT(band)= -0.350843 trlgG= -0.442121 logG= -0.058668 TDE= -0.342990 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.023878 logG= -0.028767 Density= 0.214013 ETOT(band)= -0.233913 trlgG= -0.292842 logG= -0.028767 TDE= -0.170777 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022961 logG= -0.028118 Density= 0.216439 ETOT(band)= -0.231995 trlgG= -0.290434 logG= -0.028118 TDE= -0.170885 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023949 logG= -0.029107 logGD-logG0= -0.005185 tlogG= -0.023408 logG= -0.028593 Density= 0.216607 ETOT(band)= -0.233144 trlgG= -0.293959 logG= -0.029107 TDE= -0.171552 Density= 0.216414 ETOT(band)= -0.232567 trlgG= -0.292048 logG= -0.028593 TDE= -0.171172 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.023238 logG= -0.027996 Density= 0.213722 ETOT(band)= -0.233520 trlgG= -0.292065 logG= -0.027996 TDE= -0.170729 logGD-logG0= -0.010128 tlogG= -0.045619 logG= -0.055747 Density= 0.324366 ETOT(band)= -0.347813 trlgG= -0.434737 logG= -0.055747 TDE= -0.341424 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010406 tlogG= -0.047221 logG= -0.057627 Density= 0.324459 ETOT(band)= -0.349409 trlgG= -0.439437 logG= -0.057627 TDE= -0.342605 logGD-logG0= -0.005178 tlogG= -0.023755 logG= -0.028933 Density= 0.216496 ETOT(band)= -0.232946 trlgG= -0.293254 logG= -0.028933 TDE= -0.171411 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023891 logG= -0.029233 Density= 0.215867 ETOT(band)= -0.233666 trlgG= -0.294392 logG= -0.029233 TDE= -0.171417 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.023239 logG= -0.028244 logGD-logG0= -0.004714 tlogG= -0.024001 logG= -0.028714 Density= 0.322038 ETOT(band)= -0.350424 trlgG= -0.439372 logG= -0.028244 TDE= -0.170838 Density= 0.214346 ETOT(band)= -0.233989 trlgG= -0.293968 logG= -0.028714 TDE= -0.171215 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023950 logG= -0.029277 Density= 0.323992 ETOT(band)= -0.350518 trlgG= -0.441868 logG= -0.029277 TDE= -0.171465 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.023830 logG= -0.028639 logGD-logG0= -0.010403 tlogG= -0.046401 logG= -0.056804 Density= 0.213799 ETOT(band)= -0.234051 trlgG= -0.293578 logG= -0.028639 TDE= -0.171033 Density= 0.324321 ETOT(band)= -0.348754 trlgG= -0.437353 logG= -0.056804 TDE= -0.342048 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009634 tlogG= -0.046593 logG= -0.056227 logGD-logG0= -0.009589 tlogG= -0.047827 logG= -0.057416 Density= 0.323032 ETOT(band)= -0.348878 trlgG= -0.436170 logG= -0.056227 TDE= -0.341579 Density= 0.428488 ETOT(band)= -0.467962 trlgG= -0.587521 logG= -0.057416 TDE= -0.342234 logGD-logG0= -0.004627 tlogG= -0.023365 logG= -0.027992 Density= 0.214405 ETOT(band)= -0.233279 trlgG= -0.292178 logG= -0.027992 TDE= -0.170893 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008903 tlogG= -0.048086 logG= -0.056989 Density= 0.425987 ETOT(band)= -0.468148 trlgG= -0.586139 logG= -0.056989 TDE= -0.341749 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010224 tlogG= -0.048210 logG= -0.058434 Density= 0.430485 ETOT(band)= -0.468080 trlgG= -0.589057 logG= -0.058434 TDE= -0.342494 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.023677 logG= -0.029067 Density= 0.215629 ETOT(band)= -0.233518 trlgG= -0.293694 logG= -0.029067 TDE= -0.171240 logGD-logG0= -0.005410 tlogG= -0.023349 logG= -0.028759 logGD-logG0= -0.010435 tlogG= -0.048060 logG= -0.058494 Density= 0.215328 ETOT(band)= -0.233261 trlgG= -0.292555 logG= -0.028759 TDE= -0.170946 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430591 ETOT(band)= -0.467910 trlgG= -0.588730 logG= -0.058494 TDE= -0.342619 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.021294 logG= -0.026182 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162806 ETOT(band)= -0.172923 trlgG= -0.215805 logG= -0.026182 TDE= -0.169866 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010604 tlogG= -0.047718 logG= -0.058322 Density= 0.431194 ETOT(band)= -0.467336 trlgG= -0.588020 logG= -0.058322 TDE= -0.342636 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010710 tlogG= -0.047678 logG= -0.058388 Density= 0.431534 ETOT(band)= -0.467281 trlgG= -0.588381 logG= -0.058388 TDE= -0.342743 logGD-logG0= -0.010201 tlogG= -0.047657 logG= -0.057858 Density= 0.428741 ETOT(band)= -0.467946 trlgG= -0.586853 logG= -0.057858 TDE= -0.341875 logGD-logG0= -0.009594 tlogG= -0.047642 logG= -0.057235 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009548 tlogG= -0.047761 logG= -0.057308 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427125 ETOT(band)= -0.468174 trlgG= -0.586653 logG= -0.057235 TDE= -0.341765 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427626 ETOT(band)= -0.467726 trlgG= -0.585508 logG= -0.057308 TDE= -0.341468 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001564 tlogG= -0.007587 logG= -0.009151 logGD-logG0= -0.009453 tlogG= -0.046595 logG= -0.056049 Density= 0.071569 ETOT(band)= -0.077319 trlgG= -0.096105 logG= -0.009151 TDE= -0.056732 Density= 0.428540 ETOT(band)= -0.466665 trlgG= -0.584135 logG= -0.056049 TDE= -0.341604 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010260 tlogG= -0.047945 logG= -0.058205 logGD-logG0= -0.010092 tlogG= -0.048137 logG= -0.058228 Density= 0.429653 ETOT(band)= -0.468037 trlgG= -0.587935 logG= -0.058205 TDE= -0.342119 Density= 0.429750 ETOT(band)= -0.468075 trlgG= -0.588291 logG= -0.058228 TDE= -0.342281 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009765 tlogG= -0.047842 logG= -0.057606 logGD-logG0= -0.010634 tlogG= -0.048003 logG= -0.058638 Density= 0.429584 ETOT(band)= -0.467739 trlgG= -0.587496 logG= -0.057606 TDE= -0.342221 logGD-logG0= -0.009945 tlogG= -0.047547 logG= -0.057493 Density= 0.429054 ETOT(band)= -0.467293 trlgG= -0.585896 logG= -0.057493 TDE= -0.341920 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431776 ETOT(band)= -0.467563 trlgG= -0.589373 logG= -0.058638 TDE= -0.343007 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009882 tlogG= -0.046389 logG= -0.056271 Density= 0.429967 ETOT(band)= -0.465377 trlgG= -0.581209 logG= -0.056271 TDE= -0.341300 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010265 tlogG= -0.046919 logG= -0.057184 Density= 0.430320 ETOT(band)= -0.466289 trlgG= -0.583899 logG= -0.057184 TDE= -0.341587 logGD-logG0= -0.004812 tlogG= -0.022321 logG= -0.027134 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323195 ETOT(band)= -0.347850 trlgG= -0.433785 logG= -0.027134 TDE= -0.170233 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010189 tlogG= -0.047559 logG= -0.057747 Density= 0.430452 ETOT(band)= -0.466934 trlgG= -0.585826 logG= -0.057747 TDE= -0.342032 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010663 tlogG= -0.047257 logG= -0.057920 Density= 0.430923 ETOT(band)= -0.466914 trlgG= -0.586550 logG= -0.057920 TDE= -0.342252 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023190 logG= -0.028333 Density= 0.215087 ETOT(band)= -0.232863 trlgG= -0.291062 logG= -0.028333 TDE= -0.170602 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009396 tlogG= -0.046704 logG= -0.056099 Density= 0.428332 ETOT(band)= -0.465947 trlgG= -0.581532 logG= -0.056099 TDE= -0.341188 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.044611 logG= -0.054532 logGD-logG0= -0.001200 tlogG= -0.005305 logG= -0.006506 Density= 0.081635 ETOT(band)= -0.085657 trlgG= -0.106157 logG= -0.006506 TDE= -0.042457 Density= 0.324604 ETOT(band)= -0.346547 trlgG= -0.431731 logG= -0.054532 TDE= -0.340747 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005466 logG= -0.006686 Density= 0.081278 ETOT(band)= -0.086324 trlgG= -0.107315 logG= -0.006686 TDE= -0.042569 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004772 tlogG= -0.022321 logG= -0.027093 Density= 0.215243 ETOT(band)= -0.231865 trlgG= -0.288938 logG= -0.027093 TDE= -0.170238 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005059 tlogG= -0.021873 logG= -0.026932 Density= 0.216836 ETOT(band)= -0.230203 trlgG= -0.286338 logG= -0.026932 TDE= -0.170211 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009771 tlogG= -0.044613 logG= -0.054384 Density= 0.432030 ETOT(band)= -0.461914 trlgG= -0.574440 logG= -0.054384 TDE= -0.340385 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.021199 logG= -0.026128 Density= 0.216554 ETOT(band)= -0.229957 trlgG= -0.285392 logG= -0.026128 TDE= -0.169785 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.691158083321 eV TrLogG= -407.201289984827 eV Ratio to renormalize= 0.999005333762 rho-rho_expected= 0.021904444844 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964641360807758 0.940368183157896 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002315 tlogG= -0.011880 logG= -0.014195 Density= 0.053617 ETOT(band)= -0.058375 trlgG= -0.073221 logG= -0.014195 TDE= -0.085558 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004547 ETOT(band)= -0.004731 trlgG= -0.005849 logG= -0.001047 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004522 tlogG= -0.024040 logG= -0.028563 Density= 0.106501 ETOT(band)= -0.117100 trlgG= -0.146708 logG= -0.028563 TDE= -0.170847 logGD-logG0= -0.004937 tlogG= -0.022162 logG= -0.027099 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108463 ETOT(band)= -0.115384 trlgG= -0.143873 logG= -0.027099 TDE= -0.170447 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023677 logG= -0.028944 Density= 0.107343 ETOT(band)= -0.116950 trlgG= -0.146756 logG= -0.028944 TDE= -0.170931 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.022869 logG= -0.027961 logGD-logG0= -0.005014 tlogG= -0.022726 logG= -0.027740 Density= 0.107724 ETOT(band)= -0.116248 trlgG= -0.145253 logG= -0.027961 TDE= -0.170600 Density= 0.108354 ETOT(band)= -0.115825 trlgG= -0.144915 logG= -0.027740 TDE= -0.170794 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004658 tlogG= -0.023663 logG= -0.028321 Density= 0.106709 ETOT(band)= -0.116907 trlgG= -0.146293 logG= -0.028321 TDE= -0.170777 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.023888 logG= -0.028769 Density= 0.106869 ETOT(band)= -0.117061 trlgG= -0.146819 logG= -0.028769 TDE= -0.170934 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001479 tlogG= -0.007809 logG= -0.009288 Density= 0.035529 ETOT(band)= -0.038908 trlgG= -0.048578 logG= -0.009288 TDE= -0.056872 logGD-logG0= -0.001397 tlogG= -0.008042 logG= -0.009440 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035351 ETOT(band)= -0.039058 trlgG= -0.048942 logG= -0.009440 TDE= -0.056995 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004299 tlogG= -0.024046 logG= -0.028345 Density= 0.106230 ETOT(band)= -0.117112 trlgG= -0.146699 logG= -0.028345 TDE= -0.170922 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004602 tlogG= -0.023200 logG= -0.027802 Density= 0.106846 ETOT(band)= -0.116571 trlgG= -0.145382 logG= -0.027802 TDE= -0.170453 logGD-logG0= -0.004326 tlogG= -0.023969 logG= -0.028295 Density= 0.106282 ETOT(band)= -0.117068 trlgG= -0.146586 logG= -0.028295 TDE= -0.170885 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.022402 logG= -0.027396 Density= 0.107741 ETOT(band)= -0.115916 trlgG= -0.144359 logG= -0.027396 TDE= -0.170278 logGD-logG0= -0.004713 tlogG= -0.023495 logG= -0.028208 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106884 ETOT(band)= -0.116761 trlgG= -0.145865 logG= -0.028208 TDE= -0.170549 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004689 tlogG= -0.022984 logG= -0.027673 Density= 0.106981 ETOT(band)= -0.116441 trlgG= -0.145120 logG= -0.027673 TDE= -0.170386 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002592 tlogG= -0.012029 logG= -0.014621 Density= 0.053818 ETOT(band)= -0.058508 trlgG= -0.073640 logG= -0.014621 TDE= -0.085650 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002410 tlogG= -0.012079 logG= -0.014489 Density= 0.053640 ETOT(band)= -0.058519 trlgG= -0.073583 logG= -0.014489 TDE= -0.085638 logGD-logG0= -0.002323 tlogG= -0.011445 logG= -0.013768 Density= 0.053790 ETOT(band)= -0.058046 trlgG= -0.072458 logG= -0.013768 TDE= -0.085309 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001619 tlogG= -0.006989 logG= -0.008608 Density= 0.036230 ETOT(band)= -0.038112 trlgG= -0.047222 logG= -0.008608 TDE= -0.056543 logGD-logG0= -0.002395 tlogG= -0.010422 logG= -0.012817 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054429 ETOT(band)= -0.057051 trlgG= -0.070656 logG= -0.012817 TDE= -0.084773 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002550 tlogG= -0.011980 logG= -0.014530 Density= 0.054191 ETOT(band)= -0.058271 trlgG= -0.073505 logG= -0.014530 TDE= -0.085791 logGD-logG0= -0.005120 tlogG= -0.023942 logG= -0.029062 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108336 ETOT(band)= -0.116567 trlgG= -0.147014 logG= -0.029062 TDE= -0.171562 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023422 logG= -0.028551 Density= 0.108238 ETOT(band)= -0.116331 trlgG= -0.146200 logG= -0.028551 TDE= -0.171211 logGD-logG0= -0.005259 tlogG= -0.024065 logG= -0.029323 Density= 0.107753 ETOT(band)= -0.117017 trlgG= -0.147425 logG= -0.029323 TDE= -0.171423 logGD-logG0= -0.005133 tlogG= -0.023756 logG= -0.028889 logGD-logG0= -0.004845 tlogG= -0.022843 logG= -0.027688 Density= 0.107854 ETOT(band)= -0.116044 trlgG= -0.144843 logG= -0.027688 TDE= -0.170526 Density= 0.108285 ETOT(band)= -0.116492 trlgG= -0.146735 logG= -0.028889 TDE= -0.171432 logGD-logG0= -0.005019 tlogG= -0.022450 logG= -0.027468 Density= 0.108308 ETOT(band)= -0.115689 trlgG= -0.144480 logG= -0.027468 TDE= -0.170608 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.022975 logG= -0.028061 Density= 0.108241 ETOT(band)= -0.116061 trlgG= -0.145426 logG= -0.028061 TDE= -0.170928 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004973 tlogG= -0.024086 logG= -0.029059 Density= 0.107491 ETOT(band)= -0.116981 trlgG= -0.147048 logG= -0.029059 TDE= -0.171181 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001684 tlogG= -0.007303 logG= -0.008986 Density= 0.035879 ETOT(band)= -0.038560 trlgG= -0.047882 logG= -0.008986 TDE= -0.056650 logGD-logG0= -0.005110 tlogG= -0.023597 logG= -0.028707 Density= 0.108311 ETOT(band)= -0.116377 trlgG= -0.146444 logG= -0.028707 TDE= -0.171335 logGD-logG0= -0.005079 tlogG= -0.023208 logG= -0.028287 Density= 0.108301 ETOT(band)= -0.116154 trlgG= -0.145781 logG= -0.028287 TDE= -0.171087 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002619 tlogG= -0.011984 logG= -0.014603 logGD-logG0= -0.005291 tlogG= -0.023896 logG= -0.029187 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107862 ETOT(band)= -0.116884 trlgG= -0.147211 logG= -0.029187 TDE= -0.171399 logGD-logG0= -0.004976 tlogG= -0.023638 logG= -0.028614 Density= 0.107089 ETOT(band)= -0.116879 trlgG= -0.146206 logG= -0.028614 TDE= -0.170585 Density= 0.054037 ETOT(band)= -0.058392 trlgG= -0.073625 logG= -0.014603 TDE= -0.085763 logGD-logG0= -0.005270 tlogG= -0.024079 logG= -0.029349 logGD-logG0= -0.005302 tlogG= -0.024125 logG= -0.029427 Density= 0.107921 ETOT(band)= -0.117013 trlgG= -0.147614 logG= -0.029427 TDE= -0.171592 Density= 0.107997 ETOT(band)= -0.116925 trlgG= -0.147490 logG= -0.029349 TDE= -0.171583 logGD-logG0= -0.004887 tlogG= -0.021557 logG= -0.026444 logGD-logG0= -0.004807 tlogG= -0.020982 logG= -0.025788 Density= 0.108811 ETOT(band)= -0.114248 trlgG= -0.141591 logG= -0.025788 TDE= -0.169648 Density= 0.108617 ETOT(band)= -0.114834 trlgG= -0.142746 logG= -0.026444 TDE= -0.170052 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023960 logG= -0.029170 Density= 0.107555 ETOT(band)= -0.117003 trlgG= -0.147152 logG= -0.029170 TDE= -0.171206 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.024062 logG= -0.028923 Density= 0.107168 ETOT(band)= -0.117043 trlgG= -0.147074 logG= -0.028923 TDE= -0.171183 logGD-logG0= -0.004810 tlogG= -0.023682 logG= -0.028492 Density= 0.107488 ETOT(band)= -0.116672 trlgG= -0.146308 logG= -0.028492 TDE= -0.171007 logGD-logG0= -0.004689 tlogG= -0.023680 logG= -0.028368 logGD-logG0= -0.005107 tlogG= -0.023864 logG= -0.028971 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108356 ETOT(band)= -0.116503 trlgG= -0.146865 logG= -0.028971 TDE= -0.171514 Density= 0.107087 ETOT(band)= -0.116790 trlgG= -0.146398 logG= -0.028368 TDE= -0.171022 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.022845 logG= -0.027567 logGD-logG0= -0.005283 tlogG= -0.023190 logG= -0.028472 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107405 ETOT(band)= -0.116188 trlgG= -0.144969 logG= -0.027567 TDE= -0.170551 Density= 0.107791 ETOT(band)= -0.116495 trlgG= -0.146062 logG= -0.028472 TDE= -0.170930 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005257 tlogG= -0.023862 logG= -0.029119 Density= 0.108025 ETOT(band)= -0.116753 trlgG= -0.147106 logG= -0.029119 TDE= -0.171443 logGD-logG0= -0.005294 tlogG= -0.023572 logG= -0.028866 Density= 0.107909 ETOT(band)= -0.116656 trlgG= -0.146691 logG= -0.028866 TDE= -0.171224 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009743 tlogG= -0.048231 logG= -0.057974 logGD-logG0= -0.009434 tlogG= -0.045748 logG= -0.055182 Density= 0.215233 ETOT(band)= -0.232210 trlgG= -0.289840 logG= -0.055182 TDE= -0.341166 Density= 0.214626 ETOT(band)= -0.234044 trlgG= -0.294222 logG= -0.057974 TDE= -0.342456 logGD-logG0= -0.005245 tlogG= -0.024050 logG= -0.029295 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108056 ETOT(band)= -0.116858 trlgG= -0.147402 logG= -0.029295 TDE= -0.171578 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.021812 logG= -0.026863 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107893 ETOT(band)= -0.115489 trlgG= -0.143486 logG= -0.026863 TDE= -0.170014 logGD-logG0= -0.009065 tlogG= -0.047621 logG= -0.056686 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213150 ETOT(band)= -0.233937 trlgG= -0.292720 logG= -0.056686 TDE= -0.341512 logGD-logG0= -0.009889 tlogG= -0.047887 logG= -0.057776 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009610 tlogG= -0.047146 logG= -0.056757 Density= 0.213989 ETOT(band)= -0.233639 trlgG= -0.292648 logG= -0.056757 TDE= -0.341784 logGD-logG0= -0.009713 tlogG= -0.045577 logG= -0.055291 Density= 0.214580 ETOT(band)= -0.232560 trlgG= -0.290016 logG= -0.055291 TDE= -0.340910 Density= 0.214194 ETOT(band)= -0.234082 trlgG= -0.293910 logG= -0.057776 TDE= -0.342128 logGD-logG0= -0.009492 tlogG= -0.047921 logG= -0.057414 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213499 ETOT(band)= -0.234145 trlgG= -0.293361 logG= -0.057414 TDE= -0.341597 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.047735 logG= -0.058200 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010420 tlogG= -0.048069 logG= -0.058489 logGD-logG0= -0.009383 tlogG= -0.047434 logG= -0.056818 Density= 0.214533 ETOT(band)= -0.233470 trlgG= -0.292780 logG= -0.056818 TDE= -0.342123 logGD-logG0= -0.009818 tlogG= -0.045637 logG= -0.055455 Density= 0.214980 ETOT(band)= -0.233969 trlgG= -0.294056 logG= -0.058200 TDE= -0.342239 Density= 0.215294 ETOT(band)= -0.234023 trlgG= -0.294567 logG= -0.058489 TDE= -0.342616 Density= 0.215365 ETOT(band)= -0.232286 trlgG= -0.289831 logG= -0.055455 TDE= -0.340949 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009767 tlogG= -0.047146 logG= -0.056913 Density= 0.214001 ETOT(band)= -0.233683 trlgG= -0.292440 logG= -0.056913 TDE= -0.341426 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010268 tlogG= -0.047968 logG= -0.058236 Density= 0.215296 ETOT(band)= -0.233878 trlgG= -0.294151 logG= -0.058236 TDE= -0.342454 logGD-logG0= -0.010128 tlogG= -0.047649 logG= -0.057776 logGD-logG0= -0.010329 tlogG= -0.047775 logG= -0.058104 Density= 0.214175 ETOT(band)= -0.234069 trlgG= -0.293662 logG= -0.057776 TDE= -0.341870 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214880 ETOT(band)= -0.233962 trlgG= -0.293887 logG= -0.058104 TDE= -0.342116 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.021688 logG= -0.026680 Density= 0.108036 ETOT(band)= -0.115297 trlgG= -0.143177 logG= -0.026680 TDE= -0.169958 logGD-logG0= -0.010012 tlogG= -0.048016 logG= -0.058029 Density= 0.214756 ETOT(band)= -0.233991 trlgG= -0.293972 logG= -0.058029 TDE= -0.342215 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.048003 logG= -0.058504 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215331 ETOT(band)= -0.234014 trlgG= -0.294594 logG= -0.058504 TDE= -0.342646 logGD-logG0= -0.010354 tlogG= -0.047299 logG= -0.057653 logGD-logG0= -0.010129 tlogG= -0.046401 logG= -0.056530 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010563 tlogG= -0.047513 logG= -0.058076 Density= 0.215920 ETOT(band)= -0.233472 trlgG= -0.293943 logG= -0.058076 TDE= -0.342715 Density= 0.215434 ETOT(band)= -0.232846 trlgG= -0.291460 logG= -0.056530 TDE= -0.341538 logGD-logG0= -0.010524 tlogG= -0.047410 logG= -0.057935 Density= 0.214485 ETOT(band)= -0.233863 trlgG= -0.293139 logG= -0.057653 TDE= -0.341624 Density= 0.215688 ETOT(band)= -0.233512 trlgG= -0.293702 logG= -0.057935 TDE= -0.342500 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010614 tlogG= -0.048134 logG= -0.058748 logGD-logG0= -0.010489 tlogG= -0.047926 logG= -0.058414 Density= 0.215646 ETOT(band)= -0.234039 trlgG= -0.295031 logG= -0.058748 TDE= -0.342996 Density= 0.216116 ETOT(band)= -0.233589 trlgG= -0.294505 logG= -0.058414 TDE= -0.343035 logGD-logG0= -0.009738 tlogG= -0.047212 logG= -0.056950 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214698 ETOT(band)= -0.233432 trlgG= -0.292554 logG= -0.056950 TDE= -0.341847 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010543 tlogG= -0.047874 logG= -0.058417 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215988 ETOT(band)= -0.233660 trlgG= -0.294506 logG= -0.058417 TDE= -0.342971 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.046868 logG= -0.057435 Density= 0.215649 ETOT(band)= -0.233236 trlgG= -0.292902 logG= -0.057435 TDE= -0.342181 logGD-logG0= -0.004972 tlogG= -0.021867 logG= -0.026840 Density= 0.108428 ETOT(band)= -0.115200 trlgG= -0.143425 logG= -0.026840 TDE= -0.170240 logGD-logG0= -0.002454 tlogG= -0.010838 logG= -0.013292 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054115 ETOT(band)= -0.057568 trlgG= -0.071501 logG= -0.013292 TDE= -0.084988 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010040 tlogG= -0.047140 logG= -0.057180 Density= 0.215371 ETOT(band)= -0.233246 trlgG= -0.292476 logG= -0.057180 TDE= -0.341871 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009978 tlogG= -0.043377 logG= -0.053355 Density= 0.216486 ETOT(band)= -0.230383 trlgG= -0.286330 logG= -0.053355 TDE= -0.340102 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001253 tlogG= -0.005746 logG= -0.006999 Density= 0.080718 ETOT(band)= -0.087361 trlgG= -0.109551 logG= -0.006999 TDE= -0.042742 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.023950 logG= -0.029002 Density= 0.214564 ETOT(band)= -0.233996 trlgG= -0.293746 logG= -0.029002 TDE= -0.171046 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.022432 logG= -0.027528 Density= 0.216581 ETOT(band)= -0.231197 trlgG= -0.288448 logG= -0.027528 TDE= -0.170549 logGD-logG0= -0.004550 tlogG= -0.023967 logG= -0.028517 Density= 0.213035 ETOT(band)= -0.234171 trlgG= -0.293322 logG= -0.028517 TDE= -0.170815 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.022960 logG= -0.028118 Density= 0.216439 ETOT(band)= -0.231992 trlgG= -0.290431 logG= -0.028118 TDE= -0.170883 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.023238 logG= -0.027996 Density= 0.213721 ETOT(band)= -0.233518 trlgG= -0.292061 logG= -0.027996 TDE= -0.170727 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023190 logG= -0.028333 Density= 0.215086 ETOT(band)= -0.232860 trlgG= -0.291058 logG= -0.028333 TDE= -0.170600 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.023830 logG= -0.028638 Density= 0.213799 ETOT(band)= -0.234048 trlgG= -0.293574 logG= -0.028638 TDE= -0.171031 logGD-logG0= -0.001424 tlogG= -0.007964 logG= -0.009388 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070941 ETOT(band)= -0.077917 trlgG= -0.097399 logG= -0.009388 TDE= -0.056956 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004273 tlogG= -0.024126 logG= -0.028399 Density= 0.212399 ETOT(band)= -0.234273 trlgG= -0.293521 logG= -0.028399 TDE= -0.170961 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005937 logG= -0.007209 Density= 0.080914 ETOT(band)= -0.087611 trlgG= -0.110302 logG= -0.007209 TDE= -0.042862 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004407 tlogG= -0.023734 logG= -0.028141 Density= 0.213309 ETOT(band)= -0.233490 trlgG= -0.291603 logG= -0.028141 TDE= -0.170763 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.006872 logG= -0.008447 Density= 0.040886 ETOT(band)= -0.042658 trlgG= -0.052771 logG= -0.008447 TDE= -0.056457 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004463 tlogG= -0.023581 logG= -0.028044 Density= 0.212844 ETOT(band)= -0.233895 trlgG= -0.292576 logG= -0.028044 TDE= -0.170678 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005169 logG= -0.006351 Density= 0.062604 ETOT(band)= -0.067518 trlgG= -0.084162 logG= -0.006351 TDE= -0.042355 logGD-logG0= -0.001267 tlogG= -0.005854 logG= -0.007121 Density= 0.080731 ETOT(band)= -0.087576 trlgG= -0.110105 logG= -0.007121 TDE= -0.042807 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004576 tlogG= -0.023885 logG= -0.028461 Density= 0.213505 ETOT(band)= -0.233763 trlgG= -0.292331 logG= -0.028461 TDE= -0.170767 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.022900 logG= -0.027842 Density= 0.215013 ETOT(band)= -0.232308 trlgG= -0.289532 logG= -0.027842 TDE= -0.170414 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005982 logG= -0.007252 Density= 0.081142 ETOT(band)= -0.087515 trlgG= -0.110356 logG= -0.007252 TDE= -0.042892 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023754 logG= -0.028932 Density= 0.216495 ETOT(band)= -0.232943 trlgG= -0.293251 logG= -0.028932 TDE= -0.171409 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.024150 logG= -0.029143 Density= 0.214965 ETOT(band)= -0.234068 trlgG= -0.294361 logG= -0.029143 TDE= -0.171219 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.023890 logG= -0.029232 Density= 0.215866 ETOT(band)= -0.233663 trlgG= -0.294388 logG= -0.029232 TDE= -0.171415 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001200 tlogG= -0.005305 logG= -0.006506 Density= 0.081634 ETOT(band)= -0.085656 trlgG= -0.106156 logG= -0.006506 TDE= -0.042457 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005390 tlogG= -0.023676 logG= -0.029067 Density= 0.215628 ETOT(band)= -0.233515 trlgG= -0.293690 logG= -0.029067 TDE= -0.171238 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001232 tlogG= -0.005617 logG= -0.006850 Density= 0.080918 ETOT(band)= -0.086934 trlgG= -0.108550 logG= -0.006850 TDE= -0.042666 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005159 tlogG= -0.023948 logG= -0.029107 Density= 0.216606 ETOT(band)= -0.233141 trlgG= -0.293955 logG= -0.029107 TDE= -0.171550 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008903 tlogG= -0.048085 logG= -0.056988 Density= 0.425986 ETOT(band)= -0.468142 trlgG= -0.586132 logG= -0.056988 TDE= -0.341745 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001564 tlogG= -0.007586 logG= -0.009151 Density= 0.071568 ETOT(band)= -0.077318 trlgG= -0.096104 logG= -0.009151 TDE= -0.056732 logGD-logG0= -0.009396 tlogG= -0.046703 logG= -0.056098 Density= 0.428330 ETOT(band)= -0.465941 trlgG= -0.581525 logG= -0.056098 TDE= -0.341185 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.021294 logG= -0.026182 Density= 0.162805 ETOT(band)= -0.172921 trlgG= -0.215803 logG= -0.026182 TDE= -0.169864 logGD-logG0= -0.001687 tlogG= -0.007114 logG= -0.008801 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072298 ETOT(band)= -0.076452 trlgG= -0.094792 logG= -0.008801 TDE= -0.056617 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005235 tlogG= -0.023791 logG= -0.029027 logGD-logG0= -0.009594 tlogG= -0.047641 logG= -0.057235 Density= 0.427123 ETOT(band)= -0.468168 trlgG= -0.586645 logG= -0.057235 TDE= -0.341762 Density= 0.215555 ETOT(band)= -0.233666 trlgG= -0.294006 logG= -0.029027 TDE= -0.171407 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023993 logG= -0.029195 logGD-logG0= -0.009882 tlogG= -0.046387 logG= -0.056270 Density= 0.429966 ETOT(band)= -0.465372 trlgG= -0.581202 logG= -0.056270 TDE= -0.341296 Density= 0.215907 ETOT(band)= -0.233760 trlgG= -0.294660 logG= -0.029195 TDE= -0.171559 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.022468 logG= -0.027360 Density= 0.215235 ETOT(band)= -0.231575 trlgG= -0.287891 logG= -0.027360 TDE= -0.170163 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009548 tlogG= -0.047760 logG= -0.057307 Density= 0.427624 ETOT(band)= -0.467721 trlgG= -0.585500 logG= -0.057307 TDE= -0.341464 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023991 logG= -0.029157 Density= 0.216572 ETOT(band)= -0.233245 trlgG= -0.294187 logG= -0.029157 TDE= -0.171577 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023476 logG= -0.028704 Density= 0.215435 ETOT(band)= -0.233232 trlgG= -0.292744 logG= -0.028704 TDE= -0.171150 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004747 tlogG= -0.023999 logG= -0.028746 Density= 0.321902 ETOT(band)= -0.350959 trlgG= -0.441091 logG= -0.028746 TDE= -0.171208 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.023839 logG= -0.028888 Density= 0.215717 ETOT(band)= -0.233662 trlgG= -0.294109 logG= -0.028888 TDE= -0.171095 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.044610 logG= -0.054532 Density= 0.324603 ETOT(band)= -0.346544 trlgG= -0.431726 logG= -0.054532 TDE= -0.340743 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.024156 logG= -0.029174 Density= 0.322775 ETOT(band)= -0.351073 trlgG= -0.441768 logG= -0.029174 TDE= -0.171214 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004659 tlogG= -0.023361 logG= -0.028020 Density= 0.321967 ETOT(band)= -0.349915 trlgG= -0.438519 logG= -0.028020 TDE= -0.170883 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024114 logG= -0.029408 Density= 0.215940 ETOT(band)= -0.233915 trlgG= -0.295074 logG= -0.029408 TDE= -0.171592 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009634 tlogG= -0.046592 logG= -0.056226 Density= 0.323031 ETOT(band)= -0.348874 trlgG= -0.436165 logG= -0.056226 TDE= -0.341576 logGD-logG0= -0.005185 tlogG= -0.023407 logG= -0.028592 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216413 ETOT(band)= -0.232564 trlgG= -0.292044 logG= -0.028592 TDE= -0.171170 logGD-logG0= -0.005059 tlogG= -0.021872 logG= -0.026931 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216835 ETOT(band)= -0.230201 trlgG= -0.286335 logG= -0.026931 TDE= -0.170209 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010360 tlogG= -0.047770 logG= -0.058131 Density= 0.324676 ETOT(band)= -0.349773 trlgG= -0.440779 logG= -0.058131 TDE= -0.342994 logGD-logG0= -0.004889 tlogG= -0.023878 logG= -0.028767 Density= 0.214012 ETOT(band)= -0.233910 trlgG= -0.292838 logG= -0.028767 TDE= -0.170775 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.023238 logG= -0.028243 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322037 ETOT(band)= -0.350420 trlgG= -0.439367 logG= -0.028243 TDE= -0.170837 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.048026 logG= -0.058667 Density= 0.323580 ETOT(band)= -0.350839 trlgG= -0.442115 logG= -0.058667 TDE= -0.342986 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.021343 logG= -0.026314 Density= 0.217225 ETOT(band)= -0.229096 trlgG= -0.284134 logG= -0.026314 TDE= -0.169877 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010406 tlogG= -0.047220 logG= -0.057626 logGD-logG0= -0.010128 tlogG= -0.045618 logG= -0.055746 Density= 0.324365 ETOT(band)= -0.347810 trlgG= -0.434731 logG= -0.055746 TDE= -0.341421 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324458 ETOT(band)= -0.349406 trlgG= -0.439431 logG= -0.057626 TDE= -0.342602 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004714 tlogG= -0.024000 logG= -0.028714 Density= 0.214345 ETOT(band)= -0.233986 trlgG= -0.293964 logG= -0.028714 TDE= -0.171213 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010404 tlogG= -0.046399 logG= -0.056803 Density= 0.324320 ETOT(band)= -0.348751 trlgG= -0.437347 logG= -0.056803 TDE= -0.342045 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023949 logG= -0.029276 Density= 0.323991 ETOT(band)= -0.350514 trlgG= -0.441863 logG= -0.029276 TDE= -0.171464 logGD-logG0= -0.004627 tlogG= -0.023364 logG= -0.027991 Density= 0.214404 ETOT(band)= -0.233277 trlgG= -0.292174 logG= -0.027991 TDE= -0.170891 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009589 tlogG= -0.047826 logG= -0.057415 Density= 0.428486 ETOT(band)= -0.467957 trlgG= -0.587514 logG= -0.057415 TDE= -0.342231 logGD-logG0= -0.005410 tlogG= -0.023349 logG= -0.028759 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215327 ETOT(band)= -0.233258 trlgG= -0.292551 logG= -0.028759 TDE= -0.170944 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005223 tlogG= -0.024078 logG= -0.029301 Density= 0.323396 ETOT(band)= -0.351046 trlgG= -0.442417 logG= -0.029301 TDE= -0.171405 logGD-logG0= -0.010092 tlogG= -0.048135 logG= -0.058227 Density= 0.429748 ETOT(band)= -0.468070 trlgG= -0.588283 logG= -0.058227 TDE= -0.342278 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010435 tlogG= -0.048058 logG= -0.058493 Density= 0.430589 ETOT(band)= -0.467905 trlgG= -0.588722 logG= -0.058493 TDE= -0.342616 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047656 logG= -0.057857 Density= 0.428739 ETOT(band)= -0.467941 trlgG= -0.586845 logG= -0.057857 TDE= -0.341872 logGD-logG0= -0.010604 tlogG= -0.047717 logG= -0.058321 Density= 0.431193 ETOT(band)= -0.467331 trlgG= -0.588013 logG= -0.058321 TDE= -0.342632 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.046594 logG= -0.056048 Density= 0.428539 ETOT(band)= -0.466659 trlgG= -0.584127 logG= -0.056048 TDE= -0.341600 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010260 tlogG= -0.047944 logG= -0.058204 logGD-logG0= -0.009765 tlogG= -0.047840 logG= -0.057606 Density= 0.429583 ETOT(band)= -0.467734 trlgG= -0.587488 logG= -0.057606 TDE= -0.342218 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429652 ETOT(band)= -0.468031 trlgG= -0.587927 logG= -0.058204 TDE= -0.342116 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010711 tlogG= -0.047677 logG= -0.058388 Density= 0.431533 ETOT(band)= -0.467276 trlgG= -0.588374 logG= -0.058388 TDE= -0.342739 logGD-logG0= -0.010225 tlogG= -0.048209 logG= -0.058434 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430483 ETOT(band)= -0.468075 trlgG= -0.589049 logG= -0.058434 TDE= -0.342490 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.021198 logG= -0.026128 Density= 0.216553 ETOT(band)= -0.229955 trlgG= -0.285388 logG= -0.026128 TDE= -0.169784 logGD-logG0= -0.010265 tlogG= -0.046918 logG= -0.057183 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430318 ETOT(band)= -0.466284 trlgG= -0.583892 logG= -0.057183 TDE= -0.341584 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009946 tlogG= -0.047546 logG= -0.057492 Density= 0.429052 ETOT(band)= -0.467288 trlgG= -0.585889 logG= -0.057492 TDE= -0.341917 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.048002 logG= -0.058637 Density= 0.431774 ETOT(band)= -0.467558 trlgG= -0.589365 logG= -0.058637 TDE= -0.343004 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010664 tlogG= -0.047256 logG= -0.057920 Density= 0.430921 ETOT(band)= -0.466909 trlgG= -0.586543 logG= -0.057920 TDE= -0.342248 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004813 tlogG= -0.022321 logG= -0.027134 Density= 0.323194 ETOT(band)= -0.347846 trlgG= -0.433779 logG= -0.027134 TDE= -0.170231 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010189 tlogG= -0.047558 logG= -0.057746 Density= 0.430451 ETOT(band)= -0.466929 trlgG= -0.585819 logG= -0.057746 TDE= -0.342029 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022286 logG= -0.027211 Density= 0.214477 ETOT(band)= -0.232350 trlgG= -0.289286 logG= -0.027211 TDE= -0.170150 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001220 tlogG= -0.005466 logG= -0.006686 Density= 0.081278 ETOT(band)= -0.086323 trlgG= -0.107313 logG= -0.006686 TDE= -0.042568 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009771 tlogG= -0.044612 logG= -0.054383 Density= 0.432029 ETOT(band)= -0.461909 trlgG= -0.574433 logG= -0.054383 TDE= -0.340381 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004772 tlogG= -0.022320 logG= -0.027093 Density= 0.215243 ETOT(band)= -0.231863 trlgG= -0.288935 logG= -0.027093 TDE= -0.170237 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.687546942643 eV TrLogG= -407.195575651781 eV Ratio to renormalize= 0.999009046471 rho-rho_expected= 0.021822602814 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964588408853387 0.940270776451188 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002411 tlogG= -0.012075 logG= -0.014486 Density= 0.053638 ETOT(band)= -0.058511 trlgG= -0.073571 logG= -0.014486 TDE= -0.085627 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002552 tlogG= -0.011976 logG= -0.014528 Density= 0.054188 ETOT(band)= -0.058264 trlgG= -0.073494 logG= -0.014528 TDE= -0.085781 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002621 tlogG= -0.011980 logG= -0.014600 Density= 0.054034 ETOT(band)= -0.058384 trlgG= -0.073614 logG= -0.014600 TDE= -0.085752 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009768 tlogG= -0.047135 logG= -0.056903 Density= 0.213992 ETOT(band)= -0.233651 trlgG= -0.292394 logG= -0.056903 TDE= -0.341385 logGD-logG0= -0.009494 tlogG= -0.047910 logG= -0.057404 Density= 0.213490 ETOT(band)= -0.234112 trlgG= -0.293314 logG= -0.057404 TDE= -0.341555 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.045564 logG= -0.055282 Density= 0.214571 ETOT(band)= -0.232528 trlgG= -0.289971 logG= -0.055282 TDE= -0.340870 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009822 tlogG= -0.045624 logG= -0.055446 Density= 0.215355 ETOT(band)= -0.232255 trlgG= -0.289787 logG= -0.055446 TDE= -0.340909 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.021860 logG= -0.026836 Density= 0.108422 ETOT(band)= -0.115185 trlgG= -0.143404 logG= -0.026836 TDE= -0.170221 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001398 tlogG= -0.008040 logG= -0.009438 Density= 0.035350 ETOT(band)= -0.039053 trlgG= -0.048934 logG= -0.009438 TDE= -0.056988 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004301 tlogG= -0.024039 logG= -0.028340 Density= 0.106227 ETOT(band)= -0.117095 trlgG= -0.146675 logG= -0.028340 TDE= -0.170901 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023194 logG= -0.027797 Density= 0.106842 ETOT(band)= -0.116555 trlgG= -0.145359 logG= -0.027797 TDE= -0.170433 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001684 tlogG= -0.007301 logG= -0.008985 Density= 0.035877 ETOT(band)= -0.038555 trlgG= -0.047875 logG= -0.008985 TDE= -0.056644 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001620 tlogG= -0.006987 logG= -0.008607 Density= 0.036228 ETOT(band)= -0.038108 trlgG= -0.047216 logG= -0.008607 TDE= -0.056536 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004547 ETOT(band)= -0.004731 trlgG= -0.005848 logG= -0.001047 TDE= -0.007051 logGD-logG0= -0.002593 tlogG= -0.012026 logG= -0.014619 Density= 0.053815 ETOT(band)= -0.058500 trlgG= -0.073628 logG= -0.014619 TDE= -0.085640 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001479 tlogG= -0.007807 logG= -0.009287 logGD-logG0= -0.002316 tlogG= -0.011877 logG= -0.014193 Density= 0.035528 ETOT(band)= -0.038902 trlgG= -0.048571 logG= -0.009287 TDE= -0.056865 logGD-logG0= -0.002324 tlogG= -0.011441 logG= -0.013766 Density= 0.053788 ETOT(band)= -0.058038 trlgG= -0.072447 logG= -0.013766 TDE= -0.085299 Density= 0.053614 ETOT(band)= -0.058367 trlgG= -0.073210 logG= -0.014193 TDE= -0.085548 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.024059 logG= -0.029319 Density= 0.107747 ETOT(band)= -0.117002 trlgG= -0.147403 logG= -0.029319 TDE= -0.171402 logGD-logG0= -0.005124 tlogG= -0.023934 logG= -0.029058 Density= 0.108330 ETOT(band)= -0.116553 trlgG= -0.146992 logG= -0.029058 TDE= -0.171541 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004328 tlogG= -0.023962 logG= -0.028290 logGD-logG0= -0.005022 tlogG= -0.022442 logG= -0.027464 Density= 0.106278 ETOT(band)= -0.117051 trlgG= -0.146562 logG= -0.028290 TDE= -0.170864 Density= 0.108303 ETOT(band)= -0.115674 trlgG= -0.144459 logG= -0.027464 TDE= -0.170588 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.020975 logG= -0.025785 logGD-logG0= -0.005054 tlogG= -0.021805 logG= -0.026859 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107889 ETOT(band)= -0.115474 trlgG= -0.143464 logG= -0.026859 TDE= -0.169994 Density= 0.108806 ETOT(band)= -0.114234 trlgG= -0.141571 logG= -0.025785 TDE= -0.169629 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004523 tlogG= -0.024035 logG= -0.028558 Density= 0.106497 ETOT(band)= -0.117083 trlgG= -0.146685 logG= -0.028558 TDE= -0.170827 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.024079 logG= -0.029055 Density= 0.107485 ETOT(band)= -0.116966 trlgG= -0.147026 logG= -0.029055 TDE= -0.171160 logGD-logG0= -0.005293 tlogG= -0.023890 logG= -0.029183 Density= 0.107856 ETOT(band)= -0.116868 trlgG= -0.147188 logG= -0.029183 TDE= -0.171378 logGD-logG0= -0.004940 tlogG= -0.022155 logG= -0.027095 logGD-logG0= -0.005083 tlogG= -0.023200 logG= -0.028283 Density= 0.108295 ETOT(band)= -0.116139 trlgG= -0.145760 logG= -0.028283 TDE= -0.171067 Density= 0.108457 ETOT(band)= -0.115369 trlgG= -0.143852 logG= -0.027095 TDE= -0.170428 logGD-logG0= -0.005113 tlogG= -0.023590 logG= -0.028703 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.023954 logG= -0.029165 Density= 0.107549 ETOT(band)= -0.116987 trlgG= -0.147129 logG= -0.029165 TDE= -0.171185 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.024071 logG= -0.029345 Density= 0.107991 ETOT(band)= -0.116910 trlgG= -0.147468 logG= -0.029345 TDE= -0.171562 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.023856 logG= -0.028967 Density= 0.108304 ETOT(band)= -0.116362 trlgG= -0.146423 logG= -0.028703 TDE= -0.171314 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.021682 logG= -0.026676 Density= 0.108350 ETOT(band)= -0.116488 trlgG= -0.146844 logG= -0.028967 TDE= -0.171494 Density= 0.108031 ETOT(band)= -0.115282 trlgG= -0.143156 logG= -0.026676 TDE= -0.169938 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004813 tlogG= -0.023675 logG= -0.028488 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107483 ETOT(band)= -0.116656 trlgG= -0.146286 logG= -0.028488 TDE= -0.170986 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.023633 logG= -0.028610 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107085 ETOT(band)= -0.116863 trlgG= -0.146183 logG= -0.028610 TDE= -0.170564 logGD-logG0= -0.004690 tlogG= -0.022978 logG= -0.027668 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023748 logG= -0.028885 logGD-logG0= -0.004847 tlogG= -0.022837 logG= -0.027684 Density= 0.107849 ETOT(band)= -0.116029 trlgG= -0.144821 logG= -0.027684 TDE= -0.170506 logGD-logG0= -0.004659 tlogG= -0.023658 logG= -0.028316 Density= 0.106705 ETOT(band)= -0.116890 trlgG= -0.146269 logG= -0.028316 TDE= -0.170756 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108279 ETOT(band)= -0.116478 trlgG= -0.146714 logG= -0.028885 TDE= -0.171411 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106977 ETOT(band)= -0.116424 trlgG= -0.145097 logG= -0.027668 TDE= -0.170366 logGD-logG0= -0.005094 tlogG= -0.022863 logG= -0.027956 logGD-logG0= -0.004996 tlogG= -0.022395 logG= -0.027391 Density= 0.107736 ETOT(band)= -0.115900 trlgG= -0.144337 logG= -0.027391 TDE= -0.170258 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004714 tlogG= -0.023489 logG= -0.028203 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023671 logG= -0.028939 logGD-logG0= -0.004881 tlogG= -0.023883 logG= -0.028764 Density= 0.106865 ETOT(band)= -0.117045 trlgG= -0.146795 logG= -0.028764 TDE= -0.170913 Density= 0.107719 ETOT(band)= -0.116232 trlgG= -0.145231 logG= -0.027956 TDE= -0.170579 Density= 0.107337 ETOT(band)= -0.116935 trlgG= -0.146733 logG= -0.028939 TDE= -0.170910 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004863 tlogG= -0.024055 logG= -0.028918 Density= 0.106880 ETOT(band)= -0.116745 trlgG= -0.145842 logG= -0.028203 TDE= -0.170529 Density= 0.107163 ETOT(band)= -0.117026 trlgG= -0.147051 logG= -0.028918 TDE= -0.171162 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.022719 logG= -0.027736 Density= 0.108348 ETOT(band)= -0.115811 trlgG= -0.144894 logG= -0.027736 TDE= -0.170774 logGD-logG0= -0.005260 tlogG= -0.023854 logG= -0.029115 logGD-logG0= -0.005284 tlogG= -0.023184 logG= -0.028468 Density= 0.108018 ETOT(band)= -0.116738 trlgG= -0.147084 logG= -0.029115 TDE= -0.171422 Density= 0.107786 ETOT(band)= -0.116480 trlgG= -0.146040 logG= -0.028468 TDE= -0.170909 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.022839 logG= -0.027563 Density= 0.107400 ETOT(band)= -0.116172 trlgG= -0.144946 logG= -0.027563 TDE= -0.170530 logGD-logG0= -0.005306 tlogG= -0.024117 logG= -0.029423 Density= 0.107915 ETOT(band)= -0.116998 trlgG= -0.147592 logG= -0.029423 TDE= -0.171571 logGD-logG0= -0.009439 tlogG= -0.045734 logG= -0.055173 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215224 ETOT(band)= -0.232179 trlgG= -0.289795 logG= -0.055173 TDE= -0.341126 logGD-logG0= -0.005298 tlogG= -0.023564 logG= -0.028861 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107903 ETOT(band)= -0.116641 trlgG= -0.146669 logG= -0.028861 TDE= -0.171203 logGD-logG0= -0.004691 tlogG= -0.023673 logG= -0.028364 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107082 ETOT(band)= -0.116774 trlgG= -0.146375 logG= -0.028364 TDE= -0.171001 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009615 tlogG= -0.047132 logG= -0.056747 Density= 0.213980 ETOT(band)= -0.233606 trlgG= -0.292602 logG= -0.056747 TDE= -0.341743 logGD-logG0= -0.009067 tlogG= -0.047609 logG= -0.056676 logGD-logG0= -0.005249 tlogG= -0.024042 logG= -0.029291 Density= 0.108050 ETOT(band)= -0.116843 trlgG= -0.147380 logG= -0.029291 TDE= -0.171557 Density= 0.213142 ETOT(band)= -0.233903 trlgG= -0.292674 logG= -0.056676 TDE= -0.341471 logGD-logG0= -0.009893 tlogG= -0.047873 logG= -0.057767 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214184 ETOT(band)= -0.234049 trlgG= -0.293864 logG= -0.057767 TDE= -0.342087 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.022967 logG= -0.028057 Density= 0.108236 ETOT(band)= -0.116046 trlgG= -0.145405 logG= -0.028057 TDE= -0.170908 logGD-logG0= -0.010333 tlogG= -0.047761 logG= -0.058095 Density= 0.214869 ETOT(band)= -0.233931 trlgG= -0.293841 logG= -0.058095 TDE= -0.342074 logGD-logG0= -0.010130 tlogG= -0.047637 logG= -0.057767 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010505 tlogG= -0.047991 logG= -0.058495 Density= 0.215319 ETOT(band)= -0.233983 trlgG= -0.294549 logG= -0.058495 TDE= -0.342604 Density= 0.214165 ETOT(band)= -0.234037 trlgG= -0.293617 logG= -0.057767 TDE= -0.341829 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010017 tlogG= -0.048003 logG= -0.058020 Density= 0.214745 ETOT(band)= -0.233959 trlgG= -0.293927 logG= -0.058020 TDE= -0.342174 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010272 tlogG= -0.047955 logG= -0.058227 Density= 0.215285 ETOT(band)= -0.233847 trlgG= -0.294105 logG= -0.058227 TDE= -0.342412 logGD-logG0= -0.002396 tlogG= -0.010419 logG= -0.012815 logGD-logG0= -0.010617 tlogG= -0.048122 logG= -0.058739 Density= 0.215634 ETOT(band)= -0.234009 trlgG= -0.294986 logG= -0.058739 TDE= -0.342954 Density= 0.054426 ETOT(band)= -0.057044 trlgG= -0.070646 logG= -0.012815 TDE= -0.084763 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010528 tlogG= -0.047398 logG= -0.057926 Density= 0.215676 ETOT(band)= -0.233481 trlgG= -0.293657 logG= -0.057926 TDE= -0.342458 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009743 tlogG= -0.047198 logG= -0.056941 logGD-logG0= -0.005132 tlogG= -0.023415 logG= -0.028546 logGD-logG0= -0.010550 tlogG= -0.047858 logG= -0.058408 Density= 0.215976 ETOT(band)= -0.233630 trlgG= -0.294462 logG= -0.058408 TDE= -0.342929 Density= 0.108232 ETOT(band)= -0.116316 trlgG= -0.146178 logG= -0.028546 TDE= -0.171190 Density= 0.214688 ETOT(band)= -0.233400 trlgG= -0.292509 logG= -0.056941 TDE= -0.341806 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010469 tlogG= -0.047721 logG= -0.058191 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.048056 logG= -0.058480 Density= 0.214969 ETOT(band)= -0.233938 trlgG= -0.294010 logG= -0.058191 TDE= -0.342197 Density= 0.215282 ETOT(band)= -0.233992 trlgG= -0.294522 logG= -0.058480 TDE= -0.342574 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010044 tlogG= -0.047128 logG= -0.057172 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215360 ETOT(band)= -0.233215 trlgG= -0.292431 logG= -0.057172 TDE= -0.341830 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002455 tlogG= -0.010834 logG= -0.013290 logGD-logG0= -0.010571 tlogG= -0.047497 logG= -0.058067 Density= 0.215908 ETOT(band)= -0.233442 trlgG= -0.293899 logG= -0.058067 TDE= -0.342673 Density= 0.054112 ETOT(band)= -0.057560 trlgG= -0.071491 logG= -0.013290 TDE= -0.084978 logGD-logG0= -0.010496 tlogG= -0.047910 logG= -0.058406 Density= 0.216103 ETOT(band)= -0.233559 trlgG= -0.294461 logG= -0.058406 TDE= -0.342994 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021550 logG= -0.026440 Density= 0.108611 ETOT(band)= -0.114820 trlgG= -0.142726 logG= -0.026440 TDE= -0.170032 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009984 tlogG= -0.043364 logG= -0.053348 Density= 0.216475 ETOT(band)= -0.230353 trlgG= -0.286288 logG= -0.053348 TDE= -0.340063 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001271 tlogG= -0.005980 logG= -0.007251 Density= 0.081138 ETOT(band)= -0.087504 trlgG= -0.110339 logG= -0.007251 TDE= -0.042886 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005852 logG= -0.007120 Density= 0.080727 ETOT(band)= -0.087564 trlgG= -0.110088 logG= -0.007120 TDE= -0.042802 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021287 logG= -0.026178 Density= 0.162797 ETOT(band)= -0.172899 trlgG= -0.215772 logG= -0.026178 TDE= -0.169844 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009398 tlogG= -0.046691 logG= -0.056089 Density= 0.428313 ETOT(band)= -0.465876 trlgG= -0.581433 logG= -0.056089 TDE= -0.341143 logGD-logG0= -0.009549 tlogG= -0.047749 logG= -0.057298 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427606 ETOT(band)= -0.467655 trlgG= -0.585408 logG= -0.057298 TDE= -0.341423 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009595 tlogG= -0.047630 logG= -0.057225 Density= 0.427106 ETOT(band)= -0.468102 trlgG= -0.586552 logG= -0.057225 TDE= -0.341721 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.046374 logG= -0.056261 Density= 0.429947 ETOT(band)= -0.465309 trlgG= -0.581113 logG= -0.056261 TDE= -0.341256 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009926 tlogG= -0.044597 logG= -0.054523 Density= 0.324587 ETOT(band)= -0.346498 trlgG= -0.431662 logG= -0.054523 TDE= -0.340704 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009388 tlogG= -0.047421 logG= -0.056809 Density= 0.214523 ETOT(band)= -0.233438 trlgG= -0.292734 logG= -0.056809 TDE= -0.342083 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.046856 logG= -0.057426 Density= 0.215637 ETOT(band)= -0.233206 trlgG= -0.292858 logG= -0.057426 TDE= -0.342140 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010133 tlogG= -0.046388 logG= -0.056521 Density= 0.215423 ETOT(band)= -0.232815 trlgG= -0.291416 logG= -0.056521 TDE= -0.341497 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010356 tlogG= -0.047288 logG= -0.057644 Density= 0.214475 ETOT(band)= -0.233831 trlgG= -0.293094 logG= -0.057644 TDE= -0.341583 logGD-logG0= -0.009748 tlogG= -0.048217 logG= -0.057965 Density= 0.214615 ETOT(band)= -0.234012 trlgG= -0.294177 logG= -0.057965 TDE= -0.342415 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004274 tlogG= -0.024119 logG= -0.028394 Density= 0.212392 ETOT(band)= -0.234239 trlgG= -0.293473 logG= -0.028394 TDE= -0.170940 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004408 tlogG= -0.023728 logG= -0.028136 Density= 0.213301 ETOT(band)= -0.233456 trlgG= -0.291557 logG= -0.028136 TDE= -0.170742 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001183 tlogG= -0.005168 logG= -0.006351 Density= 0.062601 ETOT(band)= -0.067508 trlgG= -0.084149 logG= -0.006351 TDE= -0.042350 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001565 tlogG= -0.007584 logG= -0.009149 Density= 0.071566 ETOT(band)= -0.077307 trlgG= -0.096089 logG= -0.009149 TDE= -0.056725 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004894 tlogG= -0.022462 logG= -0.027356 Density= 0.215226 ETOT(band)= -0.231544 trlgG= -0.287847 logG= -0.027356 TDE= -0.170143 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001425 tlogG= -0.007961 logG= -0.009386 Density= 0.070939 ETOT(band)= -0.077906 trlgG= -0.097383 logG= -0.009386 TDE= -0.056950 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004464 tlogG= -0.023575 logG= -0.028039 Density= 0.212836 ETOT(band)= -0.233861 trlgG= -0.292528 logG= -0.028039 TDE= -0.170658 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007112 logG= -0.008800 Density= 0.072295 ETOT(band)= -0.076442 trlgG= -0.094779 logG= -0.008800 TDE= -0.056611 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001577 tlogG= -0.006869 logG= -0.008446 logGD-logG0= -0.004577 tlogG= -0.023879 logG= -0.028456 Density= 0.213497 ETOT(band)= -0.233730 trlgG= -0.292285 logG= -0.028456 TDE= -0.170746 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040884 ETOT(band)= -0.042653 trlgG= -0.052763 logG= -0.008446 TDE= -0.056451 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004943 tlogG= -0.022894 logG= -0.027838 Density= 0.215003 ETOT(band)= -0.232277 trlgG= -0.289487 logG= -0.027838 TDE= -0.170394 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.021192 logG= -0.026124 Density= 0.216543 ETOT(band)= -0.229925 trlgG= -0.285347 logG= -0.026124 TDE= -0.169764 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005304 logG= -0.006505 Density= 0.081630 ETOT(band)= -0.085645 trlgG= -0.106141 logG= -0.006505 TDE= -0.042452 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021336 logG= -0.026310 Density= 0.217214 ETOT(band)= -0.229067 trlgG= -0.284093 logG= -0.026310 TDE= -0.169858 logGD-logG0= -0.004928 tlogG= -0.022279 logG= -0.027207 Density= 0.214468 ETOT(band)= -0.232317 trlgG= -0.289241 logG= -0.027207 TDE= -0.170130 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005935 logG= -0.007208 Density= 0.080910 ETOT(band)= -0.087600 trlgG= -0.110285 logG= -0.007208 TDE= -0.042857 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005744 logG= -0.006998 Density= 0.080714 ETOT(band)= -0.087350 trlgG= -0.109534 logG= -0.006998 TDE= -0.042737 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.021865 logG= -0.026928 Density= 0.216824 ETOT(band)= -0.230171 trlgG= -0.286293 logG= -0.026928 TDE= -0.170189 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001233 tlogG= -0.005616 logG= -0.006849 Density= 0.080914 ETOT(band)= -0.086923 trlgG= -0.108533 logG= -0.006849 TDE= -0.042661 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.023985 logG= -0.029191 Density= 0.215895 ETOT(band)= -0.233730 trlgG= -0.294615 logG= -0.029191 TDE= -0.171539 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023783 logG= -0.029022 Density= 0.215544 ETOT(band)= -0.233635 trlgG= -0.293962 logG= -0.029022 TDE= -0.171386 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.023470 logG= -0.028699 Density= 0.215424 ETOT(band)= -0.233201 trlgG= -0.292700 logG= -0.028699 TDE= -0.171129 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023984 logG= -0.029153 Density= 0.216559 ETOT(band)= -0.233216 trlgG= -0.294144 logG= -0.029153 TDE= -0.171556 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.024106 logG= -0.029403 Density= 0.215928 ETOT(band)= -0.233885 trlgG= -0.295029 logG= -0.029403 TDE= -0.171571 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.023832 logG= -0.028884 Density= 0.215705 ETOT(band)= -0.233631 trlgG= -0.294064 logG= -0.028884 TDE= -0.171074 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023399 logG= -0.028588 Density= 0.216401 ETOT(band)= -0.232535 trlgG= -0.292002 logG= -0.028588 TDE= -0.171150 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.024143 logG= -0.029138 Density= 0.214954 ETOT(band)= -0.234037 trlgG= -0.294316 logG= -0.029138 TDE= -0.171198 logGD-logG0= -0.004551 tlogG= -0.023961 logG= -0.028512 Density= 0.213027 ETOT(band)= -0.234137 trlgG= -0.293275 logG= -0.028512 TDE= -0.170795 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010646 tlogG= -0.048012 logG= -0.058658 logGD-logG0= -0.005162 tlogG= -0.023941 logG= -0.029103 logGD-logG0= -0.005182 tlogG= -0.023746 logG= -0.028928 Density= 0.216482 ETOT(band)= -0.232914 trlgG= -0.293208 logG= -0.028928 TDE= -0.171389 Density= 0.323562 ETOT(band)= -0.350793 trlgG= -0.442048 logG= -0.058658 TDE= -0.342944 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010132 tlogG= -0.045606 logG= -0.055738 Density= 0.216593 ETOT(band)= -0.233112 trlgG= -0.293912 logG= -0.029103 TDE= -0.171530 Density= 0.324348 ETOT(band)= -0.347765 trlgG= -0.434667 logG= -0.055738 TDE= -0.341381 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.022426 logG= -0.027524 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.024072 logG= -0.029296 Density= 0.216570 ETOT(band)= -0.231167 trlgG= -0.288406 logG= -0.027524 TDE= -0.170529 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323378 ETOT(band)= -0.351000 trlgG= -0.442349 logG= -0.029296 TDE= -0.171384 logGD-logG0= -0.005346 tlogG= -0.023882 logG= -0.029228 logGD-logG0= -0.004890 tlogG= -0.023872 logG= -0.028762 Density= 0.214003 ETOT(band)= -0.233878 trlgG= -0.292791 logG= -0.028762 TDE= -0.170755 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215854 ETOT(band)= -0.233633 trlgG= -0.294344 logG= -0.029228 TDE= -0.171394 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.023943 logG= -0.028998 Density= 0.214554 ETOT(band)= -0.233964 trlgG= -0.293700 logG= -0.028998 TDE= -0.171025 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004761 tlogG= -0.023231 logG= -0.027991 logGD-logG0= -0.010368 tlogG= -0.047755 logG= -0.058122 Density= 0.213713 ETOT(band)= -0.233485 trlgG= -0.292014 logG= -0.027991 TDE= -0.170707 logGD-logG0= -0.005007 tlogG= -0.023232 logG= -0.028239 Density= 0.324657 ETOT(band)= -0.349728 trlgG= -0.440714 logG= -0.058122 TDE= -0.342953 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322021 ETOT(band)= -0.350372 trlgG= -0.439299 logG= -0.028239 TDE= -0.170816 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004716 tlogG= -0.023993 logG= -0.028709 Density= 0.214335 ETOT(band)= -0.233954 trlgG= -0.293918 logG= -0.028709 TDE= -0.171192 logGD-logG0= -0.004811 tlogG= -0.023822 logG= -0.028634 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009639 tlogG= -0.046579 logG= -0.056218 Density= 0.323016 ETOT(band)= -0.348827 trlgG= -0.436099 logG= -0.056218 TDE= -0.341535 Density= 0.213789 ETOT(band)= -0.234015 trlgG= -0.293528 logG= -0.028634 TDE= -0.171010 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.022953 logG= -0.028114 Density= 0.216427 ETOT(band)= -0.231962 trlgG= -0.290388 logG= -0.028114 TDE= -0.170863 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023184 logG= -0.028328 Density= 0.215076 ETOT(band)= -0.232829 trlgG= -0.291013 logG= -0.028328 TDE= -0.170580 logGD-logG0= -0.005020 tlogG= -0.024149 logG= -0.029169 logGD-logG0= -0.005411 tlogG= -0.023343 logG= -0.028754 Density= 0.215316 ETOT(band)= -0.233227 trlgG= -0.292506 logG= -0.028754 TDE= -0.170924 Density= 0.322759 ETOT(band)= -0.351027 trlgG= -0.441700 logG= -0.029169 TDE= -0.171194 logGD-logG0= -0.005394 tlogG= -0.023668 logG= -0.029062 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215616 ETOT(band)= -0.233485 trlgG= -0.293646 logG= -0.029062 TDE= -0.171217 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009594 tlogG= -0.047812 logG= -0.057406 logGD-logG0= -0.008905 tlogG= -0.048073 logG= -0.056978 Density= 0.428467 ETOT(band)= -0.467892 trlgG= -0.587422 logG= -0.057406 TDE= -0.342190 Density= 0.425970 ETOT(band)= -0.468074 trlgG= -0.586039 logG= -0.056978 TDE= -0.341705 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010265 tlogG= -0.047930 logG= -0.058195 Density= 0.429630 ETOT(band)= -0.467969 trlgG= -0.587835 logG= -0.058195 TDE= -0.342074 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010229 tlogG= -0.048196 logG= -0.058425 Density= 0.430461 ETOT(band)= -0.468013 trlgG= -0.588958 logG= -0.058425 TDE= -0.342448 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.023941 logG= -0.029272 Density= 0.323973 ETOT(band)= -0.350469 trlgG= -0.441797 logG= -0.029272 TDE= -0.171443 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009459 tlogG= -0.046580 logG= -0.056039 Density= 0.428521 ETOT(band)= -0.466595 trlgG= -0.584036 logG= -0.056039 TDE= -0.341560 logGD-logG0= -0.009769 tlogG= -0.047827 logG= -0.057596 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429562 ETOT(band)= -0.467671 trlgG= -0.587399 logG= -0.057596 TDE= -0.342178 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010607 tlogG= -0.047705 logG= -0.058312 Density= 0.431169 ETOT(band)= -0.467270 trlgG= -0.587923 logG= -0.058312 TDE= -0.342590 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010096 tlogG= -0.048122 logG= -0.058218 Density= 0.429726 ETOT(band)= -0.468007 trlgG= -0.588193 logG= -0.058218 TDE= -0.342237 logGD-logG0= -0.010411 tlogG= -0.046384 logG= -0.056795 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324303 ETOT(band)= -0.348706 trlgG= -0.437282 logG= -0.056795 TDE= -0.342004 logGD-logG0= -0.010439 tlogG= -0.048046 logG= -0.058484 Density= 0.430566 ETOT(band)= -0.467843 trlgG= -0.588631 logG= -0.058484 TDE= -0.342573 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009950 tlogG= -0.047532 logG= -0.057482 Density= 0.429033 ETOT(band)= -0.467224 trlgG= -0.585799 logG= -0.057482 TDE= -0.341876 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010718 tlogG= -0.047661 logG= -0.058379 Density= 0.431509 ETOT(band)= -0.467215 trlgG= -0.588285 logG= -0.058379 TDE= -0.342697 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010642 tlogG= -0.047985 logG= -0.058628 Density= 0.431750 ETOT(band)= -0.467497 trlgG= -0.589276 logG= -0.058628 TDE= -0.342962 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010414 tlogG= -0.047204 logG= -0.057618 Density= 0.324440 ETOT(band)= -0.349361 trlgG= -0.439366 logG= -0.057618 TDE= -0.342561 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047545 logG= -0.057737 Density= 0.430429 ETOT(band)= -0.466867 trlgG= -0.585728 logG= -0.057737 TDE= -0.341987 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.022314 logG= -0.027130 Density= 0.323180 ETOT(band)= -0.347799 trlgG= -0.433714 logG= -0.027130 TDE= -0.170211 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004630 tlogG= -0.023357 logG= -0.027987 Density= 0.214395 ETOT(band)= -0.233244 trlgG= -0.292129 logG= -0.027987 TDE= -0.170871 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005464 logG= -0.006685 Density= 0.081274 ETOT(band)= -0.086312 trlgG= -0.107298 logG= -0.006685 TDE= -0.042563 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004775 tlogG= -0.022314 logG= -0.027089 Density= 0.215233 ETOT(band)= -0.231832 trlgG= -0.288890 logG= -0.027089 TDE= -0.170216 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009776 tlogG= -0.044599 logG= -0.054375 Density= 0.432009 ETOT(band)= -0.461848 trlgG= -0.574347 logG= -0.054375 TDE= -0.340341 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004662 tlogG= -0.023354 logG= -0.028016 Density= 0.321953 ETOT(band)= -0.349867 trlgG= -0.438451 logG= -0.028016 TDE= -0.170863 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004749 tlogG= -0.023992 logG= -0.028741 Density= 0.321887 ETOT(band)= -0.350911 trlgG= -0.441023 logG= -0.028741 TDE= -0.171188 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010205 tlogG= -0.047643 logG= -0.057848 Density= 0.428719 ETOT(band)= -0.467877 trlgG= -0.586754 logG= -0.057848 TDE= -0.341831 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010269 tlogG= -0.046905 logG= -0.057174 Density= 0.430297 ETOT(band)= -0.466222 trlgG= -0.583802 logG= -0.057174 TDE= -0.341542 logGD-logG0= -0.010667 tlogG= -0.047244 logG= -0.057911 Density= 0.430899 ETOT(band)= -0.466847 trlgG= -0.586453 logG= -0.057911 TDE= -0.342207 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.644128493506 eV TrLogG= -407.126222477699 eV Ratio to renormalize= 0.999057606261 rho-rho_expected= 0.020752219025 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964643230874176 0.940380359878086 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001397 tlogG= -0.008043 logG= -0.009440 Density= 0.035351 ETOT(band)= -0.039060 trlgG= -0.048944 logG= -0.009440 TDE= -0.056997 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004326 tlogG= -0.023971 logG= -0.028296 Density= 0.106283 ETOT(band)= -0.117073 trlgG= -0.146593 logG= -0.028296 TDE= -0.170890 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004993 tlogG= -0.022404 logG= -0.027397 Density= 0.107742 ETOT(band)= -0.115920 trlgG= -0.144365 logG= -0.027397 TDE= -0.170284 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004688 tlogG= -0.022986 logG= -0.027674 logGD-logG0= -0.004713 tlogG= -0.023497 logG= -0.028209 Density= 0.106885 ETOT(band)= -0.116766 trlgG= -0.145872 logG= -0.028209 TDE= -0.170555 Density= 0.106982 ETOT(band)= -0.116445 trlgG= -0.145126 logG= -0.027674 TDE= -0.170392 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002394 tlogG= -0.010423 logG= -0.012818 Density= 0.054429 ETOT(band)= -0.057053 trlgG= -0.070659 logG= -0.012818 TDE= -0.084776 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004886 tlogG= -0.021559 logG= -0.026445 Density= 0.108618 ETOT(band)= -0.114839 trlgG= -0.142752 logG= -0.026445 TDE= -0.170057 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004806 tlogG= -0.020984 logG= -0.025790 Density= 0.108813 ETOT(band)= -0.114252 trlgG= -0.141597 logG= -0.025790 TDE= -0.169653 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002315 tlogG= -0.011881 logG= -0.014196 Density= 0.053617 ETOT(band)= -0.058378 trlgG= -0.073224 logG= -0.014196 TDE= -0.085561 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004547 ETOT(band)= -0.004731 trlgG= -0.005849 logG= -0.001047 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004522 tlogG= -0.024042 logG= -0.028564 Density= 0.106502 ETOT(band)= -0.117105 trlgG= -0.146715 logG= -0.028564 TDE= -0.170853 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002592 tlogG= -0.012030 logG= -0.014622 Density= 0.053819 ETOT(band)= -0.058510 trlgG= -0.073643 logG= -0.014622 TDE= -0.085653 logGD-logG0= -0.002410 tlogG= -0.012080 logG= -0.014489 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002323 tlogG= -0.011446 logG= -0.013768 Density= 0.053641 ETOT(band)= -0.058521 trlgG= -0.073586 logG= -0.014489 TDE= -0.085641 Density= 0.053791 ETOT(band)= -0.058048 trlgG= -0.072462 logG= -0.013768 TDE= -0.085312 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001479 tlogG= -0.007810 logG= -0.009289 Density= 0.035529 ETOT(band)= -0.038910 trlgG= -0.048581 logG= -0.009289 TDE= -0.056874 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023640 logG= -0.028616 Density= 0.107091 ETOT(band)= -0.116884 trlgG= -0.146213 logG= -0.028616 TDE= -0.170591 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.022728 logG= -0.027742 Density= 0.108355 ETOT(band)= -0.115830 trlgG= -0.144922 logG= -0.027742 TDE= -0.170800 logGD-logG0= -0.004688 tlogG= -0.023682 logG= -0.028370 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107088 ETOT(band)= -0.116795 trlgG= -0.146405 logG= -0.028370 TDE= -0.171027 logGD-logG0= -0.005091 tlogG= -0.022871 logG= -0.027962 logGD-logG0= -0.004860 tlogG= -0.024064 logG= -0.028924 Density= 0.107170 ETOT(band)= -0.117047 trlgG= -0.147080 logG= -0.028924 TDE= -0.171189 Density= 0.107725 ETOT(band)= -0.116252 trlgG= -0.145260 logG= -0.027962 TDE= -0.170605 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.022452 logG= -0.027470 logGD-logG0= -0.002550 tlogG= -0.011981 logG= -0.014531 Density= 0.108310 ETOT(band)= -0.115693 trlgG= -0.144486 logG= -0.027470 TDE= -0.170613 Density= 0.054192 ETOT(band)= -0.058274 trlgG= -0.073508 logG= -0.014531 TDE= -0.085794 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004299 tlogG= -0.024048 logG= -0.028346 Density= 0.106231 ETOT(band)= -0.117117 trlgG= -0.146706 logG= -0.028346 TDE= -0.170928 logGD-logG0= -0.005258 tlogG= -0.024067 logG= -0.029325 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107755 ETOT(band)= -0.117021 trlgG= -0.147432 logG= -0.029325 TDE= -0.171430 logGD-logG0= -0.004936 tlogG= -0.022164 logG= -0.027100 Density= 0.108465 ETOT(band)= -0.115388 trlgG= -0.143879 logG= -0.027100 TDE= -0.170453 logGD-logG0= -0.005127 tlogG= -0.023425 logG= -0.028552 Density= 0.108239 ETOT(band)= -0.116335 trlgG= -0.146206 logG= -0.028552 TDE= -0.171216 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.022977 logG= -0.028062 logGD-logG0= -0.005132 tlogG= -0.023758 logG= -0.028890 Density= 0.108287 ETOT(band)= -0.116497 trlgG= -0.146742 logG= -0.028890 TDE= -0.171437 Density= 0.108243 ETOT(band)= -0.116065 trlgG= -0.145432 logG= -0.028062 TDE= -0.170934 logGD-logG0= -0.005119 tlogG= -0.023944 logG= -0.029063 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108338 ETOT(band)= -0.116571 trlgG= -0.147020 logG= -0.029063 TDE= -0.171567 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.023210 logG= -0.028288 logGD-logG0= -0.005109 tlogG= -0.023600 logG= -0.028708 logGD-logG0= -0.005106 tlogG= -0.023866 logG= -0.028972 Density= 0.108302 ETOT(band)= -0.116158 trlgG= -0.145788 logG= -0.028288 TDE= -0.171093 Density= 0.108358 ETOT(band)= -0.116507 trlgG= -0.146871 logG= -0.028972 TDE= -0.171520 Density= 0.108312 ETOT(band)= -0.116381 trlgG= -0.146451 logG= -0.028708 TDE= -0.171340 logGD-logG0= -0.004601 tlogG= -0.023202 logG= -0.027803 Density= 0.106847 ETOT(band)= -0.116576 trlgG= -0.145389 logG= -0.027803 TDE= -0.170459 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002618 tlogG= -0.011985 logG= -0.014603 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023684 logG= -0.028493 Density= 0.107490 ETOT(band)= -0.116676 trlgG= -0.146315 logG= -0.028493 TDE= -0.171012 Density= 0.054038 ETOT(band)= -0.058394 trlgG= -0.073628 logG= -0.014603 TDE= -0.085766 logGD-logG0= -0.005209 tlogG= -0.023962 logG= -0.029171 Density= 0.107556 ETOT(band)= -0.117007 trlgG= -0.147159 logG= -0.029171 TDE= -0.171212 logGD-logG0= -0.005301 tlogG= -0.024128 logG= -0.029429 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004657 tlogG= -0.023665 logG= -0.028323 Density= 0.107923 ETOT(band)= -0.117017 trlgG= -0.147621 logG= -0.029429 TDE= -0.171598 Density= 0.106711 ETOT(band)= -0.116912 trlgG= -0.146299 logG= -0.028323 TDE= -0.170782 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023679 logG= -0.028945 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023898 logG= -0.029189 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107863 ETOT(band)= -0.116888 trlgG= -0.147217 logG= -0.029189 TDE= -0.171405 Density= 0.107344 ETOT(band)= -0.116955 trlgG= -0.146763 logG= -0.028945 TDE= -0.170937 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.023890 logG= -0.028770 Density= 0.106871 ETOT(band)= -0.117066 trlgG= -0.146825 logG= -0.028770 TDE= -0.170940 logGD-logG0= -0.002454 tlogG= -0.010839 logG= -0.013292 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054116 ETOT(band)= -0.057570 trlgG= -0.071504 logG= -0.013292 TDE= -0.084991 logGD-logG0= -0.004844 tlogG= -0.022845 logG= -0.027690 Density= 0.107856 ETOT(band)= -0.116048 trlgG= -0.144849 logG= -0.027690 TDE= -0.170532 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005282 tlogG= -0.023192 logG= -0.028474 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107793 ETOT(band)= -0.116500 trlgG= -0.146068 logG= -0.028474 TDE= -0.170936 logGD-logG0= -0.004973 tlogG= -0.024088 logG= -0.029061 Density= 0.107492 ETOT(band)= -0.116986 trlgG= -0.147055 logG= -0.029061 TDE= -0.171186 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023865 logG= -0.029120 Density= 0.108026 ETOT(band)= -0.116757 trlgG= -0.147112 logG= -0.029120 TDE= -0.171449 logGD-logG0= -0.004721 tlogG= -0.022847 logG= -0.027569 Density= 0.107406 ETOT(band)= -0.116193 trlgG= -0.144975 logG= -0.027569 TDE= -0.170556 logGD-logG0= -0.005244 tlogG= -0.024053 logG= -0.029297 logGD-logG0= -0.009433 tlogG= -0.045752 logG= -0.055184 Density= 0.215236 ETOT(band)= -0.232219 trlgG= -0.289852 logG= -0.055184 TDE= -0.341178 Density= 0.108058 ETOT(band)= -0.116863 trlgG= -0.147408 logG= -0.029297 TDE= -0.171584 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009742 tlogG= -0.048235 logG= -0.057977 Density= 0.214628 ETOT(band)= -0.234053 trlgG= -0.294236 logG= -0.057977 TDE= -0.342468 logGD-logG0= -0.005293 tlogG= -0.023574 logG= -0.028867 Density= 0.107911 ETOT(band)= -0.116661 trlgG= -0.146697 logG= -0.028867 TDE= -0.171230 logGD-logG0= -0.009712 tlogG= -0.045582 logG= -0.055293 Density= 0.214582 ETOT(band)= -0.232569 trlgG= -0.290029 logG= -0.055293 TDE= -0.340922 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009064 tlogG= -0.047625 logG= -0.056689 Density= 0.213152 ETOT(band)= -0.233947 trlgG= -0.292733 logG= -0.056689 TDE= -0.341523 logGD-logG0= -0.009609 tlogG= -0.047151 logG= -0.056760 Density= 0.213992 ETOT(band)= -0.233648 trlgG= -0.292662 logG= -0.056760 TDE= -0.341796 logGD-logG0= -0.009887 tlogG= -0.047892 logG= -0.057779 Density= 0.214197 ETOT(band)= -0.234091 trlgG= -0.293923 logG= -0.057779 TDE= -0.342139 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009492 tlogG= -0.047925 logG= -0.057417 Density= 0.213501 ETOT(band)= -0.234154 trlgG= -0.293374 logG= -0.057417 TDE= -0.341609 logGD-logG0= -0.010464 tlogG= -0.047739 logG= -0.058203 Density= 0.214983 ETOT(band)= -0.233978 trlgG= -0.294070 logG= -0.058203 TDE= -0.342251 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009382 tlogG= -0.047439 logG= -0.056821 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214536 ETOT(band)= -0.233479 trlgG= -0.292793 logG= -0.056821 TDE= -0.342135 logGD-logG0= -0.010267 tlogG= -0.047972 logG= -0.058239 Density= 0.215299 ETOT(band)= -0.233887 trlgG= -0.294164 logG= -0.058239 TDE= -0.342466 logGD-logG0= -0.009767 tlogG= -0.047149 logG= -0.056916 Density= 0.214003 ETOT(band)= -0.233692 trlgG= -0.292454 logG= -0.056916 TDE= -0.341437 logGD-logG0= -0.010419 tlogG= -0.048073 logG= -0.058492 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215297 ETOT(band)= -0.234032 trlgG= -0.294581 logG= -0.058492 TDE= -0.342628 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001684 tlogG= -0.007303 logG= -0.008987 logGD-logG0= -0.010328 tlogG= -0.047779 logG= -0.058107 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214883 ETOT(band)= -0.233971 trlgG= -0.293900 logG= -0.058107 TDE= -0.342128 logGD-logG0= -0.001619 tlogG= -0.006990 logG= -0.008608 Density= 0.036230 ETOT(band)= -0.038114 trlgG= -0.047224 logG= -0.008608 TDE= -0.056545 logGD-logG0= -0.010127 tlogG= -0.047653 logG= -0.057779 logGD-logG0= -0.009816 tlogG= -0.045641 logG= -0.055457 Density= 0.215368 ETOT(band)= -0.232295 trlgG= -0.289844 logG= -0.055457 TDE= -0.340961 Density= 0.214177 ETOT(band)= -0.234078 trlgG= -0.293676 logG= -0.057779 TDE= -0.341882 Density= 0.035879 ETOT(band)= -0.038562 trlgG= -0.047884 logG= -0.008987 TDE= -0.056652 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010486 tlogG= -0.047931 logG= -0.058417 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216119 ETOT(band)= -0.233597 trlgG= -0.294518 logG= -0.058417 TDE= -0.343047 logGD-logG0= -0.010500 tlogG= -0.048007 logG= -0.058507 Density= 0.215334 ETOT(band)= -0.234023 trlgG= -0.294607 logG= -0.058507 TDE= -0.342658 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010128 tlogG= -0.046404 logG= -0.056532 Density= 0.215436 ETOT(band)= -0.232855 trlgG= -0.291473 logG= -0.056532 TDE= -0.341550 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010354 tlogG= -0.047302 logG= -0.057656 Density= 0.214488 ETOT(band)= -0.233872 trlgG= -0.293152 logG= -0.057656 TDE= -0.341636 logGD-logG0= -0.010011 tlogG= -0.048021 logG= -0.058032 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214759 ETOT(band)= -0.234000 trlgG= -0.293985 logG= -0.058032 TDE= -0.342226 logGD-logG0= -0.010523 tlogG= -0.047414 logG= -0.057937 Density= 0.215691 ETOT(band)= -0.233521 trlgG= -0.293715 logG= -0.057937 TDE= -0.342512 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010561 tlogG= -0.047518 logG= -0.058079 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.046871 logG= -0.057438 Density= 0.215652 ETOT(band)= -0.233245 trlgG= -0.292915 logG= -0.057438 TDE= -0.342193 logGD-logG0= -0.004576 tlogG= -0.023887 logG= -0.028462 Density= 0.213508 ETOT(band)= -0.233773 trlgG= -0.292344 logG= -0.028462 TDE= -0.170772 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004462 tlogG= -0.023583 logG= -0.028045 Density= 0.212846 ETOT(band)= -0.233905 trlgG= -0.292589 logG= -0.028045 TDE= -0.170684 Density= 0.215923 ETOT(band)= -0.233481 trlgG= -0.293956 logG= -0.058079 TDE= -0.342726 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005170 logG= -0.006352 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010541 tlogG= -0.047879 logG= -0.058420 Density= 0.062604 ETOT(band)= -0.067520 trlgG= -0.084166 logG= -0.006352 TDE= -0.042357 Density= 0.215991 ETOT(band)= -0.233669 trlgG= -0.294519 logG= -0.058420 TDE= -0.342983 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.022902 logG= -0.027843 Density= 0.215015 ETOT(band)= -0.232318 trlgG= -0.289545 logG= -0.027843 TDE= -0.170420 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047216 logG= -0.056953 Density= 0.214701 ETOT(band)= -0.233441 trlgG= -0.292567 logG= -0.056953 TDE= -0.341858 logGD-logG0= -0.010039 tlogG= -0.047144 logG= -0.057183 Density= 0.215374 ETOT(band)= -0.233255 trlgG= -0.292489 logG= -0.057183 TDE= -0.341883 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.024081 logG= -0.029350 Density= 0.107999 ETOT(band)= -0.116930 trlgG= -0.147496 logG= -0.029350 TDE= -0.171589 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.021869 logG= -0.026841 Density= 0.108429 ETOT(band)= -0.115204 trlgG= -0.143431 logG= -0.026841 TDE= -0.170246 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001200 tlogG= -0.005306 logG= -0.006506 Density= 0.081636 ETOT(band)= -0.085659 trlgG= -0.106160 logG= -0.006506 TDE= -0.042458 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.021813 logG= -0.026864 Density= 0.107895 ETOT(band)= -0.115493 trlgG= -0.143492 logG= -0.026864 TDE= -0.170020 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004991 tlogG= -0.021690 logG= -0.026681 Density= 0.108037 ETOT(band)= -0.115301 trlgG= -0.143183 logG= -0.026681 TDE= -0.169964 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009977 tlogG= -0.043381 logG= -0.053358 Density= 0.216489 ETOT(band)= -0.230392 trlgG= -0.286342 logG= -0.053358 TDE= -0.340114 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004925 tlogG= -0.022288 logG= -0.027212 Density= 0.214479 ETOT(band)= -0.232359 trlgG= -0.289299 logG= -0.027212 TDE= -0.170156 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004970 tlogG= -0.021345 logG= -0.026315 Density= 0.217228 ETOT(band)= -0.229104 trlgG= -0.284145 logG= -0.026315 TDE= -0.169883 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005058 tlogG= -0.021874 logG= -0.026933 Density= 0.216838 ETOT(band)= -0.230209 trlgG= -0.286347 logG= -0.026933 TDE= -0.170215 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010613 tlogG= -0.048138 logG= -0.058750 Density= 0.215649 ETOT(band)= -0.234048 trlgG= -0.295045 logG= -0.058750 TDE= -0.343008 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001232 tlogG= -0.005618 logG= -0.006850 Density= 0.080919 ETOT(band)= -0.086937 trlgG= -0.108554 logG= -0.006850 TDE= -0.042667 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.022434 logG= -0.027529 Density= 0.216584 ETOT(band)= -0.231205 trlgG= -0.288461 logG= -0.027529 TDE= -0.170555 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023409 logG= -0.028594 Density= 0.216417 ETOT(band)= -0.232573 trlgG= -0.292057 logG= -0.028594 TDE= -0.171176 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.023952 logG= -0.029004 Density= 0.214567 ETOT(band)= -0.234005 trlgG= -0.293759 logG= -0.029004 TDE= -0.171052 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023240 logG= -0.027997 Density= 0.213723 ETOT(band)= -0.233527 trlgG= -0.292074 logG= -0.027997 TDE= -0.170733 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004808 tlogG= -0.023832 logG= -0.028640 Density= 0.213801 ETOT(band)= -0.234057 trlgG= -0.293588 logG= -0.028640 TDE= -0.171037 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023351 logG= -0.028760 Density= 0.215330 ETOT(band)= -0.233267 trlgG= -0.292564 logG= -0.028760 TDE= -0.170950 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001253 tlogG= -0.005746 logG= -0.006999 Density= 0.080719 ETOT(band)= -0.087365 trlgG= -0.109556 logG= -0.006999 TDE= -0.042743 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004772 tlogG= -0.022322 logG= -0.027094 Density= 0.215245 ETOT(band)= -0.231872 trlgG= -0.288947 logG= -0.027094 TDE= -0.170242 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004550 tlogG= -0.023969 logG= -0.028519 Density= 0.213037 ETOT(band)= -0.234180 trlgG= -0.293335 logG= -0.028519 TDE= -0.170821 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.023879 logG= -0.028768 Density= 0.214015 ETOT(band)= -0.233919 trlgG= -0.292851 logG= -0.028768 TDE= -0.170781 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022962 logG= -0.028119 Density= 0.216442 ETOT(band)= -0.232001 trlgG= -0.290443 logG= -0.028119 TDE= -0.170889 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004713 tlogG= -0.024002 logG= -0.028716 Density= 0.214348 ETOT(band)= -0.233996 trlgG= -0.293977 logG= -0.028716 TDE= -0.171219 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023191 logG= -0.028334 logGD-logG0= -0.001267 tlogG= -0.005854 logG= -0.007121 Density= 0.215089 ETOT(band)= -0.232869 trlgG= -0.291071 logG= -0.028334 TDE= -0.170606 Density= 0.080732 ETOT(band)= -0.087579 trlgG= -0.110110 logG= -0.007121 TDE= -0.042809 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005938 logG= -0.007209 Density= 0.080915 ETOT(band)= -0.087615 trlgG= -0.110307 logG= -0.007209 TDE= -0.042863 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004627 tlogG= -0.023366 logG= -0.027993 Density= 0.214407 ETOT(band)= -0.233286 trlgG= -0.292188 logG= -0.027993 TDE= -0.170897 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023996 logG= -0.029196 Density= 0.215910 ETOT(band)= -0.233769 trlgG= -0.294673 logG= -0.029196 TDE= -0.171565 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001219 tlogG= -0.005467 logG= -0.006686 logGD-logG0= -0.001424 tlogG= -0.007964 logG= -0.009388 Density= 0.081279 ETOT(band)= -0.086326 trlgG= -0.107318 logG= -0.006686 TDE= -0.042570 Density= 0.070942 ETOT(band)= -0.077920 trlgG= -0.097404 logG= -0.009388 TDE= -0.056958 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005227 tlogG= -0.023478 logG= -0.028705 Density= 0.215438 ETOT(band)= -0.233241 trlgG= -0.292757 logG= -0.028705 TDE= -0.171156 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005982 logG= -0.007253 Density= 0.081144 ETOT(band)= -0.087518 trlgG= -0.110360 logG= -0.007253 TDE= -0.042893 logGD-logG0= -0.005049 tlogG= -0.023841 logG= -0.028890 logGD-logG0= -0.005234 tlogG= -0.023794 logG= -0.029028 Density= 0.215559 ETOT(band)= -0.233674 trlgG= -0.294019 logG= -0.029028 TDE= -0.171413 Density= 0.215720 ETOT(band)= -0.233670 trlgG= -0.294122 logG= -0.028890 TDE= -0.171101 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004273 tlogG= -0.024128 logG= -0.028400 Density= 0.212401 ETOT(band)= -0.234283 trlgG= -0.293535 logG= -0.028400 TDE= -0.170967 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023994 logG= -0.029158 Density= 0.216576 ETOT(band)= -0.233254 trlgG= -0.294200 logG= -0.029158 TDE= -0.171583 logGD-logG0= -0.010127 tlogG= -0.045621 logG= -0.055749 Density= 0.324369 ETOT(band)= -0.347823 trlgG= -0.434750 logG= -0.055749 TDE= -0.341433 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004746 tlogG= -0.024001 logG= -0.028747 Density= 0.321906 ETOT(band)= -0.350973 trlgG= -0.441110 logG= -0.028747 TDE= -0.171214 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004659 tlogG= -0.023363 logG= -0.028022 Density= 0.321971 ETOT(band)= -0.349929 trlgG= -0.438539 logG= -0.028022 TDE= -0.170889 logGD-logG0= -0.005158 tlogG= -0.023951 logG= -0.029108 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216609 ETOT(band)= -0.233150 trlgG= -0.293968 logG= -0.029108 TDE= -0.171556 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023756 logG= -0.028934 Density= 0.216498 ETOT(band)= -0.232952 trlgG= -0.293263 logG= -0.028934 TDE= -0.171415 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.006872 logG= -0.008447 logGD-logG0= -0.004992 tlogG= -0.024152 logG= -0.029144 logGD-logG0= -0.010358 tlogG= -0.047775 logG= -0.058133 Density= 0.214968 ETOT(band)= -0.234077 trlgG= -0.294375 logG= -0.029144 TDE= -0.171225 Density= 0.040886 ETOT(band)= -0.042660 trlgG= -0.052773 logG= -0.008447 TDE= -0.056459 Density= 0.324682 ETOT(band)= -0.349785 trlgG= -0.440798 logG= -0.058133 TDE= -0.343006 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004406 tlogG= -0.023736 logG= -0.028143 Density= 0.213311 ETOT(band)= -0.233499 trlgG= -0.291617 logG= -0.028143 TDE= -0.170769 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.023892 logG= -0.029234 logGD-logG0= -0.010404 tlogG= -0.047224 logG= -0.057629 Density= 0.215869 ETOT(band)= -0.233672 trlgG= -0.294401 logG= -0.029234 TDE= -0.171421 Density= 0.324463 ETOT(band)= -0.349419 trlgG= -0.439450 logG= -0.057629 TDE= -0.342614 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.048031 logG= -0.058670 Density= 0.323585 ETOT(band)= -0.350852 trlgG= -0.442135 logG= -0.058670 TDE= -0.342998 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.023240 logG= -0.028245 logGD-logG0= -0.010402 tlogG= -0.046404 logG= -0.056806 Density= 0.322041 ETOT(band)= -0.350433 trlgG= -0.439386 logG= -0.028245 TDE= -0.170842 Density= 0.324325 ETOT(band)= -0.348764 trlgG= -0.437366 logG= -0.056806 TDE= -0.342057 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023952 logG= -0.029278 Density= 0.323996 ETOT(band)= -0.350527 trlgG= -0.441882 logG= -0.029278 TDE= -0.171470 logGD-logG0= -0.005017 tlogG= -0.024158 logG= -0.029175 Density= 0.322780 ETOT(band)= -0.351087 trlgG= -0.441787 logG= -0.029175 TDE= -0.171220 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009633 tlogG= -0.046596 logG= -0.056229 Density= 0.323035 ETOT(band)= -0.348887 trlgG= -0.436184 logG= -0.056229 TDE= -0.341587 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005389 tlogG= -0.023679 logG= -0.029068 Density= 0.215631 ETOT(band)= -0.233524 trlgG= -0.293703 logG= -0.029068 TDE= -0.171244 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009395 tlogG= -0.046706 logG= -0.056101 logGD-logG0= -0.009588 tlogG= -0.047830 logG= -0.057418 Density= 0.428335 ETOT(band)= -0.465960 trlgG= -0.581551 logG= -0.056101 TDE= -0.341196 Density= 0.428492 ETOT(band)= -0.467975 trlgG= -0.587540 logG= -0.057418 TDE= -0.342243 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001564 tlogG= -0.007587 logG= -0.009151 Density= 0.071569 ETOT(band)= -0.077321 trlgG= -0.096108 logG= -0.009151 TDE= -0.056734 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008902 tlogG= -0.048089 logG= -0.056991 Density= 0.425990 ETOT(band)= -0.468161 trlgG= -0.586159 logG= -0.056991 TDE= -0.341757 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010091 tlogG= -0.048140 logG= -0.058230 Density= 0.429754 ETOT(band)= -0.468088 trlgG= -0.588310 logG= -0.058230 TDE= -0.342289 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.047660 logG= -0.057860 Density= 0.428745 ETOT(band)= -0.467959 trlgG= -0.586872 logG= -0.057860 TDE= -0.341884 logGD-logG0= -0.010434 tlogG= -0.048062 logG= -0.058496 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010603 tlogG= -0.047721 logG= -0.058324 Density= 0.430595 ETOT(band)= -0.467923 trlgG= -0.588749 logG= -0.058496 TDE= -0.342628 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431199 ETOT(band)= -0.467349 trlgG= -0.588039 logG= -0.058324 TDE= -0.342644 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009452 tlogG= -0.046598 logG= -0.056051 Density= 0.428544 ETOT(band)= -0.466678 trlgG= -0.584154 logG= -0.056051 TDE= -0.341612 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.021296 logG= -0.026183 logGD-logG0= -0.005293 tlogG= -0.024116 logG= -0.029409 Density= 0.162808 ETOT(band)= -0.172928 trlgG= -0.215812 logG= -0.026183 TDE= -0.169869 Density= 0.215943 ETOT(band)= -0.233924 trlgG= -0.295087 logG= -0.029409 TDE= -0.171598 logGD-logG0= -0.010259 tlogG= -0.047948 logG= -0.058207 Density= 0.429658 ETOT(band)= -0.468050 trlgG= -0.587954 logG= -0.058207 TDE= -0.342128 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010224 tlogG= -0.048213 logG= -0.058437 Density= 0.430490 ETOT(band)= -0.468092 trlgG= -0.589076 logG= -0.058437 TDE= -0.342502 logGD-logG0= -0.009594 tlogG= -0.047644 logG= -0.057238 Density= 0.427128 ETOT(band)= -0.468187 trlgG= -0.586672 logG= -0.057238 TDE= -0.341774 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010264 tlogG= -0.046922 logG= -0.057186 Density= 0.430324 ETOT(band)= -0.466302 trlgG= -0.583918 logG= -0.057186 TDE= -0.341596 logGD-logG0= -0.010709 tlogG= -0.047682 logG= -0.058390 Density= 0.431539 ETOT(band)= -0.467293 trlgG= -0.588400 logG= -0.058390 TDE= -0.342751 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010633 tlogG= -0.048007 logG= -0.058640 Density= 0.431781 ETOT(band)= -0.467575 trlgG= -0.589391 logG= -0.058640 TDE= -0.343016 logGD-logG0= -0.009547 tlogG= -0.047763 logG= -0.057310 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427629 ETOT(band)= -0.467739 trlgG= -0.585527 logG= -0.057310 TDE= -0.341476 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009764 tlogG= -0.047845 logG= -0.057608 Density= 0.429588 ETOT(band)= -0.467752 trlgG= -0.587514 logG= -0.057608 TDE= -0.342230 logGD-logG0= -0.009881 tlogG= -0.046392 logG= -0.056273 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429971 ETOT(band)= -0.465390 trlgG= -0.581228 logG= -0.056273 TDE= -0.341308 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.047550 logG= -0.057495 Density= 0.429058 ETOT(band)= -0.467306 trlgG= -0.585915 logG= -0.057495 TDE= -0.341928 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010663 tlogG= -0.047260 logG= -0.057922 Density= 0.430927 ETOT(band)= -0.466926 trlgG= -0.586569 logG= -0.057922 TDE= -0.342260 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010188 tlogG= -0.047562 logG= -0.057749 Density= 0.430457 ETOT(band)= -0.466946 trlgG= -0.585845 logG= -0.057749 TDE= -0.342041 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004812 tlogG= -0.022323 logG= -0.027135 Density= 0.323198 ETOT(band)= -0.347859 trlgG= -0.433799 logG= -0.027135 TDE= -0.170237 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009921 tlogG= -0.044614 logG= -0.054534 Density= 0.324607 ETOT(band)= -0.346557 trlgG= -0.431744 logG= -0.054534 TDE= -0.340755 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001686 tlogG= -0.007115 logG= -0.008801 Density= 0.072299 ETOT(band)= -0.076455 trlgG= -0.094796 logG= -0.008801 TDE= -0.056619 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004892 tlogG= -0.022470 logG= -0.027362 Density= 0.215238 ETOT(band)= -0.231584 trlgG= -0.287904 logG= -0.027362 TDE= -0.170169 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.021201 logG= -0.026129 Density= 0.216556 ETOT(band)= -0.229963 trlgG= -0.285401 logG= -0.026129 TDE= -0.169789 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009770 tlogG= -0.044616 logG= -0.054386 Density= 0.432034 ETOT(band)= -0.461926 trlgG= -0.574458 logG= -0.054386 TDE= -0.340393 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005222 tlogG= -0.024080 logG= -0.029302 Density= 0.323401 ETOT(band)= -0.351059 trlgG= -0.442437 logG= -0.029302 TDE= -0.171411 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.700079164766 eV TrLogG= -407.215751743333 eV Ratio to renormalize= 0.998995689702 rho-rho_expected= 0.022117038936 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964547069115170 0.940194783633613 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002317 tlogG= -0.011874 logG= -0.014191 Density= 0.053613 ETOT(band)= -0.058361 trlgG= -0.073201 logG= -0.014191 TDE= -0.085540 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.022150 logG= -0.027092 Density= 0.108453 ETOT(band)= -0.115358 trlgG= -0.143837 logG= -0.027092 TDE= -0.170413 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023666 logG= -0.028936 Density= 0.107333 ETOT(band)= -0.116923 trlgG= -0.146716 logG= -0.028936 TDE= -0.170894 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.022714 logG= -0.027733 Density= 0.108344 ETOT(band)= -0.115800 trlgG= -0.144879 logG= -0.027733 TDE= -0.170759 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.022858 logG= -0.027953 Density= 0.107715 ETOT(band)= -0.116221 trlgG= -0.145215 logG= -0.027953 TDE= -0.170564 logGD-logG0= -0.004660 tlogG= -0.023653 logG= -0.028313 Density= 0.106702 ETOT(band)= -0.116878 trlgG= -0.146252 logG= -0.028313 TDE= -0.170740 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.023180 logG= -0.028465 Density= 0.107782 ETOT(band)= -0.116469 trlgG= -0.146023 logG= -0.028465 TDE= -0.170894 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002457 tlogG= -0.010832 logG= -0.013289 Density= 0.054110 ETOT(band)= -0.057554 trlgG= -0.071483 logG= -0.013289 TDE= -0.084971 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002412 tlogG= -0.012073 logG= -0.014485 Density= 0.053636 ETOT(band)= -0.058505 trlgG= -0.073563 logG= -0.014485 TDE= -0.085620 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023850 logG= -0.028964 logGD-logG0= -0.005116 tlogG= -0.023584 logG= -0.028700 Density= 0.108300 ETOT(band)= -0.116352 trlgG= -0.146407 logG= -0.028700 TDE= -0.171299 Density= 0.108345 ETOT(band)= -0.116478 trlgG= -0.146828 logG= -0.028964 TDE= -0.171479 logGD-logG0= -0.005213 tlogG= -0.023949 logG= -0.029162 Density= 0.107545 ETOT(band)= -0.116976 trlgG= -0.147112 logG= -0.029162 TDE= -0.171169 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023848 logG= -0.029112 Density= 0.108014 ETOT(band)= -0.116727 trlgG= -0.147068 logG= -0.029112 TDE= -0.171407 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009722 tlogG= -0.045554 logG= -0.055276 Density= 0.214564 ETOT(band)= -0.232504 trlgG= -0.289938 logG= -0.055276 TDE= -0.340839 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009826 tlogG= -0.045615 logG= -0.055440 Density= 0.215348 ETOT(band)= -0.232232 trlgG= -0.289754 logG= -0.055440 TDE= -0.340879 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009988 tlogG= -0.043355 logG= -0.053342 Density= 0.216467 ETOT(band)= -0.230331 trlgG= -0.286257 logG= -0.053342 TDE= -0.340033 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002594 tlogG= -0.012023 logG= -0.014617 Density= 0.053813 ETOT(band)= -0.058494 trlgG= -0.073620 logG= -0.014617 TDE= -0.085632 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004547 ETOT(band)= -0.004730 trlgG= -0.005848 logG= -0.001047 TDE= -0.007050 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001480 tlogG= -0.007806 logG= -0.009286 Density= 0.035527 ETOT(band)= -0.038898 trlgG= -0.048565 logG= -0.009286 TDE= -0.056860 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001398 tlogG= -0.008039 logG= -0.009437 Density= 0.035349 ETOT(band)= -0.039048 trlgG= -0.048928 logG= -0.009437 TDE= -0.056983 logGD-logG0= -0.002325 tlogG= -0.011439 logG= -0.013764 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053786 ETOT(band)= -0.058032 trlgG= -0.072439 logG= -0.013764 TDE= -0.085291 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002553 tlogG= -0.011973 logG= -0.014527 Density= 0.054186 ETOT(band)= -0.058259 trlgG= -0.073486 logG= -0.014527 TDE= -0.085773 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023742 logG= -0.028882 Density= 0.108274 ETOT(band)= -0.116467 trlgG= -0.146698 logG= -0.028882 TDE= -0.171396 logGD-logG0= -0.004302 tlogG= -0.024035 logG= -0.028336 Density= 0.106224 ETOT(band)= -0.117082 trlgG= -0.146657 logG= -0.028336 TDE= -0.170886 logGD-logG0= -0.004329 tlogG= -0.023958 logG= -0.028286 Density= 0.106276 ETOT(band)= -0.117038 trlgG= -0.146544 logG= -0.028286 TDE= -0.170848 logGD-logG0= -0.005127 tlogG= -0.023929 logG= -0.029055 logGD-logG0= -0.005092 tlogG= -0.022962 logG= -0.028054 Density= 0.108231 ETOT(band)= -0.116035 trlgG= -0.145389 logG= -0.028054 TDE= -0.170893 logGD-logG0= -0.002622 tlogG= -0.011977 logG= -0.014599 Density= 0.108325 ETOT(band)= -0.116542 trlgG= -0.146977 logG= -0.029055 TDE= -0.171526 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054032 ETOT(band)= -0.058379 trlgG= -0.073606 logG= -0.014599 TDE= -0.085744 logGD-logG0= -0.005134 tlogG= -0.023409 logG= -0.028544 logGD-logG0= -0.005262 tlogG= -0.024054 logG= -0.029316 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107743 ETOT(band)= -0.116990 trlgG= -0.147386 logG= -0.029316 TDE= -0.171387 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022437 logG= -0.027461 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108227 ETOT(band)= -0.116305 trlgG= -0.146162 logG= -0.028544 TDE= -0.171175 Density= 0.108299 ETOT(band)= -0.115663 trlgG= -0.144443 logG= -0.027461 TDE= -0.170573 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.023885 logG= -0.029180 logGD-logG0= -0.004524 tlogG= -0.024030 logG= -0.028554 Density= 0.107851 ETOT(band)= -0.116857 trlgG= -0.147172 logG= -0.029180 TDE= -0.171362 Density= 0.106494 ETOT(band)= -0.117071 trlgG= -0.146667 logG= -0.028554 TDE= -0.170812 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.024074 logG= -0.029051 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107481 ETOT(band)= -0.116954 trlgG= -0.147010 logG= -0.029051 TDE= -0.171145 logGD-logG0= -0.005309 tlogG= -0.024111 logG= -0.029420 logGD-logG0= -0.005277 tlogG= -0.024065 logG= -0.029341 Density= 0.107987 ETOT(band)= -0.116899 trlgG= -0.147451 logG= -0.029341 TDE= -0.171547 Density= 0.107911 ETOT(band)= -0.116986 trlgG= -0.147575 logG= -0.029420 TDE= -0.171555 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004814 tlogG= -0.023670 logG= -0.028484 logGD-logG0= -0.004977 tlogG= -0.023629 logG= -0.028606 Density= 0.107479 ETOT(band)= -0.116644 trlgG= -0.146269 logG= -0.028484 TDE= -0.170971 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107081 ETOT(band)= -0.116851 trlgG= -0.146166 logG= -0.028606 TDE= -0.170549 logGD-logG0= -0.005085 tlogG= -0.023195 logG= -0.028280 Density= 0.108290 ETOT(band)= -0.116129 trlgG= -0.145744 logG= -0.028280 TDE= -0.171052 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.022832 logG= -0.027681 logGD-logG0= -0.004998 tlogG= -0.022391 logG= -0.027388 Density= 0.107845 ETOT(band)= -0.116017 trlgG= -0.144805 logG= -0.027681 TDE= -0.170491 logGD-logG0= -0.004691 tlogG= -0.022974 logG= -0.027665 Density= 0.106974 ETOT(band)= -0.116412 trlgG= -0.145080 logG= -0.027665 TDE= -0.170350 logGD-logG0= -0.004882 tlogG= -0.023879 logG= -0.028761 logGD-logG0= -0.004715 tlogG= -0.023485 logG= -0.028200 Density= 0.106877 ETOT(band)= -0.116733 trlgG= -0.145825 logG= -0.028200 TDE= -0.170514 logGD-logG0= -0.004693 tlogG= -0.023668 logG= -0.028360 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106861 ETOT(band)= -0.117032 trlgG= -0.146778 logG= -0.028761 TDE= -0.170898 Density= 0.107079 ETOT(band)= -0.116762 trlgG= -0.146358 logG= -0.028360 TDE= -0.170986 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107732 ETOT(band)= -0.115889 trlgG= -0.144321 logG= -0.027388 TDE= -0.170243 logGD-logG0= -0.004865 tlogG= -0.024050 logG= -0.028915 Density= 0.107159 ETOT(band)= -0.117014 trlgG= -0.147034 logG= -0.028915 TDE= -0.171147 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004727 tlogG= -0.022833 logG= -0.027560 Density= 0.107397 ETOT(band)= -0.116160 trlgG= -0.144930 logG= -0.027560 TDE= -0.170515 logGD-logG0= -0.005301 tlogG= -0.023558 logG= -0.028858 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107899 ETOT(band)= -0.116630 trlgG= -0.146652 logG= -0.028858 TDE= -0.171188 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009751 tlogG= -0.048207 logG= -0.057958 Density= 0.214607 ETOT(band)= -0.233988 trlgG= -0.294144 logG= -0.057958 TDE= -0.342384 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009069 tlogG= -0.047600 logG= -0.056669 Density= 0.213136 ETOT(band)= -0.233878 trlgG= -0.292639 logG= -0.056669 TDE= -0.341441 logGD-logG0= -0.005252 tlogG= -0.024036 logG= -0.029288 Density= 0.108045 ETOT(band)= -0.116832 trlgG= -0.147363 logG= -0.029288 TDE= -0.171541 logGD-logG0= -0.009897 tlogG= -0.047863 logG= -0.057760 logGD-logG0= -0.009443 tlogG= -0.045724 logG= -0.055167 Density= 0.214177 ETOT(band)= -0.234025 trlgG= -0.293830 logG= -0.057760 TDE= -0.342056 Density= 0.215216 ETOT(band)= -0.232156 trlgG= -0.289762 logG= -0.055167 TDE= -0.341095 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009770 tlogG= -0.047127 logG= -0.056897 Density= 0.213985 ETOT(band)= -0.233626 trlgG= -0.292360 logG= -0.056897 TDE= -0.341354 logGD-logG0= -0.009619 tlogG= -0.047122 logG= -0.056741 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213974 ETOT(band)= -0.233582 trlgG= -0.292568 logG= -0.056741 TDE= -0.341712 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010473 tlogG= -0.047712 logG= -0.058184 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214961 ETOT(band)= -0.233914 trlgG= -0.293976 logG= -0.058184 TDE= -0.342166 logGD-logG0= -0.009495 tlogG= -0.047902 logG= -0.057397 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213483 ETOT(band)= -0.234087 trlgG= -0.293279 logG= -0.057397 TDE= -0.341524 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009392 tlogG= -0.047410 logG= -0.056802 logGD-logG0= -0.010427 tlogG= -0.048047 logG= -0.058474 Density= 0.214516 ETOT(band)= -0.233414 trlgG= -0.292701 logG= -0.056802 TDE= -0.342052 Density= 0.215274 ETOT(band)= -0.233969 trlgG= -0.294488 logG= -0.058474 TDE= -0.342542 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.047946 logG= -0.058221 logGD-logG0= -0.001621 tlogG= -0.006985 logG= -0.008606 Density= 0.036227 ETOT(band)= -0.038104 trlgG= -0.047211 logG= -0.008606 TDE= -0.056532 Density= 0.215276 ETOT(band)= -0.233824 trlgG= -0.294072 logG= -0.058221 TDE= -0.342380 logGD-logG0= -0.010020 tlogG= -0.047993 logG= -0.058013 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010508 tlogG= -0.047981 logG= -0.058489 logGD-logG0= -0.001685 tlogG= -0.007299 logG= -0.008984 Density= 0.035876 ETOT(band)= -0.038551 trlgG= -0.047869 logG= -0.008984 TDE= -0.056639 logGD-logG0= -0.010132 tlogG= -0.047628 logG= -0.057760 Density= 0.214157 ETOT(band)= -0.234012 trlgG= -0.293583 logG= -0.057760 TDE= -0.341798 Density= 0.214737 ETOT(band)= -0.233936 trlgG= -0.293894 logG= -0.058013 TDE= -0.342144 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010357 tlogG= -0.047280 logG= -0.057637 Density= 0.215310 ETOT(band)= -0.233960 trlgG= -0.294515 logG= -0.058489 TDE= -0.342572 logGD-logG0= -0.010576 tlogG= -0.047485 logG= -0.058061 Density= 0.215899 ETOT(band)= -0.233420 trlgG= -0.293866 logG= -0.058061 TDE= -0.342642 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010502 tlogG= -0.047898 logG= -0.058400 Density= 0.214468 ETOT(band)= -0.233807 trlgG= -0.293060 logG= -0.057637 TDE= -0.341552 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216094 ETOT(band)= -0.233536 trlgG= -0.294429 logG= -0.058400 TDE= -0.342963 logGD-logG0= -0.010336 tlogG= -0.047752 logG= -0.058088 Density= 0.214861 ETOT(band)= -0.233908 trlgG= -0.293806 logG= -0.058088 TDE= -0.342042 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010136 tlogG= -0.046379 logG= -0.056515 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215415 ETOT(band)= -0.232792 trlgG= -0.291383 logG= -0.056515 TDE= -0.341466 logGD-logG0= -0.010620 tlogG= -0.048112 logG= -0.058732 Density= 0.215625 ETOT(band)= -0.233986 trlgG= -0.294952 logG= -0.058732 TDE= -0.342922 logGD-logG0= -0.010556 tlogG= -0.047846 logG= -0.058402 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215967 ETOT(band)= -0.233608 trlgG= -0.294429 logG= -0.058402 TDE= -0.342898 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.047390 logG= -0.057920 Density= 0.215668 ETOT(band)= -0.233459 trlgG= -0.293624 logG= -0.057920 TDE= -0.342427 logGD-logG0= -0.009746 tlogG= -0.047188 logG= -0.056935 Density= 0.214681 ETOT(band)= -0.233376 trlgG= -0.292476 logG= -0.056935 TDE= -0.341776 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.046847 logG= -0.057420 Density= 0.215629 ETOT(band)= -0.233183 trlgG= -0.292825 logG= -0.057420 TDE= -0.342109 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010047 tlogG= -0.047118 logG= -0.057165 Density= 0.215352 ETOT(band)= -0.233192 trlgG= -0.292397 logG= -0.057165 TDE= -0.341799 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023189 logG= -0.027794 Density= 0.106839 ETOT(band)= -0.116543 trlgG= -0.145342 logG= -0.027794 TDE= -0.170417 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.021545 logG= -0.026438 Density= 0.108607 ETOT(band)= -0.114809 trlgG= -0.142711 logG= -0.026438 TDE= -0.170017 logGD-logG0= -0.004812 tlogG= -0.020970 logG= -0.025783 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108801 ETOT(band)= -0.114223 trlgG= -0.141556 logG= -0.025783 TDE= -0.169614 logGD-logG0= -0.004978 tlogG= -0.021855 logG= -0.026833 Density= 0.108418 ETOT(band)= -0.115174 trlgG= -0.143389 logG= -0.026833 TDE= -0.170206 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005056 tlogG= -0.021800 logG= -0.026856 Density= 0.107885 ETOT(band)= -0.115462 trlgG= -0.143448 logG= -0.026856 TDE= -0.169979 logGD-logG0= -0.002398 tlogG= -0.010417 logG= -0.012814 Density= 0.054423 ETOT(band)= -0.057038 trlgG= -0.070639 logG= -0.012814 TDE= -0.084756 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021677 logG= -0.026674 Density= 0.108027 ETOT(band)= -0.115270 trlgG= -0.143140 logG= -0.026674 TDE= -0.169923 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005743 logG= -0.006997 Density= 0.080711 ETOT(band)= -0.087341 trlgG= -0.109522 logG= -0.006997 TDE= -0.042733 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005056 tlogG= -0.023938 logG= -0.028994 Density= 0.214546 ETOT(band)= -0.233940 trlgG= -0.293666 logG= -0.028994 TDE= -0.171010 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022947 logG= -0.028111 Density= 0.216419 ETOT(band)= -0.231940 trlgG= -0.290356 logG= -0.028111 TDE= -0.170848 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004763 tlogG= -0.023226 logG= -0.027988 Density= 0.213707 ETOT(band)= -0.233460 trlgG= -0.291980 logG= -0.027988 TDE= -0.170691 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023180 logG= -0.028325 Density= 0.215069 ETOT(band)= -0.232806 trlgG= -0.290980 logG= -0.028325 TDE= -0.170564 logGD-logG0= -0.005100 tlogG= -0.022421 logG= -0.027521 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216562 ETOT(band)= -0.231145 trlgG= -0.288374 logG= -0.027521 TDE= -0.170514 logGD-logG0= -0.005412 tlogG= -0.023339 logG= -0.028751 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215308 ETOT(band)= -0.233204 trlgG= -0.292473 logG= -0.028751 TDE= -0.170908 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005463 logG= -0.006684 Density= 0.081271 ETOT(band)= -0.086303 trlgG= -0.107286 logG= -0.006684 TDE= -0.042560 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001269 tlogG= -0.005850 logG= -0.007119 Density= 0.080724 ETOT(band)= -0.087556 trlgG= -0.110076 logG= -0.007119 TDE= -0.042799 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004996 tlogG= -0.024138 logG= -0.029135 Density= 0.214946 ETOT(band)= -0.234014 trlgG= -0.294283 logG= -0.029135 TDE= -0.171183 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023935 logG= -0.029100 Density= 0.216583 ETOT(band)= -0.233090 trlgG= -0.293881 logG= -0.029100 TDE= -0.171514 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023740 logG= -0.028925 Density= 0.216473 ETOT(band)= -0.232892 trlgG= -0.293176 logG= -0.028925 TDE= -0.171373 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.023876 logG= -0.029225 Density= 0.215845 ETOT(band)= -0.233611 trlgG= -0.294311 logG= -0.029225 TDE= -0.171379 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009890 tlogG= -0.046364 logG= -0.056254 Density= 0.429932 ETOT(band)= -0.465262 trlgG= -0.581047 logG= -0.056254 TDE= -0.341225 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009400 tlogG= -0.046682 logG= -0.056083 Density= 0.428300 ETOT(band)= -0.465828 trlgG= -0.581365 logG= -0.056083 TDE= -0.341112 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009780 tlogG= -0.044589 logG= -0.054369 Density= 0.431994 ETOT(band)= -0.461802 trlgG= -0.574284 logG= -0.054369 TDE= -0.340311 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001274 tlogG= -0.005934 logG= -0.007207 Density= 0.080906 ETOT(band)= -0.087591 trlgG= -0.110273 logG= -0.007207 TDE= -0.042853 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001425 tlogG= -0.007960 logG= -0.009385 Density= 0.070937 ETOT(band)= -0.077897 trlgG= -0.097371 logG= -0.009385 TDE= -0.056944 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005978 logG= -0.007251 logGD-logG0= -0.001234 tlogG= -0.005614 logG= -0.006848 Density= 0.081134 ETOT(band)= -0.087496 trlgG= -0.110327 logG= -0.007251 TDE= -0.042883 Density= 0.080911 ETOT(band)= -0.086914 trlgG= -0.108521 logG= -0.006848 TDE= -0.042657 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023979 logG= -0.029188 Density= 0.215886 ETOT(band)= -0.233707 trlgG= -0.294582 logG= -0.029188 TDE= -0.171523 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004275 tlogG= -0.024115 logG= -0.028390 Density= 0.212387 ETOT(band)= -0.234213 trlgG= -0.293437 logG= -0.028390 TDE= -0.170925 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.023777 logG= -0.029019 Density= 0.215535 ETOT(band)= -0.233612 trlgG= -0.293929 logG= -0.029019 TDE= -0.171371 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004465 tlogG= -0.023570 logG= -0.028035 Density= 0.212831 ETOT(band)= -0.233835 trlgG= -0.292493 logG= -0.028035 TDE= -0.170642 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001183 tlogG= -0.005166 logG= -0.006350 logGD-logG0= -0.005230 tlogG= -0.023466 logG= -0.028696 Density= 0.062599 ETOT(band)= -0.067501 trlgG= -0.084140 logG= -0.006350 TDE= -0.042347 logGD-logG0= -0.004578 tlogG= -0.023875 logG= -0.028452 Density= 0.213491 ETOT(band)= -0.233705 trlgG= -0.292251 logG= -0.028452 TDE= -0.170731 Density= 0.215415 ETOT(band)= -0.233178 trlgG= -0.292667 logG= -0.028696 TDE= -0.171114 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001577 tlogG= -0.006868 logG= -0.008445 Density= 0.040882 ETOT(band)= -0.042649 trlgG= -0.052758 logG= -0.008445 TDE= -0.056446 logGD-logG0= -0.005172 tlogG= -0.023978 logG= -0.029150 Density= 0.216550 ETOT(band)= -0.233194 trlgG= -0.294112 logG= -0.029150 TDE= -0.171541 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004751 tlogG= -0.023987 logG= -0.028738 Density= 0.321875 ETOT(band)= -0.350876 trlgG= -0.440972 logG= -0.028738 TDE= -0.171172 logGD-logG0= -0.005301 tlogG= -0.024099 logG= -0.029400 Density= 0.215918 ETOT(band)= -0.233862 trlgG= -0.294996 logG= -0.029400 TDE= -0.171555 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004944 tlogG= -0.022890 logG= -0.027834 Density= 0.214996 ETOT(band)= -0.232254 trlgG= -0.289454 logG= -0.027834 TDE= -0.170379 logGD-logG0= -0.001565 tlogG= -0.007583 logG= -0.009148 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071563 ETOT(band)= -0.077299 trlgG= -0.096078 logG= -0.009148 TDE= -0.056720 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010649 tlogG= -0.048002 logG= -0.058651 Density= 0.323548 ETOT(band)= -0.350759 trlgG= -0.441998 logG= -0.058651 TDE= -0.342913 logGD-logG0= -0.004664 tlogG= -0.023349 logG= -0.028013 Density= 0.321942 ETOT(band)= -0.349831 trlgG= -0.438401 logG= -0.028013 TDE= -0.170847 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.047743 logG= -0.058117 Density= 0.324643 ETOT(band)= -0.349695 trlgG= -0.440666 logG= -0.058117 TDE= -0.342922 logGD-logG0= -0.005022 tlogG= -0.024144 logG= -0.029166 Density= 0.322746 ETOT(band)= -0.350992 trlgG= -0.441650 logG= -0.029166 TDE= -0.171178 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004552 tlogG= -0.023957 logG= -0.028509 logGD-logG0= -0.004890 tlogG= -0.023869 logG= -0.028759 Density= 0.213996 ETOT(band)= -0.233854 trlgG= -0.292757 logG= -0.028759 TDE= -0.170739 logGD-logG0= -0.005191 tlogG= -0.023394 logG= -0.028585 Density= 0.216392 ETOT(band)= -0.232513 trlgG= -0.291970 logG= -0.028585 TDE= -0.171135 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213021 ETOT(band)= -0.234112 trlgG= -0.293241 logG= -0.028509 TDE= -0.170779 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.023828 logG= -0.028881 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215696 ETOT(band)= -0.233609 trlgG= -0.294031 logG= -0.028881 TDE= -0.171058 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.024067 logG= -0.029293 Density= 0.323365 ETOT(band)= -0.350965 trlgG= -0.442299 logG= -0.029293 TDE= -0.171368 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010420 tlogG= -0.047192 logG= -0.057612 Density= 0.324426 ETOT(band)= -0.349328 trlgG= -0.439318 logG= -0.057612 TDE= -0.342530 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.046373 logG= -0.056789 logGD-logG0= -0.010135 tlogG= -0.045597 logG= -0.055732 Density= 0.324336 ETOT(band)= -0.347731 trlgG= -0.434619 logG= -0.055732 TDE= -0.341350 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324290 ETOT(band)= -0.348672 trlgG= -0.437234 logG= -0.056789 TDE= -0.341974 logGD-logG0= -0.005008 tlogG= -0.023228 logG= -0.028236 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322010 ETOT(band)= -0.350337 trlgG= -0.439249 logG= -0.028236 TDE= -0.170801 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004813 tlogG= -0.023817 logG= -0.028630 logGD-logG0= -0.004718 tlogG= -0.023988 logG= -0.028706 Density= 0.214328 ETOT(band)= -0.233930 trlgG= -0.293884 logG= -0.028706 TDE= -0.171177 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213783 ETOT(band)= -0.233991 trlgG= -0.293493 logG= -0.028630 TDE= -0.170995 logGD-logG0= -0.009642 tlogG= -0.046569 logG= -0.056211 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323005 ETOT(band)= -0.348793 trlgG= -0.436050 logG= -0.056211 TDE= -0.341505 logGD-logG0= -0.005397 tlogG= -0.023662 logG= -0.029059 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215608 ETOT(band)= -0.233462 trlgG= -0.293613 logG= -0.029059 TDE= -0.171201 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004632 tlogG= -0.023352 logG= -0.027984 Density= 0.214388 ETOT(band)= -0.233220 trlgG= -0.292095 logG= -0.027984 TDE= -0.170855 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023935 logG= -0.029269 logGD-logG0= -0.009597 tlogG= -0.047802 logG= -0.057399 Density= 0.428452 ETOT(band)= -0.467844 trlgG= -0.587354 logG= -0.057399 TDE= -0.342159 logGD-logG0= -0.008907 tlogG= -0.048064 logG= -0.056971 Density= 0.323959 ETOT(band)= -0.350435 trlgG= -0.441748 logG= -0.029269 TDE= -0.171427 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425959 ETOT(band)= -0.468024 trlgG= -0.585969 logG= -0.056971 TDE= -0.341674 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010100 tlogG= -0.048112 logG= -0.058211 logGD-logG0= -0.010207 tlogG= -0.047634 logG= -0.057841 Density= 0.428704 ETOT(band)= -0.467829 trlgG= -0.586686 logG= -0.057841 TDE= -0.341800 Density= 0.429710 ETOT(band)= -0.467960 trlgG= -0.588126 logG= -0.058211 TDE= -0.342206 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010724 tlogG= -0.047648 logG= -0.058373 Density= 0.431491 ETOT(band)= -0.467170 trlgG= -0.588219 logG= -0.058373 TDE= -0.342666 logGD-logG0= -0.010441 tlogG= -0.048036 logG= -0.058478 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430549 ETOT(band)= -0.467797 trlgG= -0.588563 logG= -0.058478 TDE= -0.342542 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010232 tlogG= -0.048186 logG= -0.058418 Density= 0.430443 ETOT(band)= -0.467966 trlgG= -0.588890 logG= -0.058418 TDE= -0.342416 logGD-logG0= -0.009773 tlogG= -0.047817 logG= -0.057590 Density= 0.429546 ETOT(band)= -0.467624 trlgG= -0.587333 logG= -0.057590 TDE= -0.342147 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009462 tlogG= -0.046570 logG= -0.056033 Density= 0.428507 ETOT(band)= -0.466546 trlgG= -0.583968 logG= -0.056033 TDE= -0.341529 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009550 tlogG= -0.047741 logG= -0.057291 Density= 0.427593 ETOT(band)= -0.467606 trlgG= -0.585339 logG= -0.057291 TDE= -0.341392 logGD-logG0= -0.009596 tlogG= -0.047622 logG= -0.057218 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427093 ETOT(band)= -0.468053 trlgG= -0.586482 logG= -0.057218 TDE= -0.341689 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010268 tlogG= -0.047920 logG= -0.058188 Density= 0.429614 ETOT(band)= -0.467922 trlgG= -0.587767 logG= -0.058188 TDE= -0.342043 logGD-logG0= -0.004894 tlogG= -0.021282 logG= -0.026176 Density= 0.162790 ETOT(band)= -0.172883 trlgG= -0.215749 logG= -0.026176 TDE= -0.169830 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010648 tlogG= -0.047973 logG= -0.058622 Density= 0.431731 ETOT(band)= -0.467452 trlgG= -0.589210 logG= -0.058622 TDE= -0.342931 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010610 tlogG= -0.047696 logG= -0.058306 Density= 0.431152 ETOT(band)= -0.467225 trlgG= -0.587856 logG= -0.058306 TDE= -0.342559 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.047522 logG= -0.057476 logGD-logG0= -0.010272 tlogG= -0.046896 logG= -0.057168 Density= 0.429018 ETOT(band)= -0.467176 trlgG= -0.585732 logG= -0.057476 TDE= -0.341845 Density= 0.430282 ETOT(band)= -0.466175 trlgG= -0.583735 logG= -0.057168 TDE= -0.341511 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.007110 logG= -0.008799 Density= 0.072292 ETOT(band)= -0.076435 trlgG= -0.094768 logG= -0.008799 TDE= -0.056606 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022274 logG= -0.027204 Density= 0.214462 ETOT(band)= -0.232293 trlgG= -0.289207 logG= -0.027204 TDE= -0.170114 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004895 tlogG= -0.022458 logG= -0.027353 Density= 0.215219 ETOT(band)= -0.231521 trlgG= -0.287815 logG= -0.027353 TDE= -0.170128 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010196 tlogG= -0.047535 logG= -0.057731 logGD-logG0= -0.010670 tlogG= -0.047234 logG= -0.057904 Density= 0.430413 ETOT(band)= -0.466820 trlgG= -0.585661 logG= -0.057731 TDE= -0.341956 Density= 0.430882 ETOT(band)= -0.466802 trlgG= -0.586387 logG= -0.057904 TDE= -0.342175 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022310 logG= -0.027127 Density= 0.323169 ETOT(band)= -0.347764 trlgG= -0.433665 logG= -0.027127 TDE= -0.170196 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004409 tlogG= -0.023724 logG= -0.028133 Density= 0.213295 ETOT(band)= -0.233431 trlgG= -0.291522 logG= -0.028133 TDE= -0.170727 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009930 tlogG= -0.044588 logG= -0.054518 Density= 0.324575 ETOT(band)= -0.346465 trlgG= -0.431615 logG= -0.054518 TDE= -0.340674 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.021860 logG= -0.026925 Density= 0.216816 ETOT(band)= -0.230149 trlgG= -0.286263 logG= -0.026925 TDE= -0.170174 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021331 logG= -0.026308 Density= 0.217206 ETOT(band)= -0.229045 trlgG= -0.284063 logG= -0.026308 TDE= -0.169843 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004777 tlogG= -0.022309 logG= -0.027086 logGD-logG0= -0.001202 tlogG= -0.005302 logG= -0.006504 Density= 0.215226 ETOT(band)= -0.231808 trlgG= -0.288857 logG= -0.027086 TDE= -0.170201 Density= 0.081627 ETOT(band)= -0.085637 trlgG= -0.106130 logG= -0.006504 TDE= -0.042448 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004935 tlogG= -0.021187 logG= -0.026122 Density= 0.216535 ETOT(band)= -0.229902 trlgG= -0.285316 logG= -0.026122 TDE= -0.169750 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.611655321850 eV TrLogG= -407.074585031787 eV Ratio to renormalize= 0.999094161151 rho-rho_expected= 0.019946523006 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964529201022193 0.940144450832757 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002318 tlogG= -0.011872 logG= -0.014190 Density= 0.053611 ETOT(band)= -0.058356 trlgG= -0.073194 logG= -0.014190 TDE= -0.085533 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004525 tlogG= -0.024026 logG= -0.028551 Density= 0.106491 ETOT(band)= -0.117059 trlgG= -0.146651 logG= -0.028551 TDE= -0.170797 logGD-logG0= -0.005088 tlogG= -0.023190 logG= -0.028278 Density= 0.108286 ETOT(band)= -0.116118 trlgG= -0.145730 logG= -0.028278 TDE= -0.171037 logGD-logG0= -0.004977 tlogG= -0.023626 logG= -0.028603 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107078 ETOT(band)= -0.116840 trlgG= -0.146150 logG= -0.028603 TDE= -0.170534 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023663 logG= -0.028358 Density= 0.107075 ETOT(band)= -0.116751 trlgG= -0.146342 logG= -0.028358 TDE= -0.170971 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.024045 logG= -0.028912 Density= 0.107156 ETOT(band)= -0.117003 trlgG= -0.147018 logG= -0.028912 TDE= -0.171132 logGD-logG0= -0.004729 tlogG= -0.022829 logG= -0.027558 Density= 0.107394 ETOT(band)= -0.116149 trlgG= -0.144914 logG= -0.027558 TDE= -0.170500 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002458 tlogG= -0.010830 logG= -0.013288 Density= 0.054109 ETOT(band)= -0.057549 trlgG= -0.071476 logG= -0.013288 TDE= -0.084964 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002595 tlogG= -0.012021 logG= -0.014616 Density= 0.053811 ETOT(band)= -0.058489 trlgG= -0.073612 logG= -0.014616 TDE= -0.085625 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023845 logG= -0.028962 Density= 0.108340 ETOT(band)= -0.116468 trlgG= -0.146814 logG= -0.028962 TDE= -0.171464 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 logGD-logG0= -0.005119 tlogG= -0.023579 logG= -0.028698 Density= 0.108295 ETOT(band)= -0.116341 trlgG= -0.146393 logG= -0.028698 TDE= -0.171285 Density= 0.004547 ETOT(band)= -0.004730 trlgG= -0.005847 logG= -0.001047 TDE= -0.007050 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009771 tlogG= -0.047120 logG= -0.056891 logGD-logG0= -0.009496 tlogG= -0.047895 logG= -0.057391 Density= 0.213477 ETOT(band)= -0.234063 trlgG= -0.293246 logG= -0.057391 TDE= -0.341494 logGD-logG0= -0.001399 tlogG= -0.008037 logG= -0.009436 Density= 0.035348 ETOT(band)= -0.039044 trlgG= -0.048922 logG= -0.009436 TDE= -0.056978 Density= 0.213978 ETOT(band)= -0.233603 trlgG= -0.292329 logG= -0.056891 TDE= -0.341325 logGD-logG0= -0.001480 tlogG= -0.007804 logG= -0.009285 Density= 0.035526 ETOT(band)= -0.038894 trlgG= -0.048559 logG= -0.009285 TDE= -0.056855 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009071 tlogG= -0.047592 logG= -0.056663 Density= 0.213131 ETOT(band)= -0.233854 trlgG= -0.292607 logG= -0.056663 TDE= -0.341411 logGD-logG0= -0.002326 tlogG= -0.011436 logG= -0.013763 Density= 0.053784 ETOT(band)= -0.058027 trlgG= -0.072431 logG= -0.013763 TDE= -0.085284 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009829 tlogG= -0.045606 logG= -0.055435 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215341 ETOT(band)= -0.232210 trlgG= -0.289725 logG= -0.055435 TDE= -0.340851 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004303 tlogG= -0.024030 logG= -0.028333 Density= 0.106222 ETOT(band)= -0.117069 trlgG= -0.146641 logG= -0.028333 TDE= -0.170871 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004606 tlogG= -0.023185 logG= -0.027791 Density= 0.106836 ETOT(band)= -0.116531 trlgG= -0.145326 logG= -0.027791 TDE= -0.170403 logGD-logG0= -0.002413 tlogG= -0.012070 logG= -0.014483 logGD-logG0= -0.005137 tlogG= -0.023404 logG= -0.028541 Density= 0.108223 ETOT(band)= -0.116295 trlgG= -0.146148 logG= -0.028541 TDE= -0.171161 Density= 0.053634 ETOT(band)= -0.058499 trlgG= -0.073555 logG= -0.014483 TDE= -0.085612 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002555 tlogG= -0.011971 logG= -0.014526 logGD-logG0= -0.005142 tlogG= -0.023737 logG= -0.028880 Density= 0.054183 ETOT(band)= -0.058254 trlgG= -0.073479 logG= -0.014526 TDE= -0.085766 logGD-logG0= -0.005000 tlogG= -0.022386 logG= -0.027386 Density= 0.108269 ETOT(band)= -0.116457 trlgG= -0.146684 logG= -0.028880 TDE= -0.171381 Density= 0.107729 ETOT(band)= -0.115878 trlgG= -0.144306 logG= -0.027386 TDE= -0.170229 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002624 tlogG= -0.011974 logG= -0.014598 Density= 0.054029 ETOT(band)= -0.058374 trlgG= -0.073598 logG= -0.014598 TDE= -0.085737 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004693 tlogG= -0.022970 logG= -0.027662 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.022433 logG= -0.027459 logGD-logG0= -0.004816 tlogG= -0.023666 logG= -0.028482 logGD-logG0= -0.005095 tlogG= -0.022957 logG= -0.028052 Density= 0.108227 ETOT(band)= -0.116025 trlgG= -0.145374 logG= -0.028052 TDE= -0.170879 logGD-logG0= -0.005130 tlogG= -0.023924 logG= -0.029053 Density= 0.108320 ETOT(band)= -0.116532 trlgG= -0.146962 logG= -0.029053 TDE= -0.171511 Density= 0.106971 ETOT(band)= -0.116401 trlgG= -0.145064 logG= -0.027662 TDE= -0.170336 logGD-logG0= -0.004944 tlogG= -0.022146 logG= -0.027090 Density= 0.107476 ETOT(band)= -0.116633 trlgG= -0.146254 logG= -0.028482 TDE= -0.170957 Density= 0.108295 ETOT(band)= -0.115653 trlgG= -0.144429 logG= -0.027459 TDE= -0.170559 Density= 0.108449 ETOT(band)= -0.115348 trlgG= -0.143823 logG= -0.027090 TDE= -0.170399 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.022828 logG= -0.027679 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107842 ETOT(band)= -0.116006 trlgG= -0.144790 logG= -0.027679 TDE= -0.170477 logGD-logG0= -0.005312 tlogG= -0.024105 logG= -0.029417 Density= 0.107906 ETOT(band)= -0.116976 trlgG= -0.147560 logG= -0.029417 TDE= -0.171540 logGD-logG0= -0.004980 tlogG= -0.021851 logG= -0.026831 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.024059 logG= -0.029339 Density= 0.108414 ETOT(band)= -0.115164 trlgG= -0.143375 logG= -0.026831 TDE= -0.170192 logGD-logG0= -0.005272 tlogG= -0.023662 logG= -0.028933 Density= 0.107329 ETOT(band)= -0.116912 trlgG= -0.146700 logG= -0.028933 TDE= -0.170879 Density= 0.107982 ETOT(band)= -0.116889 trlgG= -0.147436 logG= -0.029339 TDE= -0.171532 logGD-logG0= -0.005263 tlogG= -0.024050 logG= -0.029313 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.024070 logG= -0.029049 Density= 0.107477 ETOT(band)= -0.116943 trlgG= -0.146995 logG= -0.029049 TDE= -0.171131 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107739 ETOT(band)= -0.116979 trlgG= -0.147370 logG= -0.029313 TDE= -0.171372 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005296 tlogG= -0.023881 logG= -0.029177 Density= 0.107847 ETOT(band)= -0.116846 trlgG= -0.147156 logG= -0.029177 TDE= -0.171347 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.022854 logG= -0.027951 logGD-logG0= -0.005022 tlogG= -0.022709 logG= -0.027731 logGD-logG0= -0.004660 tlogG= -0.023650 logG= -0.028310 Density= 0.106699 ETOT(band)= -0.116866 trlgG= -0.146235 logG= -0.028310 TDE= -0.170725 Density= 0.108340 ETOT(band)= -0.115789 trlgG= -0.144864 logG= -0.027731 TDE= -0.170745 logGD-logG0= -0.005215 tlogG= -0.023945 logG= -0.029159 Density= 0.107711 ETOT(band)= -0.116210 trlgG= -0.145200 logG= -0.027951 TDE= -0.170550 logGD-logG0= -0.002399 tlogG= -0.010415 logG= -0.012813 Density= 0.107541 ETOT(band)= -0.116965 trlgG= -0.147096 logG= -0.029159 TDE= -0.171154 Density= 0.054421 ETOT(band)= -0.057034 trlgG= -0.070632 logG= -0.012813 TDE= -0.084749 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.023876 logG= -0.028758 Density= 0.106858 ETOT(band)= -0.117021 trlgG= -0.146762 logG= -0.028758 TDE= -0.170883 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023176 logG= -0.028463 Density= 0.107778 ETOT(band)= -0.116458 trlgG= -0.146008 logG= -0.028463 TDE= -0.170880 logGD-logG0= -0.005266 tlogG= -0.023843 logG= -0.029109 Density= 0.108009 ETOT(band)= -0.116716 trlgG= -0.147053 logG= -0.029109 TDE= -0.171392 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.048198 logG= -0.057952 logGD-logG0= -0.001622 tlogG= -0.006984 logG= -0.008605 Density= 0.036225 ETOT(band)= -0.038101 trlgG= -0.047206 logG= -0.008605 TDE= -0.056527 Density= 0.214600 ETOT(band)= -0.233966 trlgG= -0.294113 logG= -0.057952 TDE= -0.342355 logGD-logG0= -0.005303 tlogG= -0.023553 logG= -0.028856 logGD-logG0= -0.004716 tlogG= -0.023481 logG= -0.028197 Density= 0.107894 ETOT(band)= -0.116620 trlgG= -0.146637 logG= -0.028856 TDE= -0.171173 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001685 tlogG= -0.007298 logG= -0.008983 Density= 0.035875 ETOT(band)= -0.038548 trlgG= -0.047865 logG= -0.008983 TDE= -0.056634 Density= 0.106873 ETOT(band)= -0.116721 trlgG= -0.145810 logG= -0.028197 TDE= -0.170499 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009623 tlogG= -0.047112 logG= -0.056735 Density= 0.213967 ETOT(band)= -0.233559 trlgG= -0.292536 logG= -0.056735 TDE= -0.341683 logGD-logG0= -0.009447 tlogG= -0.045716 logG= -0.055162 Density= 0.215209 ETOT(band)= -0.232134 trlgG= -0.289732 logG= -0.055162 TDE= -0.341066 logGD-logG0= -0.004330 tlogG= -0.023954 logG= -0.028284 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106273 ETOT(band)= -0.117026 trlgG= -0.146528 logG= -0.028284 TDE= -0.170834 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.047703 logG= -0.058179 Density= 0.214953 ETOT(band)= -0.233893 trlgG= -0.293945 logG= -0.058179 TDE= -0.342136 logGD-logG0= -0.009726 tlogG= -0.045545 logG= -0.055271 Density= 0.214558 ETOT(band)= -0.232481 trlgG= -0.289907 logG= -0.055271 TDE= -0.340810 logGD-logG0= -0.005255 tlogG= -0.024031 logG= -0.029286 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108041 ETOT(band)= -0.116822 trlgG= -0.147348 logG= -0.029286 TDE= -0.171527 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.047854 logG= -0.057754 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009396 tlogG= -0.047401 logG= -0.056797 Density= 0.214509 ETOT(band)= -0.233392 trlgG= -0.292670 logG= -0.056797 TDE= -0.342023 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010278 tlogG= -0.047938 logG= -0.058215 Density= 0.215268 ETOT(band)= -0.233802 trlgG= -0.294041 logG= -0.058215 TDE= -0.342351 Density= 0.214170 ETOT(band)= -0.234003 trlgG= -0.293799 logG= -0.057754 TDE= -0.342026 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047973 logG= -0.058483 Density= 0.215302 ETOT(band)= -0.233938 trlgG= -0.294484 logG= -0.058483 TDE= -0.342543 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.047984 logG= -0.058007 logGD-logG0= -0.010134 tlogG= -0.047620 logG= -0.057755 Density= 0.214150 ETOT(band)= -0.233990 trlgG= -0.293551 logG= -0.057755 TDE= -0.341769 Density= 0.214729 ETOT(band)= -0.233914 trlgG= -0.293864 logG= -0.058007 TDE= -0.342115 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010430 tlogG= -0.048038 logG= -0.058469 Density= 0.215265 ETOT(band)= -0.233947 trlgG= -0.294457 logG= -0.058469 TDE= -0.342512 logGD-logG0= -0.010582 tlogG= -0.047474 logG= -0.058057 Density= 0.215890 ETOT(band)= -0.233399 trlgG= -0.293836 logG= -0.058057 TDE= -0.342613 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010340 tlogG= -0.047743 logG= -0.058083 Density= 0.214853 ETOT(band)= -0.233886 trlgG= -0.293775 logG= -0.058083 TDE= -0.342012 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010359 tlogG= -0.047273 logG= -0.057632 Density= 0.214460 ETOT(band)= -0.233785 trlgG= -0.293029 logG= -0.057632 TDE= -0.341523 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010508 tlogG= -0.047887 logG= -0.058395 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216085 ETOT(band)= -0.233516 trlgG= -0.294399 logG= -0.058395 TDE= -0.342933 logGD-logG0= -0.010139 tlogG= -0.046371 logG= -0.056510 Density= 0.215407 ETOT(band)= -0.232771 trlgG= -0.291353 logG= -0.056510 TDE= -0.341437 logGD-logG0= -0.010622 tlogG= -0.048105 logG= -0.058727 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215616 ETOT(band)= -0.233965 trlgG= -0.294922 logG= -0.058727 TDE= -0.342893 logGD-logG0= -0.001255 tlogG= -0.005742 logG= -0.006996 Density= 0.080709 ETOT(band)= -0.087333 trlgG= -0.109510 logG= -0.006996 TDE= -0.042730 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047835 logG= -0.058397 logGD-logG0= -0.010533 tlogG= -0.047382 logG= -0.057915 Density= 0.215659 ETOT(band)= -0.233438 trlgG= -0.293594 logG= -0.057915 TDE= -0.342398 Density= 0.215958 ETOT(band)= -0.233587 trlgG= -0.294399 logG= -0.058397 TDE= -0.342868 logGD-logG0= -0.009750 tlogG= -0.047179 logG= -0.056929 Density= 0.214674 ETOT(band)= -0.233354 trlgG= -0.292445 logG= -0.056929 TDE= -0.341747 logGD-logG0= -0.004895 tlogG= -0.021541 logG= -0.026436 Density= 0.108603 ETOT(band)= -0.114799 trlgG= -0.142697 logG= -0.026436 TDE= -0.170004 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010576 tlogG= -0.046839 logG= -0.057415 logGD-logG0= -0.010050 tlogG= -0.047110 logG= -0.057160 Density= 0.215621 ETOT(band)= -0.233162 trlgG= -0.292795 logG= -0.057415 TDE= -0.342079 Density= 0.215344 ETOT(band)= -0.233171 trlgG= -0.292367 logG= -0.057160 TDE= -0.341770 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.020966 logG= -0.025781 Density= 0.108797 ETOT(band)= -0.114213 trlgG= -0.141543 logG= -0.025781 TDE= -0.169601 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005058 tlogG= -0.021796 logG= -0.026854 Density= 0.107882 ETOT(band)= -0.115451 trlgG= -0.143434 logG= -0.026854 TDE= -0.169965 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004999 tlogG= -0.021673 logG= -0.026671 Density= 0.108024 ETOT(band)= -0.115260 trlgG= -0.143126 logG= -0.026671 TDE= -0.169910 logGD-logG0= -0.004891 tlogG= -0.023865 logG= -0.028756 Density= 0.213989 ETOT(band)= -0.233831 trlgG= -0.292725 logG= -0.028756 TDE= -0.170724 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004553 tlogG= -0.023953 logG= -0.028506 Density= 0.213015 ETOT(band)= -0.234088 trlgG= -0.293209 logG= -0.028506 TDE= -0.170765 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004720 tlogG= -0.023983 logG= -0.028703 Density= 0.214321 ETOT(band)= -0.233907 trlgG= -0.293853 logG= -0.028703 TDE= -0.171162 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.023347 logG= -0.027981 Density= 0.214382 ETOT(band)= -0.233197 trlgG= -0.292064 logG= -0.027981 TDE= -0.170841 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023389 logG= -0.028583 Density= 0.216384 ETOT(band)= -0.232492 trlgG= -0.291941 logG= -0.028583 TDE= -0.171120 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009992 tlogG= -0.043347 logG= -0.053338 Density= 0.216460 ETOT(band)= -0.230310 trlgG= -0.286229 logG= -0.053338 TDE= -0.340006 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001222 tlogG= -0.005462 logG= -0.006684 Density= 0.081268 ETOT(band)= -0.086295 trlgG= -0.107276 logG= -0.006684 TDE= -0.042556 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004779 tlogG= -0.022305 logG= -0.027084 Density= 0.215219 ETOT(band)= -0.231786 trlgG= -0.288827 logG= -0.027084 TDE= -0.170187 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001274 tlogG= -0.005932 logG= -0.007207 Density= 0.080903 ETOT(band)= -0.087583 trlgG= -0.110261 logG= -0.007207 TDE= -0.042849 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005977 logG= -0.007250 Density= 0.081130 ETOT(band)= -0.087488 trlgG= -0.110317 logG= -0.007250 TDE= -0.042879 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005849 logG= -0.007119 Density= 0.080721 ETOT(band)= -0.087547 trlgG= -0.110065 logG= -0.007119 TDE= -0.042795 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023930 logG= -0.029098 Density= 0.216573 ETOT(band)= -0.233070 trlgG= -0.293852 logG= -0.029098 TDE= -0.171500 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005188 tlogG= -0.023735 logG= -0.028923 Density= 0.216464 ETOT(band)= -0.232872 trlgG= -0.293148 logG= -0.028923 TDE= -0.171359 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.024134 logG= -0.029132 Density= 0.214938 ETOT(band)= -0.233992 trlgG= -0.294252 logG= -0.029132 TDE= -0.171169 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023870 logG= -0.029222 Density= 0.215836 ETOT(band)= -0.233590 trlgG= -0.294281 logG= -0.029222 TDE= -0.171364 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005400 tlogG= -0.023657 logG= -0.029056 Density= 0.215599 ETOT(band)= -0.233441 trlgG= -0.293583 logG= -0.029056 TDE= -0.171186 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009402 tlogG= -0.046675 logG= -0.056077 Density= 0.428288 ETOT(band)= -0.465782 trlgG= -0.581303 logG= -0.056077 TDE= -0.341083 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.021278 logG= -0.026174 Density= 0.162783 ETOT(band)= -0.172868 trlgG= -0.215728 logG= -0.026174 TDE= -0.169816 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.008909 tlogG= -0.048056 logG= -0.056965 logGD-logG0= -0.009551 tlogG= -0.047734 logG= -0.057285 Density= 0.427580 ETOT(band)= -0.467560 trlgG= -0.585276 logG= -0.057285 TDE= -0.341362 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425948 ETOT(band)= -0.467976 trlgG= -0.585904 logG= -0.056965 TDE= -0.341645 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.007958 logG= -0.009384 Density= 0.070935 ETOT(band)= -0.077889 trlgG= -0.097360 logG= -0.009384 TDE= -0.056939 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009894 tlogG= -0.046355 logG= -0.056249 Density= 0.429918 ETOT(band)= -0.465218 trlgG= -0.580987 logG= -0.056249 TDE= -0.341197 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009597 tlogG= -0.047615 logG= -0.057212 Density= 0.427080 ETOT(band)= -0.468006 trlgG= -0.586417 logG= -0.057212 TDE= -0.341660 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004277 tlogG= -0.024110 logG= -0.028387 Density= 0.212382 ETOT(band)= -0.234188 trlgG= -0.293404 logG= -0.028387 TDE= -0.170910 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004411 tlogG= -0.023719 logG= -0.028130 Density= 0.213290 ETOT(band)= -0.233407 trlgG= -0.291490 logG= -0.028130 TDE= -0.170712 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009933 tlogG= -0.044580 logG= -0.054513 Density= 0.324564 ETOT(band)= -0.346433 trlgG= -0.431572 logG= -0.054513 TDE= -0.340646 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001184 tlogG= -0.005165 logG= -0.006350 logGD-logG0= -0.001578 tlogG= -0.006866 logG= -0.008445 Density= 0.040880 ETOT(band)= -0.042645 trlgG= -0.052753 logG= -0.008445 TDE= -0.056441 Density= 0.062597 ETOT(band)= -0.067495 trlgG= -0.084131 logG= -0.006350 TDE= -0.042343 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004945 tlogG= -0.022887 logG= -0.027832 Density= 0.214989 ETOT(band)= -0.232232 trlgG= -0.289424 logG= -0.027832 TDE= -0.170365 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.044581 logG= -0.054365 Density= 0.431979 ETOT(band)= -0.461760 trlgG= -0.574226 logG= -0.054365 TDE= -0.340282 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001566 tlogG= -0.007582 logG= -0.009147 Density= 0.071561 ETOT(band)= -0.077292 trlgG= -0.096067 logG= -0.009147 TDE= -0.056715 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005613 logG= -0.006847 Density= 0.080908 ETOT(band)= -0.086906 trlgG= -0.108510 logG= -0.006847 TDE= -0.042654 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005301 logG= -0.006504 logGD-logG0= -0.005211 tlogG= -0.023974 logG= -0.029185 Density= 0.215877 ETOT(band)= -0.233686 trlgG= -0.294552 logG= -0.029185 TDE= -0.171509 Density= 0.081624 ETOT(band)= -0.085630 trlgG= -0.106120 logG= -0.006504 TDE= -0.042445 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.023463 logG= -0.028694 Density= 0.215407 ETOT(band)= -0.233157 trlgG= -0.292637 logG= -0.028694 TDE= -0.171099 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.023772 logG= -0.029017 Density= 0.215527 ETOT(band)= -0.233591 trlgG= -0.293899 logG= -0.029017 TDE= -0.171356 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004579 tlogG= -0.023871 logG= -0.028449 Density= 0.213485 ETOT(band)= -0.233682 trlgG= -0.292219 logG= -0.028449 TDE= -0.170717 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.024094 logG= -0.029398 Density= 0.215909 ETOT(band)= -0.233841 trlgG= -0.294966 logG= -0.029398 TDE= -0.171540 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023973 logG= -0.029148 Density= 0.216540 ETOT(band)= -0.233174 trlgG= -0.294084 logG= -0.029148 TDE= -0.171526 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004753 tlogG= -0.023983 logG= -0.028735 Density= 0.321864 ETOT(band)= -0.350842 trlgG= -0.440926 logG= -0.028735 TDE= -0.171158 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.007109 logG= -0.008798 logGD-logG0= -0.005058 tlogG= -0.023934 logG= -0.028991 Density= 0.214538 ETOT(band)= -0.233918 trlgG= -0.293635 logG= -0.028991 TDE= -0.170995 Density= 0.072289 ETOT(band)= -0.076428 trlgG= -0.094759 logG= -0.008798 TDE= -0.056601 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005102 tlogG= -0.022417 logG= -0.027519 Density= 0.216554 ETOT(band)= -0.231124 trlgG= -0.288346 logG= -0.027519 TDE= -0.170500 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010379 tlogG= -0.047733 logG= -0.058112 Density= 0.324629 ETOT(band)= -0.349665 trlgG= -0.440623 logG= -0.058112 TDE= -0.342893 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.022269 logG= -0.027201 Density= 0.214456 ETOT(band)= -0.232271 trlgG= -0.289176 logG= -0.027201 TDE= -0.170100 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.023824 logG= -0.028878 logGD-logG0= -0.010425 tlogG= -0.047182 logG= -0.057607 Density= 0.215687 ETOT(band)= -0.233587 trlgG= -0.294001 logG= -0.028878 TDE= -0.171043 Density= 0.324412 ETOT(band)= -0.349297 trlgG= -0.439275 logG= -0.057607 TDE= -0.342501 logGD-logG0= -0.005166 tlogG= -0.022942 logG= -0.028108 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216410 ETOT(band)= -0.231919 trlgG= -0.290327 logG= -0.028108 TDE= -0.170834 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010653 tlogG= -0.047993 logG= -0.058646 logGD-logG0= -0.004897 tlogG= -0.022454 logG= -0.027351 Density= 0.215213 ETOT(band)= -0.231499 trlgG= -0.287785 logG= -0.027351 TDE= -0.170113 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323535 ETOT(band)= -0.350727 trlgG= -0.441952 logG= -0.058646 TDE= -0.342883 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004665 tlogG= -0.023345 logG= -0.028010 logGD-logG0= -0.010138 tlogG= -0.045589 logG= -0.055727 Density= 0.324324 ETOT(band)= -0.347700 trlgG= -0.434576 logG= -0.055727 TDE= -0.341322 logGD-logG0= -0.004765 tlogG= -0.023221 logG= -0.027985 Density= 0.321932 ETOT(band)= -0.349798 trlgG= -0.438355 logG= -0.028010 TDE= -0.170833 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213701 ETOT(band)= -0.233437 trlgG= -0.291948 logG= -0.027985 TDE= -0.170676 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.024140 logG= -0.029163 logGD-logG0= -0.005010 tlogG= -0.023224 logG= -0.028234 Density= 0.322733 ETOT(band)= -0.350959 trlgG= -0.441604 logG= -0.029163 TDE= -0.171164 Density= 0.321999 ETOT(band)= -0.350303 trlgG= -0.439202 logG= -0.028234 TDE= -0.170786 logGD-logG0= -0.009646 tlogG= -0.046561 logG= -0.056206 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322993 ETOT(band)= -0.348760 trlgG= -0.436005 logG= -0.056206 TDE= -0.341476 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.024063 logG= -0.029290 logGD-logG0= -0.010421 tlogG= -0.046363 logG= -0.056784 Density= 0.323352 ETOT(band)= -0.350933 trlgG= -0.442253 logG= -0.029290 TDE= -0.171353 Density= 0.324277 ETOT(band)= -0.348641 trlgG= -0.437191 logG= -0.056784 TDE= -0.341945 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.023812 logG= -0.028627 logGD-logG0= -0.004466 tlogG= -0.023566 logG= -0.028033 Density= 0.213776 ETOT(band)= -0.233967 trlgG= -0.293461 logG= -0.028627 TDE= -0.170980 Density= 0.212826 ETOT(band)= -0.233811 trlgG= -0.292460 logG= -0.028033 TDE= -0.170627 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023177 logG= -0.028323 Density= 0.215061 ETOT(band)= -0.232784 trlgG= -0.290949 logG= -0.028323 TDE= -0.170549 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005337 tlogG= -0.023930 logG= -0.029266 Density= 0.323945 ETOT(band)= -0.350404 trlgG= -0.441703 logG= -0.029266 TDE= -0.171412 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010103 tlogG= -0.048103 logG= -0.058206 logGD-logG0= -0.005413 tlogG= -0.023335 logG= -0.028748 Density= 0.429694 ETOT(band)= -0.467917 trlgG= -0.588064 logG= -0.058206 TDE= -0.342177 Density= 0.215300 ETOT(band)= -0.233183 trlgG= -0.292443 logG= -0.028748 TDE= -0.170893 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009466 tlogG= -0.046561 logG= -0.056027 Density= 0.428494 ETOT(band)= -0.466501 trlgG= -0.583905 logG= -0.056027 TDE= -0.341500 logGD-logG0= -0.010235 tlogG= -0.048178 logG= -0.058413 Density= 0.430427 ETOT(band)= -0.467923 trlgG= -0.588828 logG= -0.058413 TDE= -0.342386 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010210 tlogG= -0.047626 logG= -0.057836 Density= 0.428690 ETOT(band)= -0.467785 trlgG= -0.586624 logG= -0.057836 TDE= -0.341771 logGD-logG0= -0.010444 tlogG= -0.048028 logG= -0.058473 Density= 0.430532 ETOT(band)= -0.467754 trlgG= -0.588501 logG= -0.058473 TDE= -0.342512 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009601 tlogG= -0.047792 logG= -0.057394 Density= 0.428438 ETOT(band)= -0.467799 trlgG= -0.587291 logG= -0.057394 TDE= -0.342130 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010730 tlogG= -0.047638 logG= -0.058368 Density= 0.431473 ETOT(band)= -0.467128 trlgG= -0.588159 logG= -0.058368 TDE= -0.342636 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.021856 logG= -0.026923 Density= 0.216808 ETOT(band)= -0.230128 trlgG= -0.286235 logG= -0.026923 TDE= -0.170161 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009776 tlogG= -0.047808 logG= -0.057585 Density= 0.429530 ETOT(band)= -0.467580 trlgG= -0.587272 logG= -0.057585 TDE= -0.342118 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.047912 logG= -0.058183 Density= 0.429598 ETOT(band)= -0.467878 trlgG= -0.587704 logG= -0.058183 TDE= -0.342013 logGD-logG0= -0.010613 tlogG= -0.047688 logG= -0.058301 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431135 ETOT(band)= -0.467182 trlgG= -0.587796 logG= -0.058301 TDE= -0.342529 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009957 tlogG= -0.047513 logG= -0.057470 Density= 0.429003 ETOT(band)= -0.467132 trlgG= -0.585670 logG= -0.057470 TDE= -0.341816 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.046887 logG= -0.057163 logGD-logG0= -0.010654 tlogG= -0.047963 logG= -0.058617 Density= 0.430266 ETOT(band)= -0.466132 trlgG= -0.583674 logG= -0.057163 TDE= -0.341481 Density= 0.431713 ETOT(band)= -0.467410 trlgG= -0.589150 logG= -0.058617 TDE= -0.342901 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.021327 logG= -0.026306 Density= 0.217198 ETOT(band)= -0.229024 trlgG= -0.284036 logG= -0.026306 TDE= -0.169829 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010199 tlogG= -0.047527 logG= -0.057726 Density= 0.430397 ETOT(band)= -0.466777 trlgG= -0.585600 logG= -0.057726 TDE= -0.341926 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047227 logG= -0.057899 Density= 0.430865 ETOT(band)= -0.466759 trlgG= -0.586326 logG= -0.057899 TDE= -0.342146 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.022305 logG= -0.027124 Density= 0.323158 ETOT(band)= -0.347732 trlgG= -0.433620 logG= -0.027124 TDE= -0.170182 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004938 tlogG= -0.021182 logG= -0.026120 Density= 0.216527 ETOT(band)= -0.229882 trlgG= -0.285288 logG= -0.026120 TDE= -0.169736 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.581308708455 eV TrLogG= -407.026981744470 eV Ratio to renormalize= 0.999129756588 rho-rho_expected= 0.019162030702 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964396717880004 0.939867095944090 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000851 logG= -0.001047 Density= 0.004546 ETOT(band)= -0.004728 trlgG= -0.005845 logG= -0.001047 TDE= -0.007047 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002322 tlogG= -0.011861 logG= -0.014184 Density= 0.053603 ETOT(band)= -0.058330 trlgG= -0.073158 logG= -0.014184 TDE= -0.085500 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002598 tlogG= -0.012011 logG= -0.014610 logGD-logG0= -0.002417 tlogG= -0.012060 logG= -0.014477 Density= 0.053625 ETOT(band)= -0.058474 trlgG= -0.073520 logG= -0.014477 TDE= -0.085580 Density= 0.053802 ETOT(band)= -0.058465 trlgG= -0.073577 logG= -0.014610 TDE= -0.085591 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002331 tlogG= -0.011426 logG= -0.013757 Density= 0.053777 ETOT(band)= -0.058002 trlgG= -0.072397 logG= -0.013757 TDE= -0.085252 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008031 logG= -0.009431 Density= 0.035345 ETOT(band)= -0.039025 trlgG= -0.048897 logG= -0.009431 TDE= -0.056956 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002561 tlogG= -0.011959 logG= -0.014520 Density= 0.054172 ETOT(band)= -0.058231 trlgG= -0.073447 logG= -0.014520 TDE= -0.085734 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023714 logG= -0.028868 Density= 0.108249 ETOT(band)= -0.116411 trlgG= -0.146618 logG= -0.028868 TDE= -0.171316 logGD-logG0= -0.005149 tlogG= -0.023381 logG= -0.028530 Density= 0.108203 ETOT(band)= -0.116248 trlgG= -0.146082 logG= -0.028530 TDE= -0.171096 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024011 logG= -0.028319 Density= 0.106211 ETOT(band)= -0.117014 trlgG= -0.146566 logG= -0.028319 TDE= -0.170805 logGD-logG0= -0.001482 tlogG= -0.007798 logG= -0.009280 Density= 0.035522 ETOT(band)= -0.038877 trlgG= -0.048535 logG= -0.009280 TDE= -0.056833 logGD-logG0= -0.004824 tlogG= -0.023646 logG= -0.028469 logGD-logG0= -0.005037 tlogG= -0.022411 logG= -0.027448 Density= 0.107459 ETOT(band)= -0.116584 trlgG= -0.146185 logG= -0.028469 TDE= -0.170892 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.022935 logG= -0.028040 logGD-logG0= -0.005142 tlogG= -0.023900 logG= -0.029042 Density= 0.108208 ETOT(band)= -0.115978 trlgG= -0.145308 logG= -0.028040 TDE= -0.170815 Density= 0.108299 ETOT(band)= -0.116486 trlgG= -0.146897 logG= -0.029042 TDE= -0.171446 logGD-logG0= -0.004335 tlogG= -0.023934 logG= -0.028269 Density= 0.106262 ETOT(band)= -0.116971 trlgG= -0.146453 logG= -0.028269 TDE= -0.170768 Density= 0.108277 ETOT(band)= -0.115606 trlgG= -0.144363 logG= -0.027448 TDE= -0.170496 logGD-logG0= -0.005269 tlogG= -0.024031 logG= -0.029300 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.024050 logG= -0.029036 Density= 0.107459 ETOT(band)= -0.116894 trlgG= -0.146926 logG= -0.029036 TDE= -0.171067 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.022125 logG= -0.027079 Density= 0.107720 ETOT(band)= -0.116931 trlgG= -0.147300 logG= -0.029300 TDE= -0.171305 Density= 0.108431 ETOT(band)= -0.115302 trlgG= -0.143758 logG= -0.027079 TDE= -0.170337 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004528 tlogG= -0.024008 logG= -0.028537 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106479 ETOT(band)= -0.117005 trlgG= -0.146579 logG= -0.028537 TDE= -0.170733 logGD-logG0= -0.002630 tlogG= -0.011962 logG= -0.014592 Density= 0.054019 ETOT(band)= -0.058350 trlgG= -0.073565 logG= -0.014592 TDE= -0.085704 logGD-logG0= -0.005292 tlogG= -0.024034 logG= -0.029327 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023822 logG= -0.028951 Density= 0.108319 ETOT(band)= -0.116422 trlgG= -0.146748 logG= -0.028951 TDE= -0.171399 logGD-logG0= -0.004611 tlogG= -0.023167 logG= -0.027778 Density= 0.106823 ETOT(band)= -0.116479 trlgG= -0.145254 logG= -0.027778 TDE= -0.170337 Density= 0.107962 ETOT(band)= -0.116841 trlgG= -0.147367 logG= -0.029327 TDE= -0.171465 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023863 logG= -0.029165 logGD-logG0= -0.005278 tlogG= -0.023642 logG= -0.028920 Density= 0.107827 ETOT(band)= -0.116799 trlgG= -0.147087 logG= -0.029165 TDE= -0.171281 logGD-logG0= -0.005007 tlogG= -0.022367 logG= -0.027374 Density= 0.107713 ETOT(band)= -0.115829 trlgG= -0.144238 logG= -0.027374 TDE= -0.170165 logGD-logG0= -0.004698 tlogG= -0.022951 logG= -0.027650 Density= 0.106958 ETOT(band)= -0.116349 trlgG= -0.144992 logG= -0.027650 TDE= -0.170270 Density= 0.107312 ETOT(band)= -0.116862 trlgG= -0.146629 logG= -0.028920 TDE= -0.170812 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.022809 logG= -0.027667 logGD-logG0= -0.004979 tlogG= -0.023611 logG= -0.028590 logGD-logG0= -0.004720 tlogG= -0.023464 logG= -0.028183 Density= 0.106860 ETOT(band)= -0.116669 trlgG= -0.145739 logG= -0.028183 TDE= -0.170435 Density= 0.107825 ETOT(band)= -0.115958 trlgG= -0.144723 logG= -0.027667 TDE= -0.170413 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024080 logG= -0.029405 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023168 logG= -0.028267 Density= 0.108266 ETOT(band)= -0.116072 trlgG= -0.145664 logG= -0.028267 TDE= -0.170973 logGD-logG0= -0.005131 tlogG= -0.023556 logG= -0.028687 Density= 0.107886 ETOT(band)= -0.116928 trlgG= -0.147490 logG= -0.029405 TDE= -0.171473 logGD-logG0= -0.005222 tlogG= -0.023925 logG= -0.029146 Density= 0.107523 ETOT(band)= -0.116916 trlgG= -0.147026 logG= -0.029146 TDE= -0.171087 logGD-logG0= -0.005033 tlogG= -0.022687 logG= -0.027720 Density= 0.108275 ETOT(band)= -0.116296 trlgG= -0.146327 logG= -0.028687 TDE= -0.171220 Density= 0.108321 ETOT(band)= -0.115743 trlgG= -0.144799 logG= -0.027720 TDE= -0.170682 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107062 ETOT(band)= -0.116789 trlgG= -0.146077 logG= -0.028590 TDE= -0.170467 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.022836 logG= -0.027939 logGD-logG0= -0.004664 tlogG= -0.023632 logG= -0.028296 Density= 0.106686 ETOT(band)= -0.116813 trlgG= -0.146162 logG= -0.028296 TDE= -0.170659 Density= 0.107694 ETOT(band)= -0.116162 trlgG= -0.145131 logG= -0.027939 TDE= -0.170485 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.023641 logG= -0.028344 Density= 0.107061 ETOT(band)= -0.116699 trlgG= -0.146271 logG= -0.028344 TDE= -0.170905 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.024006 logG= -0.029274 logGD-logG0= -0.004884 tlogG= -0.023860 logG= -0.028744 Density= 0.108020 ETOT(band)= -0.116775 trlgG= -0.147280 logG= -0.029274 TDE= -0.171460 Density= 0.106843 ETOT(band)= -0.116969 trlgG= -0.146689 logG= -0.028744 TDE= -0.170817 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023528 logG= -0.028844 Density= 0.107875 ETOT(band)= -0.116572 trlgG= -0.146569 logG= -0.028844 TDE= -0.171107 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.024024 logG= -0.028898 Density= 0.107140 ETOT(band)= -0.116952 trlgG= -0.146947 logG= -0.028898 TDE= -0.171067 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023159 logG= -0.028450 Density= 0.107760 ETOT(band)= -0.116410 trlgG= -0.145940 logG= -0.028450 TDE= -0.170814 logGD-logG0= -0.004737 tlogG= -0.022808 logG= -0.027545 Density= 0.107379 ETOT(band)= -0.116099 trlgG= -0.144845 logG= -0.027545 TDE= -0.170436 logGD-logG0= -0.005279 tlogG= -0.023818 logG= -0.029097 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107989 ETOT(band)= -0.116669 trlgG= -0.146985 logG= -0.029097 TDE= -0.171326 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009501 tlogG= -0.047863 logG= -0.057363 logGD-logG0= -0.009770 tlogG= -0.048156 logG= -0.057926 Density= 0.214566 ETOT(band)= -0.233865 trlgG= -0.293972 logG= -0.057926 TDE= -0.342225 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009742 tlogG= -0.045503 logG= -0.055246 Density= 0.214529 ETOT(band)= -0.232380 trlgG= -0.289766 logG= -0.055246 TDE= -0.340681 logGD-logG0= -0.009639 tlogG= -0.047069 logG= -0.056708 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213938 ETOT(band)= -0.233456 trlgG= -0.292393 logG= -0.056708 TDE= -0.341552 Density= 0.213449 ETOT(band)= -0.233959 trlgG= -0.293100 logG= -0.057363 TDE= -0.341362 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009079 tlogG= -0.047556 logG= -0.056635 logGD-logG0= -0.009463 tlogG= -0.045675 logG= -0.055138 Density= 0.213105 ETOT(band)= -0.233748 trlgG= -0.292462 logG= -0.056635 TDE= -0.341282 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215179 ETOT(band)= -0.232035 trlgG= -0.289595 logG= -0.055138 TDE= -0.340938 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009916 tlogG= -0.047811 logG= -0.057727 Density= 0.214138 ETOT(band)= -0.233901 trlgG= -0.293656 logG= -0.057727 TDE= -0.341895 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.047935 logG= -0.058458 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010290 tlogG= -0.047899 logG= -0.058190 logGD-logG0= -0.010444 tlogG= -0.047999 logG= -0.058443 Density= 0.215228 ETOT(band)= -0.233850 trlgG= -0.294316 logG= -0.058443 TDE= -0.342378 Density= 0.215264 ETOT(band)= -0.233841 trlgG= -0.294342 logG= -0.058458 TDE= -0.342408 logGD-logG0= -0.010038 tlogG= -0.047943 logG= -0.057981 logGD-logG0= -0.001625 tlogG= -0.006977 logG= -0.008602 Density= 0.036219 ETOT(band)= -0.038085 trlgG= -0.047186 logG= -0.008602 TDE= -0.056507 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215231 ETOT(band)= -0.233705 trlgG= -0.293899 logG= -0.058190 TDE= -0.342217 logGD-logG0= -0.002404 tlogG= -0.010405 logG= -0.012809 Density= 0.054412 ETOT(band)= -0.057011 trlgG= -0.070602 logG= -0.012809 TDE= -0.084719 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010533 tlogG= -0.047838 logG= -0.058371 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214695 ETOT(band)= -0.233814 trlgG= -0.293725 logG= -0.057981 TDE= -0.341986 logGD-logG0= -0.009412 tlogG= -0.047359 logG= -0.056771 Density= 0.216044 ETOT(band)= -0.233422 trlgG= -0.294263 logG= -0.058371 TDE= -0.342801 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009776 tlogG= -0.047088 logG= -0.056864 Density= 0.214478 ETOT(band)= -0.233290 trlgG= -0.292528 logG= -0.056771 TDE= -0.341892 logGD-logG0= -0.001688 tlogG= -0.007292 logG= -0.008980 Density= 0.035870 ETOT(band)= -0.038531 trlgG= -0.047842 logG= -0.008980 TDE= -0.056613 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213949 ETOT(band)= -0.233501 trlgG= -0.292186 logG= -0.056864 TDE= -0.341194 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010353 tlogG= -0.047703 logG= -0.058056 logGD-logG0= -0.010490 tlogG= -0.047663 logG= -0.058153 Density= 0.214917 ETOT(band)= -0.233794 trlgG= -0.293802 logG= -0.058153 TDE= -0.342001 logGD-logG0= -0.010363 tlogG= -0.047242 logG= -0.057605 Density= 0.214427 ETOT(band)= -0.233685 trlgG= -0.292887 logG= -0.057605 TDE= -0.341391 Density= 0.214818 ETOT(band)= -0.233787 trlgG= -0.293632 logG= -0.058056 TDE= -0.341878 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002462 tlogG= -0.010820 logG= -0.013282 logGD-logG0= -0.010142 tlogG= -0.047586 logG= -0.057727 logGD-logG0= -0.010607 tlogG= -0.047425 logG= -0.058033 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214118 ETOT(band)= -0.233888 trlgG= -0.293409 logG= -0.057727 TDE= -0.341638 logGD-logG0= -0.009844 tlogG= -0.045567 logG= -0.055411 Density= 0.215309 ETOT(band)= -0.232112 trlgG= -0.289589 logG= -0.055411 TDE= -0.340723 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215850 ETOT(band)= -0.233304 trlgG= -0.293700 logG= -0.058033 TDE= -0.342481 logGD-logG0= -0.010633 tlogG= -0.048068 logG= -0.058701 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054100 ETOT(band)= -0.057526 trlgG= -0.071444 logG= -0.013282 TDE= -0.084933 logGD-logG0= -0.010543 tlogG= -0.047347 logG= -0.057890 Density= 0.215577 ETOT(band)= -0.233868 trlgG= -0.294781 logG= -0.058701 TDE= -0.342759 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215621 ETOT(band)= -0.233342 trlgG= -0.293456 logG= -0.057890 TDE= -0.342265 logGD-logG0= -0.010587 tlogG= -0.047786 logG= -0.058373 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010152 tlogG= -0.046334 logG= -0.056485 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215918 ETOT(band)= -0.233493 trlgG= -0.294262 logG= -0.058373 TDE= -0.342736 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215373 ETOT(band)= -0.232674 trlgG= -0.291215 logG= -0.056485 TDE= -0.341307 logGD-logG0= -0.009765 tlogG= -0.047139 logG= -0.056903 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010587 tlogG= -0.046804 logG= -0.057391 Density= 0.214642 ETOT(band)= -0.233254 trlgG= -0.292306 logG= -0.056903 TDE= -0.341618 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215584 ETOT(band)= -0.233066 trlgG= -0.292657 logG= -0.057391 TDE= -0.341948 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010063 tlogG= -0.047072 logG= -0.057135 Density= 0.215309 ETOT(band)= -0.233074 trlgG= -0.292228 logG= -0.057135 TDE= -0.341638 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.021830 logG= -0.026821 Density= 0.108396 ETOT(band)= -0.115117 trlgG= -0.143311 logG= -0.026821 TDE= -0.170130 logGD-logG0= -0.004905 tlogG= -0.021521 logG= -0.026426 Density= 0.108585 ETOT(band)= -0.114753 trlgG= -0.142635 logG= -0.026426 TDE= -0.169942 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005066 tlogG= -0.021776 logG= -0.026843 Density= 0.107866 ETOT(band)= -0.115403 trlgG= -0.143368 logG= -0.026843 TDE= -0.169902 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005008 tlogG= -0.021653 logG= -0.026661 Density= 0.108007 ETOT(band)= -0.115212 trlgG= -0.143060 logG= -0.026661 TDE= -0.169847 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004825 tlogG= -0.020946 logG= -0.025771 Density= 0.108778 ETOT(band)= -0.114168 trlgG= -0.141482 logG= -0.025771 TDE= -0.169539 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010009 tlogG= -0.043308 logG= -0.053317 Density= 0.216426 ETOT(band)= -0.230215 trlgG= -0.286100 logG= -0.053317 TDE= -0.339881 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005608 logG= -0.006845 Density= 0.080896 ETOT(band)= -0.086870 trlgG= -0.108460 logG= -0.006845 TDE= -0.042638 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005927 logG= -0.007204 Density= 0.080889 ETOT(band)= -0.087548 trlgG= -0.110210 logG= -0.007204 TDE= -0.042833 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005843 logG= -0.007116 Density= 0.080708 ETOT(band)= -0.087511 trlgG= -0.110013 logG= -0.007116 TDE= -0.042779 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005971 logG= -0.007247 Density= 0.081115 ETOT(band)= -0.087453 trlgG= -0.110266 logG= -0.007247 TDE= -0.042863 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005736 logG= -0.006994 logGD-logG0= -0.005257 tlogG= -0.023748 logG= -0.029005 Density= 0.080696 ETOT(band)= -0.087296 trlgG= -0.109459 logG= -0.006994 TDE= -0.042714 Density= 0.215489 ETOT(band)= -0.233495 trlgG= -0.293763 logG= -0.029005 TDE= -0.171290 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023950 logG= -0.029174 Density= 0.215837 ETOT(band)= -0.233592 trlgG= -0.294414 logG= -0.029174 TDE= -0.171443 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.023445 logG= -0.028682 Density= 0.215372 ETOT(band)= -0.233060 trlgG= -0.292500 logG= -0.028682 TDE= -0.171034 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.023850 logG= -0.028742 Density= 0.213959 ETOT(band)= -0.233728 trlgG= -0.292580 logG= -0.028742 TDE= -0.170658 logGD-logG0= -0.005188 tlogG= -0.023949 logG= -0.029136 Density= 0.216498 ETOT(band)= -0.233082 trlgG= -0.293951 logG= -0.029136 TDE= -0.171461 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004773 tlogG= -0.023199 logG= -0.027972 Density= 0.213674 ETOT(band)= -0.233332 trlgG= -0.291802 logG= -0.027972 TDE= -0.170611 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023804 logG= -0.028865 Density= 0.215649 ETOT(band)= -0.233492 trlgG= -0.293863 logG= -0.028865 TDE= -0.170977 logGD-logG0= -0.004281 tlogG= -0.024091 logG= -0.028372 Density= 0.212360 ETOT(band)= -0.234078 trlgG= -0.293254 logG= -0.028372 TDE= -0.170844 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004642 tlogG= -0.023326 logG= -0.027969 Density= 0.214352 ETOT(band)= -0.233095 trlgG= -0.291922 logG= -0.027969 TDE= -0.170776 logGD-logG0= -0.004823 tlogG= -0.023791 logG= -0.028614 Density= 0.213747 ETOT(band)= -0.233864 trlgG= -0.293316 logG= -0.028614 TDE= -0.170914 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023162 logG= -0.028310 Density= 0.215029 ETOT(band)= -0.232685 trlgG= -0.290810 logG= -0.028310 TDE= -0.170483 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.024069 logG= -0.029385 Density= 0.215869 ETOT(band)= -0.233746 trlgG= -0.294827 logG= -0.029385 TDE= -0.171473 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004761 tlogG= -0.023961 logG= -0.028722 Density= 0.321814 ETOT(band)= -0.350691 trlgG= -0.440715 logG= -0.028722 TDE= -0.171092 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.022397 logG= -0.027507 Density= 0.216518 ETOT(band)= -0.231030 trlgG= -0.288215 logG= -0.027507 TDE= -0.170437 logGD-logG0= -0.005181 tlogG= -0.023906 logG= -0.029087 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216532 ETOT(band)= -0.232978 trlgG= -0.293720 logG= -0.029087 TDE= -0.171434 logGD-logG0= -0.005066 tlogG= -0.023913 logG= -0.028978 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214505 ETOT(band)= -0.233818 trlgG= -0.293492 logG= -0.028978 TDE= -0.170930 logGD-logG0= -0.004472 tlogG= -0.023547 logG= -0.028019 Density= 0.212802 ETOT(band)= -0.233703 trlgG= -0.292312 logG= -0.028019 TDE= -0.170562 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010405 tlogG= -0.047685 logG= -0.058089 Density= 0.324567 ETOT(band)= -0.349526 trlgG= -0.440423 logG= -0.058089 TDE= -0.342762 logGD-logG0= -0.005206 tlogG= -0.023365 logG= -0.028571 Density= 0.216345 ETOT(band)= -0.232399 trlgG= -0.291808 logG= -0.028571 TDE= -0.171055 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.024119 logG= -0.029150 Density= 0.322678 ETOT(band)= -0.350813 trlgG= -0.441393 logG= -0.029150 TDE= -0.171099 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.047135 logG= -0.057584 Density= 0.324353 ETOT(band)= -0.349158 trlgG= -0.439075 logG= -0.057584 TDE= -0.342370 logGD-logG0= -0.001187 tlogG= -0.005161 logG= -0.006347 Density= 0.062589 ETOT(band)= -0.067465 trlgG= -0.084090 logG= -0.006347 TDE= -0.042328 logGD-logG0= -0.001582 tlogG= -0.006860 logG= -0.008442 Density= 0.040873 ETOT(band)= -0.042629 trlgG= -0.052731 logG= -0.008442 TDE= -0.056421 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010668 tlogG= -0.047953 logG= -0.058621 logGD-logG0= -0.004416 tlogG= -0.023700 logG= -0.028116 Density= 0.213265 ETOT(band)= -0.233301 trlgG= -0.291344 logG= -0.028116 TDE= -0.170646 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004582 tlogG= -0.023853 logG= -0.028435 Density= 0.213458 ETOT(band)= -0.233577 trlgG= -0.292076 logG= -0.028435 TDE= -0.170652 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.022920 logG= -0.028097 Density= 0.323477 ETOT(band)= -0.350583 trlgG= -0.441743 logG= -0.058621 TDE= -0.342749 logGD-logG0= -0.005006 tlogG= -0.024113 logG= -0.029119 Density= 0.214902 ETOT(band)= -0.233893 trlgG= -0.294111 logG= -0.029119 TDE= -0.171104 Density= 0.216374 ETOT(band)= -0.231826 trlgG= -0.290195 logG= -0.028097 TDE= -0.170769 logGD-logG0= -0.004556 tlogG= -0.023936 logG= -0.028492 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005200 tlogG= -0.023711 logG= -0.028912 Density= 0.212990 ETOT(band)= -0.233981 trlgG= -0.293064 logG= -0.028492 TDE= -0.170700 logGD-logG0= -0.010150 tlogG= -0.045554 logG= -0.055704 Density= 0.216423 ETOT(band)= -0.232780 trlgG= -0.293015 logG= -0.028912 TDE= -0.171293 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324271 ETOT(band)= -0.347558 trlgG= -0.434376 logG= -0.055704 TDE= -0.341194 logGD-logG0= -0.005233 tlogG= -0.024044 logG= -0.029277 Density= 0.323293 ETOT(band)= -0.350789 trlgG= -0.442042 logG= -0.029277 TDE= -0.171286 logGD-logG0= -0.009661 tlogG= -0.046521 logG= -0.056181 Density= 0.322944 ETOT(band)= -0.348613 trlgG= -0.435800 logG= -0.056181 TDE= -0.341348 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.007952 logG= -0.009379 Density= 0.070928 ETOT(band)= -0.077853 trlgG= -0.097311 logG= -0.009379 TDE= -0.056917 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.023205 logG= -0.028221 Density= 0.321949 ETOT(band)= -0.350154 trlgG= -0.438992 logG= -0.028221 TDE= -0.170721 logGD-logG0= -0.005350 tlogG= -0.023905 logG= -0.029254 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323885 ETOT(band)= -0.350263 trlgG= -0.441498 logG= -0.029254 TDE= -0.171346 logGD-logG0= -0.004949 tlogG= -0.022870 logG= -0.027819 Density= 0.214959 ETOT(band)= -0.232132 trlgG= -0.289286 logG= -0.027819 TDE= -0.170300 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010442 tlogG= -0.046318 logG= -0.056761 Density= 0.324221 ETOT(band)= -0.348500 trlgG= -0.436990 logG= -0.056761 TDE= -0.341815 logGD-logG0= -0.004728 tlogG= -0.023962 logG= -0.028690 Density= 0.214289 ETOT(band)= -0.233806 trlgG= -0.293711 logG= -0.028690 TDE= -0.171097 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004674 tlogG= -0.023324 logG= -0.027997 Density= 0.321885 ETOT(band)= -0.349646 trlgG= -0.438144 logG= -0.027997 TDE= -0.170768 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023632 logG= -0.029044 Density= 0.215561 ETOT(band)= -0.233346 trlgG= -0.293445 logG= -0.029044 TDE= -0.171120 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.007575 logG= -0.009143 Density= 0.071552 ETOT(band)= -0.077258 trlgG= -0.096021 logG= -0.009143 TDE= -0.056693 logGD-logG0= -0.005417 tlogG= -0.023319 logG= -0.028736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215264 ETOT(band)= -0.233086 trlgG= -0.292303 logG= -0.028736 TDE= -0.170827 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009617 tlogG= -0.047750 logG= -0.057367 logGD-logG0= -0.009411 tlogG= -0.046640 logG= -0.056050 Density= 0.428375 ETOT(band)= -0.467595 trlgG= -0.587006 logG= -0.057367 TDE= -0.341999 Density= 0.428233 ETOT(band)= -0.465577 trlgG= -0.581017 logG= -0.056050 TDE= -0.340952 logGD-logG0= -0.008917 tlogG= -0.048020 logG= -0.056936 Density= 0.425898 ETOT(band)= -0.467761 trlgG= -0.585613 logG= -0.056936 TDE= -0.341515 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.021258 logG= -0.026164 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009483 tlogG= -0.046519 logG= -0.056002 Density= 0.162755 ETOT(band)= -0.172799 trlgG= -0.215633 logG= -0.026164 TDE= -0.169755 Density= 0.428436 ETOT(band)= -0.466296 trlgG= -0.583621 logG= -0.056002 TDE= -0.341370 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010248 tlogG= -0.048138 logG= -0.058386 logGD-logG0= -0.010219 tlogG= -0.047590 logG= -0.057809 Density= 0.430352 ETOT(band)= -0.467728 trlgG= -0.588544 logG= -0.058386 TDE= -0.342252 Density= 0.428624 ETOT(band)= -0.467583 trlgG= -0.586340 logG= -0.057809 TDE= -0.341640 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009602 tlogG= -0.047583 logG= -0.057185 Density= 0.427023 ETOT(band)= -0.467797 trlgG= -0.586125 logG= -0.057185 TDE= -0.341528 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010457 tlogG= -0.047990 logG= -0.058447 Density= 0.430458 ETOT(band)= -0.467559 trlgG= -0.588218 logG= -0.058447 TDE= -0.342377 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009791 tlogG= -0.047768 logG= -0.057558 logGD-logG0= -0.010624 tlogG= -0.047651 logG= -0.058275 logGD-logG0= -0.010285 tlogG= -0.047871 logG= -0.058156 Density= 0.429528 ETOT(band)= -0.467679 trlgG= -0.587419 logG= -0.058156 TDE= -0.341880 Density= 0.429462 ETOT(band)= -0.467380 trlgG= -0.586995 logG= -0.057558 TDE= -0.341989 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431058 ETOT(band)= -0.466991 trlgG= -0.587518 logG= -0.058275 TDE= -0.342396 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010754 tlogG= -0.047588 logG= -0.058343 logGD-logG0= -0.005365 tlogG= -0.023845 logG= -0.029210 Density= 0.431395 ETOT(band)= -0.466938 trlgG= -0.587883 logG= -0.058343 TDE= -0.342503 Density= 0.215796 ETOT(band)= -0.233495 trlgG= -0.294144 logG= -0.029210 TDE= -0.171297 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010118 tlogG= -0.048062 logG= -0.058179 Density= 0.429623 ETOT(band)= -0.467719 trlgG= -0.587782 logG= -0.058179 TDE= -0.342048 logGD-logG0= -0.010679 tlogG= -0.047912 logG= -0.058592 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431634 ETOT(band)= -0.467220 trlgG= -0.588874 logG= -0.058592 TDE= -0.342767 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009909 tlogG= -0.046315 logG= -0.056224 Density= 0.429856 ETOT(band)= -0.465020 trlgG= -0.580711 logG= -0.056224 TDE= -0.341068 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009556 tlogG= -0.047701 logG= -0.057258 Density= 0.427522 ETOT(band)= -0.467353 trlgG= -0.584988 logG= -0.057258 TDE= -0.341231 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046849 logG= -0.057137 Density= 0.430199 ETOT(band)= -0.465936 trlgG= -0.583394 logG= -0.057137 TDE= -0.341349 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009972 tlogG= -0.047471 logG= -0.057443 Density= 0.428940 ETOT(band)= -0.466930 trlgG= -0.585390 logG= -0.057443 TDE= -0.341686 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004788 tlogG= -0.022284 logG= -0.027072 logGD-logG0= -0.010685 tlogG= -0.047190 logG= -0.057874 logGD-logG0= -0.001205 tlogG= -0.005296 logG= -0.006501 Density= 0.081610 ETOT(band)= -0.085596 trlgG= -0.106074 logG= -0.006501 TDE= -0.042430 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215189 ETOT(band)= -0.231687 trlgG= -0.288690 logG= -0.027072 TDE= -0.170123 Density= 0.430791 ETOT(band)= -0.466566 trlgG= -0.586048 logG= -0.057874 TDE= -0.342012 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010212 tlogG= -0.047488 logG= -0.057700 Density= 0.430326 ETOT(band)= -0.466582 trlgG= -0.585319 logG= -0.057700 TDE= -0.341793 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.022286 logG= -0.027113 Density= 0.323111 ETOT(band)= -0.347585 trlgG= -0.433415 logG= -0.027113 TDE= -0.170118 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009948 tlogG= -0.044543 logG= -0.054490 Density= 0.324512 ETOT(band)= -0.346292 trlgG= -0.431376 logG= -0.054490 TDE= -0.340519 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005457 logG= -0.006681 Density= 0.081255 ETOT(band)= -0.086260 trlgG= -0.107228 logG= -0.006681 TDE= -0.042541 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001693 tlogG= -0.007102 logG= -0.008795 Density= 0.072278 ETOT(band)= -0.076397 trlgG= -0.094717 logG= -0.008795 TDE= -0.056580 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004941 tlogG= -0.022249 logG= -0.027190 Density= 0.214428 ETOT(band)= -0.232169 trlgG= -0.289035 logG= -0.027190 TDE= -0.170035 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004903 tlogG= -0.022436 logG= -0.027339 Density= 0.215183 ETOT(band)= -0.231400 trlgG= -0.287649 logG= -0.027339 TDE= -0.170048 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.021835 logG= -0.026912 Density= 0.216773 ETOT(band)= -0.230035 trlgG= -0.286107 logG= -0.026912 TDE= -0.170098 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004948 tlogG= -0.021162 logG= -0.026110 Density= 0.216494 ETOT(band)= -0.229788 trlgG= -0.285160 logG= -0.026110 TDE= -0.169674 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009801 tlogG= -0.044541 logG= -0.054342 Density= 0.431914 ETOT(band)= -0.461567 trlgG= -0.573961 logG= -0.054342 TDE= -0.340154 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004989 tlogG= -0.021306 logG= -0.026296 Density= 0.217162 ETOT(band)= -0.228933 trlgG= -0.283912 logG= -0.026296 TDE= -0.169767 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.444378090475 eV TrLogG= -406.810333052826 eV Ratio to renormalize= 0.999287661334 rho-rho_expected= 0.015682621987 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964373473184723 0.939839639233094 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005851 logG= -0.001051 TDE= -0.007047 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002349 tlogG= -0.011890 logG= -0.014239 logGD-logG0= -0.002626 tlogG= -0.012040 logG= -0.014666 Density= 0.053563 ETOT(band)= -0.058339 trlgG= -0.073234 logG= -0.014239 TDE= -0.085500 Density= 0.053761 ETOT(band)= -0.058475 trlgG= -0.073654 logG= -0.014666 TDE= -0.085591 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002357 tlogG= -0.011455 logG= -0.013812 Density= 0.053738 ETOT(band)= -0.058010 trlgG= -0.072472 logG= -0.013812 TDE= -0.085252 logGD-logG0= -0.001502 tlogG= -0.007815 logG= -0.009317 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035497 ETOT(band)= -0.038881 trlgG= -0.048584 logG= -0.009317 TDE= -0.056833 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.008048 logG= -0.009468 Density= 0.035319 ETOT(band)= -0.039030 trlgG= -0.048946 logG= -0.009468 TDE= -0.056956 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.012089 logG= -0.014533 Density= 0.053585 ETOT(band)= -0.058484 trlgG= -0.073596 logG= -0.014533 TDE= -0.085580 logGD-logG0= -0.002586 tlogG= -0.011991 logG= -0.014576 Density= 0.054131 ETOT(band)= -0.058242 trlgG= -0.073523 logG= -0.014576 TDE= -0.085734 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023445 logG= -0.028642 logGD-logG0= -0.005191 tlogG= -0.023964 logG= -0.029155 logGD-logG0= -0.005203 tlogG= -0.023778 logG= -0.028981 Density= 0.108167 ETOT(band)= -0.116433 trlgG= -0.146771 logG= -0.028981 TDE= -0.171317 Density= 0.108121 ETOT(band)= -0.116270 trlgG= -0.146235 logG= -0.028642 TDE= -0.171097 Density= 0.108216 ETOT(band)= -0.116509 trlgG= -0.147050 logG= -0.029155 TDE= -0.171447 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004393 tlogG= -0.023986 logG= -0.028380 logGD-logG0= -0.004878 tlogG= -0.023703 logG= -0.028581 logGD-logG0= -0.005002 tlogG= -0.022188 logG= -0.027190 Density= 0.107379 ETOT(band)= -0.116603 trlgG= -0.146338 logG= -0.028581 TDE= -0.170893 Density= 0.108351 ETOT(band)= -0.115322 trlgG= -0.143910 logG= -0.027190 TDE= -0.170337 Density= 0.106185 ETOT(band)= -0.116985 trlgG= -0.146602 logG= -0.028380 TDE= -0.170768 logGD-logG0= -0.005326 tlogG= -0.024088 logG= -0.029414 Density= 0.107637 ETOT(band)= -0.116953 trlgG= -0.147454 logG= -0.029414 TDE= -0.171305 logGD-logG0= -0.004589 tlogG= -0.024060 logG= -0.028648 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106400 ETOT(band)= -0.117020 trlgG= -0.146729 logG= -0.028648 TDE= -0.170733 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.022475 logG= -0.027560 logGD-logG0= -0.005154 tlogG= -0.022998 logG= -0.028153 Density= 0.108127 ETOT(band)= -0.116000 trlgG= -0.145461 logG= -0.028153 TDE= -0.170815 Density= 0.108196 ETOT(band)= -0.115627 trlgG= -0.144515 logG= -0.027560 TDE= -0.170496 logGD-logG0= -0.002654 tlogG= -0.011994 logG= -0.014648 logGD-logG0= -0.004670 tlogG= -0.023218 logG= -0.027888 Density= 0.053978 ETOT(band)= -0.058361 trlgG= -0.073641 logG= -0.014648 TDE= -0.085704 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023885 logG= -0.029063 Density= 0.108237 ETOT(band)= -0.116445 trlgG= -0.146902 logG= -0.029063 TDE= -0.171400 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106748 ETOT(band)= -0.116492 trlgG= -0.145402 logG= -0.027888 TDE= -0.170338 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023661 logG= -0.028702 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106983 ETOT(band)= -0.116806 trlgG= -0.146229 logG= -0.028702 TDE= -0.170467 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023920 logG= -0.029278 Density= 0.107745 ETOT(band)= -0.116820 trlgG= -0.147241 logG= -0.029278 TDE= -0.171281 logGD-logG0= -0.005334 tlogG= -0.023698 logG= -0.029033 logGD-logG0= -0.004912 tlogG= -0.022866 logG= -0.027778 Density= 0.107746 ETOT(band)= -0.115977 trlgG= -0.144874 logG= -0.027778 TDE= -0.170414 Density= 0.107232 ETOT(band)= -0.116881 trlgG= -0.146781 logG= -0.029033 TDE= -0.170812 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023231 logG= -0.028379 Density= 0.108185 ETOT(band)= -0.116094 trlgG= -0.145818 logG= -0.028379 TDE= -0.170974 logGD-logG0= -0.005081 tlogG= -0.022751 logG= -0.027832 Density= 0.108240 ETOT(band)= -0.115764 trlgG= -0.144952 logG= -0.027832 TDE= -0.170682 logGD-logG0= -0.005278 tlogG= -0.023982 logG= -0.029259 logGD-logG0= -0.005180 tlogG= -0.023620 logG= -0.028799 Density= 0.108193 ETOT(band)= -0.116318 trlgG= -0.146481 logG= -0.028799 TDE= -0.171220 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107442 ETOT(band)= -0.116936 trlgG= -0.147179 logG= -0.029259 TDE= -0.171087 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.022424 logG= -0.027485 Density= 0.107636 ETOT(band)= -0.115846 trlgG= -0.144387 logG= -0.027485 TDE= -0.170166 logGD-logG0= -0.004780 tlogG= -0.023515 logG= -0.028294 Density= 0.106783 ETOT(band)= -0.116684 trlgG= -0.145888 logG= -0.028294 TDE= -0.170435 logGD-logG0= -0.004724 tlogG= -0.023683 logG= -0.028407 logGD-logG0= -0.005342 tlogG= -0.024098 logG= -0.029440 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023003 logG= -0.027760 Density= 0.106882 ETOT(band)= -0.116363 trlgG= -0.145140 logG= -0.027760 TDE= -0.170271 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.022893 logG= -0.028050 Density= 0.107616 ETOT(band)= -0.116180 trlgG= -0.145282 logG= -0.028050 TDE= -0.170485 Density= 0.106608 ETOT(band)= -0.116829 trlgG= -0.146312 logG= -0.028407 TDE= -0.170659 Density= 0.107879 ETOT(band)= -0.116864 trlgG= -0.147522 logG= -0.029440 TDE= -0.171466 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.024107 logG= -0.029149 logGD-logG0= -0.004756 tlogG= -0.023700 logG= -0.028456 Density= 0.107378 ETOT(band)= -0.116914 trlgG= -0.147080 logG= -0.029149 TDE= -0.171067 Density= 0.106981 ETOT(band)= -0.116716 trlgG= -0.146422 logG= -0.028456 TDE= -0.170906 logGD-logG0= -0.004929 tlogG= -0.024082 logG= -0.029011 Density= 0.107059 ETOT(band)= -0.116971 trlgG= -0.147100 logG= -0.029011 TDE= -0.171067 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.024144 logG= -0.029518 Density= 0.107803 ETOT(band)= -0.116951 trlgG= -0.147645 logG= -0.029518 TDE= -0.171473 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023215 logG= -0.028563 Density= 0.107680 ETOT(band)= -0.116430 trlgG= -0.146092 logG= -0.028563 TDE= -0.170815 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004366 tlogG= -0.024063 logG= -0.028430 logGD-logG0= -0.004790 tlogG= -0.022866 logG= -0.027656 Density= 0.106134 ETOT(band)= -0.117028 trlgG= -0.146715 logG= -0.028430 TDE= -0.170805 logGD-logG0= -0.005328 tlogG= -0.023883 logG= -0.029210 logGD-logG0= -0.004946 tlogG= -0.023911 logG= -0.028856 Density= 0.107907 ETOT(band)= -0.116691 trlgG= -0.147138 logG= -0.029210 TDE= -0.171326 Density= 0.107302 ETOT(band)= -0.116115 trlgG= -0.144994 logG= -0.027656 TDE= -0.170436 Density= 0.106764 ETOT(band)= -0.116986 trlgG= -0.146841 logG= -0.028856 TDE= -0.170817 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009880 tlogG= -0.048271 logG= -0.058151 Density= 0.214404 ETOT(band)= -0.233905 trlgG= -0.294279 logG= -0.058151 TDE= -0.342225 logGD-logG0= -0.005317 tlogG= -0.024070 logG= -0.029387 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107938 ETOT(band)= -0.116797 trlgG= -0.147434 logG= -0.029387 TDE= -0.171461 logGD-logG0= -0.009198 tlogG= -0.047659 logG= -0.056857 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212951 ETOT(band)= -0.233777 trlgG= -0.292761 logG= -0.056857 TDE= -0.341282 logGD-logG0= -0.005364 tlogG= -0.023592 logG= -0.028957 logGD-logG0= -0.009570 tlogG= -0.045790 logG= -0.055360 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107794 ETOT(band)= -0.116593 trlgG= -0.146722 logG= -0.028957 TDE= -0.171107 Density= 0.215022 ETOT(band)= -0.232070 trlgG= -0.289894 logG= -0.055360 TDE= -0.340938 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010025 tlogG= -0.047927 logG= -0.057952 Density= 0.213977 ETOT(band)= -0.233938 trlgG= -0.293961 logG= -0.057952 TDE= -0.341896 logGD-logG0= -0.009746 tlogG= -0.047186 logG= -0.056931 Density= 0.213781 ETOT(band)= -0.233489 trlgG= -0.292694 logG= -0.056931 TDE= -0.341552 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.010436 logG= -0.012864 logGD-logG0= -0.010556 tlogG= -0.048113 logG= -0.058669 Density= 0.054372 ETOT(band)= -0.057021 trlgG= -0.070677 logG= -0.012864 TDE= -0.084719 Density= 0.215065 ETOT(band)= -0.233892 trlgG= -0.294623 logG= -0.058669 TDE= -0.342379 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009898 tlogG= -0.047189 logG= -0.057087 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213792 ETOT(band)= -0.233534 trlgG= -0.292487 logG= -0.057087 TDE= -0.341195 logGD-logG0= -0.010601 tlogG= -0.047777 logG= -0.058378 Density= 0.214755 ETOT(band)= -0.233834 trlgG= -0.294109 logG= -0.058378 TDE= -0.342002 logGD-logG0= -0.009520 tlogG= -0.047475 logG= -0.056994 logGD-logG0= -0.009623 tlogG= -0.047964 logG= -0.057587 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214318 ETOT(band)= -0.233327 trlgG= -0.292832 logG= -0.056994 TDE= -0.341893 Density= 0.213291 ETOT(band)= -0.233992 trlgG= -0.293402 logG= -0.057587 TDE= -0.341362 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001641 tlogG= -0.006998 logG= -0.008639 logGD-logG0= -0.010465 tlogG= -0.047818 logG= -0.058282 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048013 logG= -0.058416 Density= 0.215067 ETOT(band)= -0.233747 trlgG= -0.294207 logG= -0.058416 TDE= -0.342217 Density= 0.214656 ETOT(band)= -0.233827 trlgG= -0.293938 logG= -0.058282 TDE= -0.341878 Density= 0.036193 ETOT(band)= -0.038092 trlgG= -0.047236 logG= -0.008639 TDE= -0.056507 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010149 tlogG= -0.048058 logG= -0.058207 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.048048 logG= -0.058684 Density= 0.215101 ETOT(band)= -0.233883 trlgG= -0.294650 logG= -0.058684 TDE= -0.342409 logGD-logG0= -0.010260 tlogG= -0.047693 logG= -0.057952 Density= 0.213958 ETOT(band)= -0.233925 trlgG= -0.293713 logG= -0.057952 TDE= -0.341638 Density= 0.214533 ETOT(band)= -0.233854 trlgG= -0.294031 logG= -0.058207 TDE= -0.341986 logGD-logG0= -0.009952 tlogG= -0.045682 logG= -0.055633 Density= 0.215152 ETOT(band)= -0.232147 trlgG= -0.289889 logG= -0.055633 TDE= -0.340724 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009848 tlogG= -0.045619 logG= -0.055467 logGD-logG0= -0.010704 tlogG= -0.047554 logG= -0.058258 Density= 0.214376 ETOT(band)= -0.232411 trlgG= -0.290064 logG= -0.055467 TDE= -0.340681 Density= 0.215687 ETOT(band)= -0.233347 trlgG= -0.294006 logG= -0.058258 TDE= -0.342481 logGD-logG0= -0.010656 tlogG= -0.047459 logG= -0.058116 logGD-logG0= -0.010484 tlogG= -0.047346 logG= -0.057830 Density= 0.214268 ETOT(band)= -0.233722 trlgG= -0.293191 logG= -0.057830 TDE= -0.341392 logGD-logG0= -0.010631 tlogG= -0.047966 logG= -0.058597 Density= 0.215880 ETOT(band)= -0.233466 trlgG= -0.294571 logG= -0.058597 TDE= -0.342802 Density= 0.215458 ETOT(band)= -0.233384 trlgG= -0.293762 logG= -0.058116 TDE= -0.342266 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001707 tlogG= -0.007309 logG= -0.009016 Density= 0.035845 ETOT(band)= -0.038536 trlgG= -0.047891 logG= -0.009016 TDE= -0.056613 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.046447 logG= -0.056709 Density= 0.215214 ETOT(band)= -0.232712 trlgG= -0.291518 logG= -0.056709 TDE= -0.341307 logGD-logG0= -0.010748 tlogG= -0.048181 logG= -0.058928 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215412 ETOT(band)= -0.233913 trlgG= -0.295091 logG= -0.058928 TDE= -0.342759 logGD-logG0= -0.010685 tlogG= -0.047914 logG= -0.058599 Density= 0.215753 ETOT(band)= -0.233537 trlgG= -0.294570 logG= -0.058599 TDE= -0.342736 logGD-logG0= -0.010699 tlogG= -0.046917 logG= -0.057616 logGD-logG0= -0.009874 tlogG= -0.047254 logG= -0.057127 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215422 ETOT(band)= -0.233107 trlgG= -0.292963 logG= -0.057616 TDE= -0.341948 Density= 0.214482 ETOT(band)= -0.233291 trlgG= -0.292609 logG= -0.057127 TDE= -0.341618 logGD-logG0= -0.002489 tlogG= -0.010849 logG= -0.013338 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054061 ETOT(band)= -0.057534 trlgG= -0.071518 logG= -0.013338 TDE= -0.084933 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010174 tlogG= -0.047186 logG= -0.057360 Density= 0.215147 ETOT(band)= -0.233113 trlgG= -0.292533 logG= -0.057360 TDE= -0.341639 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021894 logG= -0.026932 Density= 0.108316 ETOT(band)= -0.115137 trlgG= -0.143462 logG= -0.026932 TDE= -0.170130 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004872 tlogG= -0.021009 logG= -0.025882 Density= 0.108699 ETOT(band)= -0.114188 trlgG= -0.141632 logG= -0.025882 TDE= -0.169540 logGD-logG0= -0.004952 tlogG= -0.021584 logG= -0.026536 Density= 0.108505 ETOT(band)= -0.114773 trlgG= -0.142785 logG= -0.026536 TDE= -0.169943 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.021710 logG= -0.026771 Density= 0.107931 ETOT(band)= -0.115229 trlgG= -0.143209 logG= -0.026771 TDE= -0.169847 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010115 tlogG= -0.043423 logG= -0.053538 Density= 0.216270 ETOT(band)= -0.230251 trlgG= -0.286399 logG= -0.053538 TDE= -0.339882 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005119 tlogG= -0.021834 logG= -0.026953 Density= 0.107789 ETOT(band)= -0.115419 trlgG= -0.143516 logG= -0.026953 TDE= -0.169903 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001447 tlogG= -0.007969 logG= -0.009416 Density= 0.070877 ETOT(band)= -0.077861 trlgG= -0.097409 logG= -0.009416 TDE= -0.056917 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005943 logG= -0.007232 Density= 0.080827 ETOT(band)= -0.087564 trlgG= -0.110325 logG= -0.007232 TDE= -0.042833 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005752 logG= -0.007022 logGD-logG0= -0.001249 tlogG= -0.005624 logG= -0.006873 Density= 0.080836 ETOT(band)= -0.086884 trlgG= -0.108573 logG= -0.006873 TDE= -0.042638 Density= 0.080636 ETOT(band)= -0.087310 trlgG= -0.109573 logG= -0.007022 TDE= -0.042714 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005987 logG= -0.007275 Density= 0.081053 ETOT(band)= -0.087470 trlgG= -0.110382 logG= -0.007275 TDE= -0.042863 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.005859 logG= -0.007144 Density= 0.080646 ETOT(band)= -0.087526 trlgG= -0.110128 logG= -0.007144 TDE= -0.042779 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004474 tlogG= -0.023752 logG= -0.028227 logGD-logG0= -0.001199 tlogG= -0.005176 logG= -0.006375 Density= 0.062543 ETOT(band)= -0.067474 trlgG= -0.084178 logG= -0.006375 TDE= -0.042328 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213114 ETOT(band)= -0.233328 trlgG= -0.291639 logG= -0.028227 TDE= -0.170647 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.024014 logG= -0.029287 logGD-logG0= -0.001597 tlogG= -0.006881 logG= -0.008478 Density= 0.040843 ETOT(band)= -0.042636 trlgG= -0.052787 logG= -0.008478 TDE= -0.056421 Density= 0.215672 ETOT(band)= -0.233636 trlgG= -0.294723 logG= -0.029287 TDE= -0.171443 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023501 logG= -0.028794 Density= 0.215210 ETOT(band)= -0.233100 trlgG= -0.292806 logG= -0.028794 TDE= -0.171034 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023812 logG= -0.029118 logGD-logG0= -0.005237 tlogG= -0.024012 logG= -0.029249 Density= 0.216333 ETOT(band)= -0.233127 trlgG= -0.294259 logG= -0.029249 TDE= -0.171461 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215325 ETOT(band)= -0.233537 trlgG= -0.294070 logG= -0.029118 TDE= -0.171291 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023970 logG= -0.029199 Density= 0.216367 ETOT(band)= -0.233024 trlgG= -0.294027 logG= -0.029199 TDE= -0.171435 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.024019 logG= -0.028834 Density= 0.321571 ETOT(band)= -0.350750 trlgG= -0.441174 logG= -0.028834 TDE= -0.171093 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023861 logG= -0.028978 Density= 0.215485 ETOT(band)= -0.233535 trlgG= -0.294170 logG= -0.028978 TDE= -0.170977 logGD-logG0= -0.005061 tlogG= -0.024171 logG= -0.029232 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.023775 logG= -0.029024 Density= 0.216259 ETOT(band)= -0.232824 trlgG= -0.293322 logG= -0.029024 TDE= -0.171294 Density= 0.214739 ETOT(band)= -0.233934 trlgG= -0.294418 logG= -0.029232 TDE= -0.171104 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.022457 logG= -0.027619 Density= 0.216358 ETOT(band)= -0.231070 trlgG= -0.288518 logG= -0.027619 TDE= -0.170437 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.024176 logG= -0.029263 Density= 0.322433 ETOT(band)= -0.350875 trlgG= -0.441854 logG= -0.029263 TDE= -0.171100 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010502 tlogG= -0.047812 logG= -0.058314 Density= 0.324321 ETOT(band)= -0.349594 trlgG= -0.440884 logG= -0.058314 TDE= -0.342762 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.024133 logG= -0.029499 logGD-logG0= -0.005413 tlogG= -0.023910 logG= -0.029323 logGD-logG0= -0.004643 tlogG= -0.023904 logG= -0.028547 Density= 0.213303 ETOT(band)= -0.233607 trlgG= -0.292376 logG= -0.028547 TDE= -0.170652 logGD-logG0= -0.005120 tlogG= -0.023970 logG= -0.029091 Density= 0.214344 ETOT(band)= -0.233856 trlgG= -0.293798 logG= -0.029091 TDE= -0.170930 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215633 ETOT(band)= -0.233538 trlgG= -0.294451 logG= -0.029323 TDE= -0.171298 logGD-logG0= -0.004954 tlogG= -0.023900 logG= -0.028854 Density= 0.213801 ETOT(band)= -0.233763 trlgG= -0.292883 logG= -0.028854 TDE= -0.170659 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023987 logG= -0.028603 Density= 0.212833 ETOT(band)= -0.234011 trlgG= -0.293365 logG= -0.028603 TDE= -0.170701 Density= 0.215704 ETOT(band)= -0.233792 trlgG= -0.295137 logG= -0.029499 TDE= -0.171474 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.022983 logG= -0.028209 Density= 0.216212 ETOT(band)= -0.231868 trlgG= -0.290500 logG= -0.028209 TDE= -0.170770 logGD-logG0= -0.010547 tlogG= -0.047262 logG= -0.057809 logGD-logG0= -0.004530 tlogG= -0.023599 logG= -0.028129 Density= 0.212650 ETOT(band)= -0.233730 trlgG= -0.292609 logG= -0.028129 TDE= -0.170562 Density= 0.324108 ETOT(band)= -0.349223 trlgG= -0.439534 logG= -0.057809 TDE= -0.342371 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023429 logG= -0.028684 Density= 0.216182 ETOT(band)= -0.232443 trlgG= -0.292114 logG= -0.028684 TDE= -0.171056 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010777 tlogG= -0.048071 logG= -0.058848 Density= 0.323229 ETOT(band)= -0.350650 trlgG= -0.442206 logG= -0.058848 TDE= -0.342750 logGD-logG0= -0.005461 tlogG= -0.023696 logG= -0.029157 Density= 0.215399 ETOT(band)= -0.233387 trlgG= -0.293751 logG= -0.029157 TDE= -0.171120 logGD-logG0= -0.009036 tlogG= -0.048123 logG= -0.057159 Density= 0.425587 ETOT(band)= -0.467819 trlgG= -0.586212 logG= -0.057159 TDE= -0.341515 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004727 tlogG= -0.023382 logG= -0.028109 logGD-logG0= -0.005290 tlogG= -0.024101 logG= -0.029391 Density= 0.321646 ETOT(band)= -0.349701 trlgG= -0.438598 logG= -0.028109 TDE= -0.170768 Density= 0.323046 ETOT(band)= -0.350855 trlgG= -0.442506 logG= -0.029391 TDE= -0.171287 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.023258 logG= -0.028083 logGD-logG0= -0.010260 tlogG= -0.045667 logG= -0.055927 Density= 0.324030 ETOT(band)= -0.347618 trlgG= -0.434832 logG= -0.055927 TDE= -0.341195 Density= 0.213518 ETOT(band)= -0.233363 trlgG= -0.292102 logG= -0.028083 TDE= -0.170611 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.023262 logG= -0.028334 Density= 0.321709 ETOT(band)= -0.350210 trlgG= -0.439448 logG= -0.028334 TDE= -0.170722 logGD-logG0= -0.004782 tlogG= -0.024020 logG= -0.028802 logGD-logG0= -0.005009 tlogG= -0.022921 logG= -0.027930 Density= 0.214805 ETOT(band)= -0.232165 trlgG= -0.289585 logG= -0.027930 TDE= -0.170301 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214128 ETOT(band)= -0.233843 trlgG= -0.294016 logG= -0.028802 TDE= -0.171097 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009769 tlogG= -0.046636 logG= -0.056405 Density= 0.322706 ETOT(band)= -0.348669 trlgG= -0.436254 logG= -0.056405 TDE= -0.341349 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010540 tlogG= -0.046445 logG= -0.056985 Density= 0.323978 ETOT(band)= -0.348564 trlgG= -0.437448 logG= -0.056985 TDE= -0.341816 logGD-logG0= -0.005209 tlogG= -0.023213 logG= -0.028421 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021321 logG= -0.026274 Density= 0.214871 ETOT(band)= -0.232722 trlgG= -0.291112 logG= -0.028421 TDE= -0.170484 Density= 0.162634 ETOT(band)= -0.172830 trlgG= -0.215860 logG= -0.026274 TDE= -0.169755 logGD-logG0= -0.005474 tlogG= -0.023374 logG= -0.028848 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005398 tlogG= -0.023969 logG= -0.029367 Density= 0.323639 ETOT(band)= -0.350329 trlgG= -0.441959 logG= -0.029367 TDE= -0.171346 Density= 0.215104 ETOT(band)= -0.233125 trlgG= -0.292608 logG= -0.028848 TDE= -0.170827 logGD-logG0= -0.004695 tlogG= -0.023384 logG= -0.028080 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214194 ETOT(band)= -0.233130 trlgG= -0.292224 logG= -0.028080 TDE= -0.170776 logGD-logG0= -0.009726 tlogG= -0.047866 logG= -0.057591 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001217 tlogG= -0.005312 logG= -0.006529 Density= 0.081550 ETOT(band)= -0.085611 trlgG= -0.106187 logG= -0.006529 TDE= -0.042430 Density= 0.428054 ETOT(band)= -0.467669 trlgG= -0.587616 logG= -0.057591 TDE= -0.341999 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009679 tlogG= -0.047802 logG= -0.057481 Density= 0.427207 ETOT(band)= -0.467420 trlgG= -0.585591 logG= -0.057481 TDE= -0.341231 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009724 tlogG= -0.047684 logG= -0.057408 Density= 0.426707 ETOT(band)= -0.467863 trlgG= -0.586730 logG= -0.057408 TDE= -0.341528 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010017 tlogG= -0.046430 logG= -0.056446 Density= 0.429543 ETOT(band)= -0.465089 trlgG= -0.581312 logG= -0.056446 TDE= -0.341068 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010229 tlogG= -0.048176 logG= -0.058405 Density= 0.429300 ETOT(band)= -0.467799 trlgG= -0.588395 logG= -0.058405 TDE= -0.342048 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047986 logG= -0.058382 Density= 0.429204 ETOT(band)= -0.467759 trlgG= -0.588032 logG= -0.058382 TDE= -0.341881 logGD-logG0= -0.001587 tlogG= -0.007592 logG= -0.009180 Density= 0.071502 ETOT(band)= -0.077268 trlgG= -0.096119 logG= -0.009180 TDE= -0.056693 logGD-logG0= -0.009589 tlogG= -0.046635 logG= -0.056224 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428122 ETOT(band)= -0.466364 trlgG= -0.584223 logG= -0.056224 TDE= -0.341371 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010361 tlogG= -0.048252 logG= -0.058613 logGD-logG0= -0.010737 tlogG= -0.047764 logG= -0.058502 Density= 0.430732 ETOT(band)= -0.467075 trlgG= -0.588132 logG= -0.058502 TDE= -0.342396 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430025 ETOT(band)= -0.467812 trlgG= -0.589160 logG= -0.058613 TDE= -0.342252 logGD-logG0= -0.010570 tlogG= -0.048103 logG= -0.058673 Density= 0.430131 ETOT(band)= -0.467644 trlgG= -0.588834 logG= -0.058673 TDE= -0.342378 logGD-logG0= -0.010335 tlogG= -0.047699 logG= -0.058034 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428305 ETOT(band)= -0.467657 trlgG= -0.586949 logG= -0.058034 TDE= -0.341640 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.047883 logG= -0.057784 Density= 0.429138 ETOT(band)= -0.467459 trlgG= -0.587607 logG= -0.057784 TDE= -0.341990 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010852 tlogG= -0.047716 logG= -0.058569 Density= 0.431069 ETOT(band)= -0.467024 trlgG= -0.588497 logG= -0.058569 TDE= -0.342504 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009530 tlogG= -0.046742 logG= -0.056272 Density= 0.427926 ETOT(band)= -0.465637 trlgG= -0.581613 logG= -0.056272 TDE= -0.340952 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001708 tlogG= -0.007123 logG= -0.008831 Density= 0.072226 ETOT(band)= -0.076409 trlgG= -0.094817 logG= -0.008831 TDE= -0.056581 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010777 tlogG= -0.048041 logG= -0.058818 Density= 0.431305 ETOT(band)= -0.467309 trlgG= -0.589491 logG= -0.058818 TDE= -0.342768 logGD-logG0= -0.010081 tlogG= -0.047587 logG= -0.057668 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428620 ETOT(band)= -0.467004 trlgG= -0.585997 logG= -0.057668 TDE= -0.341686 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023849 logG= -0.028726 Density= 0.213588 ETOT(band)= -0.233898 trlgG= -0.293619 logG= -0.028726 TDE= -0.170914 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010797 tlogG= -0.047303 logG= -0.058099 Density= 0.430468 ETOT(band)= -0.466648 trlgG= -0.586659 logG= -0.058099 TDE= -0.342013 logGD-logG0= -0.010056 tlogG= -0.044657 logG= -0.054713 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324275 ETOT(band)= -0.346349 trlgG= -0.431828 logG= -0.054713 TDE= -0.340520 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010399 tlogG= -0.046963 logG= -0.057361 Density= 0.429880 ETOT(band)= -0.466012 trlgG= -0.584001 logG= -0.057361 TDE= -0.341350 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.022343 logG= -0.027224 Density= 0.322876 ETOT(band)= -0.347637 trlgG= -0.433865 logG= -0.027224 TDE= -0.170118 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010323 tlogG= -0.047602 logG= -0.057925 Density= 0.430004 ETOT(band)= -0.466661 trlgG= -0.585930 logG= -0.057925 TDE= -0.341793 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005473 logG= -0.006709 Density= 0.081196 ETOT(band)= -0.086274 trlgG= -0.107340 logG= -0.006709 TDE= -0.042541 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004993 tlogG= -0.022307 logG= -0.027300 Density= 0.214277 ETOT(band)= -0.232198 trlgG= -0.289331 logG= -0.027300 TDE= -0.170035 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004340 tlogG= -0.024143 logG= -0.028483 Density= 0.212205 ETOT(band)= -0.234105 trlgG= -0.293552 logG= -0.028483 TDE= -0.170844 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004841 tlogG= -0.022342 logG= -0.027183 Density= 0.215034 ETOT(band)= -0.231720 trlgG= -0.288988 logG= -0.027183 TDE= -0.170123 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005036 tlogG= -0.021370 logG= -0.026406 Density= 0.217004 ETOT(band)= -0.228971 trlgG= -0.284211 logG= -0.026406 TDE= -0.169768 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004962 tlogG= -0.022487 logG= -0.027448 Density= 0.215031 ETOT(band)= -0.231431 trlgG= -0.287944 logG= -0.027448 TDE= -0.170049 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.021898 logG= -0.027023 Density= 0.216614 ETOT(band)= -0.230074 trlgG= -0.286408 logG= -0.027023 TDE= -0.170098 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009907 tlogG= -0.044656 logG= -0.054563 Density= 0.431603 ETOT(band)= -0.461637 trlgG= -0.574558 logG= -0.054563 TDE= -0.340154 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021225 logG= -0.026220 Density= 0.216338 ETOT(band)= -0.229823 trlgG= -0.285458 logG= -0.026220 TDE= -0.169674 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.497502912573 eV TrLogG= -407.123147745998 eV Ratio to renormalize= 1.000031528621 rho-rho_expected=-0.000693607803 nargs= 1 argi=dmft2.def 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964377187505883 0.939841654022719 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001502 tlogG= -0.007815 logG= -0.009317 Density= 0.035497 ETOT(band)= -0.038880 trlgG= -0.048583 logG= -0.009317 TDE= -0.056832 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.008048 logG= -0.009468 Density= 0.035319 ETOT(band)= -0.039029 trlgG= -0.048945 logG= -0.009468 TDE= -0.056955 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004366 tlogG= -0.024062 logG= -0.028429 Density= 0.106133 ETOT(band)= -0.117026 trlgG= -0.146712 logG= -0.028429 TDE= -0.170804 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002357 tlogG= -0.011455 logG= -0.013812 Density= 0.053738 ETOT(band)= -0.058010 trlgG= -0.072471 logG= -0.013812 TDE= -0.085251 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023218 logG= -0.027887 Density= 0.106747 ETOT(band)= -0.116491 trlgG= -0.145399 logG= -0.027887 TDE= -0.170336 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004780 tlogG= -0.023514 logG= -0.028294 Density= 0.106782 ETOT(band)= -0.116683 trlgG= -0.145886 logG= -0.028294 TDE= -0.170434 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002349 tlogG= -0.011890 logG= -0.014239 Density= 0.053563 ETOT(band)= -0.058339 trlgG= -0.073233 logG= -0.014239 TDE= -0.085499 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.024059 logG= -0.028648 Density= 0.106400 ETOT(band)= -0.117019 trlgG= -0.146727 logG= -0.028648 TDE= -0.170731 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.010436 logG= -0.012864 Density= 0.054372 ETOT(band)= -0.057020 trlgG= -0.070676 logG= -0.012864 TDE= -0.084718 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005081 tlogG= -0.022750 logG= -0.027831 Density= 0.108239 ETOT(band)= -0.115763 trlgG= -0.144950 logG= -0.027831 TDE= -0.170681 logGD-logG0= -0.005158 tlogG= -0.022892 logG= -0.028050 Density= 0.107615 ETOT(band)= -0.116179 trlgG= -0.145280 logG= -0.028050 TDE= -0.170483 logGD-logG0= -0.004757 tlogG= -0.023699 logG= -0.028455 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106981 ETOT(band)= -0.116715 trlgG= -0.146420 logG= -0.028455 TDE= -0.170904 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023214 logG= -0.028562 Density= 0.107679 ETOT(band)= -0.116428 trlgG= -0.146090 logG= -0.028562 TDE= -0.170813 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005851 logG= -0.001051 TDE= -0.007047 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002627 tlogG= -0.012039 logG= -0.014666 Density= 0.053761 ETOT(band)= -0.058474 trlgG= -0.073653 logG= -0.014666 TDE= -0.085590 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.021583 logG= -0.026536 Density= 0.108504 ETOT(band)= -0.114771 trlgG= -0.142783 logG= -0.026536 TDE= -0.169941 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002489 tlogG= -0.010849 logG= -0.013337 Density= 0.054061 ETOT(band)= -0.057534 trlgG= -0.071517 logG= -0.013337 TDE= -0.084932 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002444 tlogG= -0.012088 logG= -0.014533 Density= 0.053585 ETOT(band)= -0.058483 trlgG= -0.073595 logG= -0.014533 TDE= -0.085579 logGD-logG0= -0.002586 tlogG= -0.011990 logG= -0.014576 logGD-logG0= -0.005198 tlogG= -0.023444 logG= -0.028642 Density= 0.054131 ETOT(band)= -0.058242 trlgG= -0.073522 logG= -0.014576 TDE= -0.085733 Density= 0.108121 ETOT(band)= -0.116269 trlgG= -0.146233 logG= -0.028642 TDE= -0.171095 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.021833 logG= -0.026952 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107789 ETOT(band)= -0.115418 trlgG= -0.143514 logG= -0.026952 TDE= -0.169901 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002655 tlogG= -0.011993 logG= -0.014648 Density= 0.053978 ETOT(band)= -0.058361 trlgG= -0.073640 logG= -0.014648 TDE= -0.085703 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005191 tlogG= -0.023963 logG= -0.029154 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004393 tlogG= -0.023986 logG= -0.028379 Density= 0.108216 ETOT(band)= -0.116507 trlgG= -0.147048 logG= -0.029154 TDE= -0.171445 logGD-logG0= -0.005154 tlogG= -0.022998 logG= -0.028152 Density= 0.106185 ETOT(band)= -0.116983 trlgG= -0.146600 logG= -0.028379 TDE= -0.170766 logGD-logG0= -0.005326 tlogG= -0.024087 logG= -0.029413 Density= 0.107637 ETOT(band)= -0.116951 trlgG= -0.147452 logG= -0.029413 TDE= -0.171303 logGD-logG0= -0.005204 tlogG= -0.023777 logG= -0.028980 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108127 ETOT(band)= -0.115998 trlgG= -0.145459 logG= -0.028152 TDE= -0.170813 Density= 0.108166 ETOT(band)= -0.116432 trlgG= -0.146769 logG= -0.028980 TDE= -0.171315 logGD-logG0= -0.005003 tlogG= -0.022187 logG= -0.027190 Density= 0.108350 ETOT(band)= -0.115321 trlgG= -0.143908 logG= -0.027190 TDE= -0.170335 logGD-logG0= -0.005085 tlogG= -0.022474 logG= -0.027559 Density= 0.108196 ETOT(band)= -0.115625 trlgG= -0.144513 logG= -0.027559 TDE= -0.170495 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.024107 logG= -0.029148 logGD-logG0= -0.004878 tlogG= -0.023702 logG= -0.028581 Density= 0.107378 ETOT(band)= -0.116602 trlgG= -0.146336 logG= -0.028581 TDE= -0.170891 Density= 0.107377 ETOT(band)= -0.116913 trlgG= -0.147077 logG= -0.029148 TDE= -0.171065 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.022865 logG= -0.027777 Density= 0.107746 ETOT(band)= -0.115975 trlgG= -0.144871 logG= -0.027777 TDE= -0.170412 logGD-logG0= -0.005148 tlogG= -0.023230 logG= -0.028378 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108184 ETOT(band)= -0.116093 trlgG= -0.145815 logG= -0.028378 TDE= -0.170972 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023698 logG= -0.029032 logGD-logG0= -0.005374 tlogG= -0.024143 logG= -0.029518 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023884 logG= -0.029063 logGD-logG0= -0.005342 tlogG= -0.024098 logG= -0.029439 Density= 0.107879 ETOT(band)= -0.116862 trlgG= -0.147519 logG= -0.029439 TDE= -0.171464 Density= 0.107803 ETOT(band)= -0.116949 trlgG= -0.147643 logG= -0.029518 TDE= -0.171472 logGD-logG0= -0.005041 tlogG= -0.023660 logG= -0.028701 Density= 0.106983 ETOT(band)= -0.116805 trlgG= -0.146226 logG= -0.028701 TDE= -0.170465 Density= 0.108237 ETOT(band)= -0.116443 trlgG= -0.146900 logG= -0.029063 TDE= -0.171398 logGD-logG0= -0.005180 tlogG= -0.023619 logG= -0.028799 Density= 0.108192 ETOT(band)= -0.116317 trlgG= -0.146479 logG= -0.028799 TDE= -0.171219 Density= 0.107232 ETOT(band)= -0.116880 trlgG= -0.146779 logG= -0.029032 TDE= -0.170811 logGD-logG0= -0.005358 tlogG= -0.023919 logG= -0.029277 Density= 0.107745 ETOT(band)= -0.116819 trlgG= -0.147239 logG= -0.029277 TDE= -0.171279 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023981 logG= -0.029259 Density= 0.107441 ETOT(band)= -0.116935 trlgG= -0.147177 logG= -0.029259 TDE= -0.171085 logGD-logG0= -0.005061 tlogG= -0.022424 logG= -0.027484 Density= 0.107635 ETOT(band)= -0.115845 trlgG= -0.144385 logG= -0.027484 TDE= -0.170164 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023683 logG= -0.028407 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106608 ETOT(band)= -0.116827 trlgG= -0.146310 logG= -0.028407 TDE= -0.170658 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023002 logG= -0.027759 logGD-logG0= -0.004929 tlogG= -0.024081 logG= -0.029010 Density= 0.106882 ETOT(band)= -0.116361 trlgG= -0.145137 logG= -0.027759 TDE= -0.170269 logGD-logG0= -0.004945 tlogG= -0.023910 logG= -0.028855 Density= 0.106763 ETOT(band)= -0.116985 trlgG= -0.146839 logG= -0.028855 TDE= -0.170815 Density= 0.107059 ETOT(band)= -0.116970 trlgG= -0.147098 logG= -0.029010 TDE= -0.171065 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.022865 logG= -0.027655 Density= 0.107301 ETOT(band)= -0.116114 trlgG= -0.144991 logG= -0.027655 TDE= -0.170434 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023882 logG= -0.029209 Density= 0.107907 ETOT(band)= -0.116690 trlgG= -0.147136 logG= -0.029209 TDE= -0.171325 logGD-logG0= -0.009880 tlogG= -0.048269 logG= -0.058150 Density= 0.214403 ETOT(band)= -0.233902 trlgG= -0.294275 logG= -0.058150 TDE= -0.342222 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023592 logG= -0.028956 Density= 0.107794 ETOT(band)= -0.116592 trlgG= -0.146720 logG= -0.028956 TDE= -0.171106 logGD-logG0= -0.009570 tlogG= -0.045789 logG= -0.055359 logGD-logG0= -0.005317 tlogG= -0.024069 logG= -0.029386 Density= 0.215021 ETOT(band)= -0.232067 trlgG= -0.289890 logG= -0.055359 TDE= -0.340935 Density= 0.107937 ETOT(band)= -0.116796 trlgG= -0.147432 logG= -0.029386 TDE= -0.171459 logGD-logG0= -0.009848 tlogG= -0.045617 logG= -0.055465 Density= 0.214376 ETOT(band)= -0.232409 trlgG= -0.290059 logG= -0.055465 TDE= -0.340678 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009198 tlogG= -0.047658 logG= -0.056856 logGD-logG0= -0.009746 tlogG= -0.047184 logG= -0.056930 Density= 0.212950 ETOT(band)= -0.233774 trlgG= -0.292756 logG= -0.056856 TDE= -0.341279 Density= 0.213780 ETOT(band)= -0.233486 trlgG= -0.292690 logG= -0.056930 TDE= -0.341549 logGD-logG0= -0.009898 tlogG= -0.047188 logG= -0.057086 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213791 ETOT(band)= -0.233531 trlgG= -0.292483 logG= -0.057086 TDE= -0.341192 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010026 tlogG= -0.047925 logG= -0.057951 Density= 0.213977 ETOT(band)= -0.233935 trlgG= -0.293956 logG= -0.057951 TDE= -0.341892 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009623 tlogG= -0.047963 logG= -0.057586 Density= 0.213290 ETOT(band)= -0.233989 trlgG= -0.293398 logG= -0.057586 TDE= -0.341359 logGD-logG0= -0.010601 tlogG= -0.047776 logG= -0.058377 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214755 ETOT(band)= -0.233832 trlgG= -0.294104 logG= -0.058377 TDE= -0.341998 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010557 tlogG= -0.048111 logG= -0.058668 Density= 0.215064 ETOT(band)= -0.233889 trlgG= -0.294619 logG= -0.058668 TDE= -0.342375 logGD-logG0= -0.009520 tlogG= -0.047473 logG= -0.056993 Density= 0.214318 ETOT(band)= -0.233324 trlgG= -0.292828 logG= -0.056993 TDE= -0.341890 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001707 tlogG= -0.007309 logG= -0.009016 logGD-logG0= -0.010403 tlogG= -0.048011 logG= -0.058414 Density= 0.215067 ETOT(band)= -0.233744 trlgG= -0.294203 logG= -0.058414 TDE= -0.342214 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035845 ETOT(band)= -0.038536 trlgG= -0.047890 logG= -0.009016 TDE= -0.056612 logGD-logG0= -0.010260 tlogG= -0.047691 logG= -0.057951 logGD-logG0= -0.010636 tlogG= -0.048047 logG= -0.058683 Density= 0.215100 ETOT(band)= -0.233881 trlgG= -0.294646 logG= -0.058683 TDE= -0.342405 Density= 0.213958 ETOT(band)= -0.233922 trlgG= -0.293709 logG= -0.057951 TDE= -0.341635 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001641 tlogG= -0.006998 logG= -0.008639 Density= 0.036193 ETOT(band)= -0.038091 trlgG= -0.047235 logG= -0.008639 TDE= -0.056506 logGD-logG0= -0.010149 tlogG= -0.048057 logG= -0.058205 logGD-logG0= -0.010465 tlogG= -0.047816 logG= -0.058281 Density= 0.214655 ETOT(band)= -0.233824 trlgG= -0.293934 logG= -0.058281 TDE= -0.341875 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214532 ETOT(band)= -0.233851 trlgG= -0.294027 logG= -0.058205 TDE= -0.341983 logGD-logG0= -0.010484 tlogG= -0.047344 logG= -0.057829 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010705 tlogG= -0.047552 logG= -0.058257 Density= 0.215687 ETOT(band)= -0.233345 trlgG= -0.294002 logG= -0.058257 TDE= -0.342478 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.047964 logG= -0.058596 logGD-logG0= -0.009952 tlogG= -0.045680 logG= -0.055632 Density= 0.215151 ETOT(band)= -0.232145 trlgG= -0.289885 logG= -0.055632 TDE= -0.340720 Density= 0.214267 ETOT(band)= -0.233719 trlgG= -0.293187 logG= -0.057829 TDE= -0.341388 Density= 0.215879 ETOT(band)= -0.233463 trlgG= -0.294566 logG= -0.058596 TDE= -0.342798 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.047458 logG= -0.058114 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215457 ETOT(band)= -0.233382 trlgG= -0.293758 logG= -0.058114 TDE= -0.342263 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010748 tlogG= -0.048179 logG= -0.058927 Density= 0.215411 ETOT(band)= -0.233910 trlgG= -0.295086 logG= -0.058927 TDE= -0.342756 logGD-logG0= -0.010686 tlogG= -0.047912 logG= -0.058598 logGD-logG0= -0.010262 tlogG= -0.046446 logG= -0.056708 Density= 0.215752 ETOT(band)= -0.233534 trlgG= -0.294566 logG= -0.058598 TDE= -0.342733 Density= 0.215213 ETOT(band)= -0.232710 trlgG= -0.291514 logG= -0.056708 TDE= -0.341304 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009874 tlogG= -0.047252 logG= -0.057126 Density= 0.214482 ETOT(band)= -0.233288 trlgG= -0.292605 logG= -0.057126 TDE= -0.341615 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.046916 logG= -0.057615 Density= 0.215421 ETOT(band)= -0.233104 trlgG= -0.292958 logG= -0.057615 TDE= -0.341945 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010174 tlogG= -0.047185 logG= -0.057359 Density= 0.215147 ETOT(band)= -0.233111 trlgG= -0.292528 logG= -0.057359 TDE= -0.341635 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021893 logG= -0.026931 Density= 0.108316 ETOT(band)= -0.115136 trlgG= -0.143460 logG= -0.026931 TDE= -0.170129 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004873 tlogG= -0.021009 logG= -0.025881 Density= 0.108698 ETOT(band)= -0.114186 trlgG= -0.141630 logG= -0.025881 TDE= -0.169538 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.021710 logG= -0.026770 Density= 0.107930 ETOT(band)= -0.115227 trlgG= -0.143206 logG= -0.026770 TDE= -0.169845 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010115 tlogG= -0.043421 logG= -0.053537 Density= 0.216269 ETOT(band)= -0.230249 trlgG= -0.286394 logG= -0.053537 TDE= -0.339878 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001447 tlogG= -0.007969 logG= -0.009416 Density= 0.070877 ETOT(band)= -0.077861 trlgG= -0.097408 logG= -0.009416 TDE= -0.056917 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004340 tlogG= -0.024142 logG= -0.028482 Density= 0.212205 ETOT(band)= -0.234102 trlgG= -0.293548 logG= -0.028482 TDE= -0.170842 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004474 tlogG= -0.023751 logG= -0.028226 Density= 0.213113 ETOT(band)= -0.233325 trlgG= -0.291635 logG= -0.028226 TDE= -0.170645 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005624 logG= -0.006872 Density= 0.080836 ETOT(band)= -0.086882 trlgG= -0.108571 logG= -0.006872 TDE= -0.042638 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005752 logG= -0.007021 Density= 0.080635 ETOT(band)= -0.087309 trlgG= -0.109571 logG= -0.007021 TDE= -0.042714 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005176 logG= -0.006375 Density= 0.062543 ETOT(band)= -0.067474 trlgG= -0.084176 logG= -0.006375 TDE= -0.042328 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001217 tlogG= -0.005312 logG= -0.006529 Density= 0.081549 ETOT(band)= -0.085610 trlgG= -0.106185 logG= -0.006529 TDE= -0.042429 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004643 tlogG= -0.023904 logG= -0.028546 Density= 0.213302 ETOT(band)= -0.233605 trlgG= -0.292372 logG= -0.028546 TDE= -0.170651 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023986 logG= -0.028603 Density= 0.212833 ETOT(band)= -0.234008 trlgG= -0.293360 logG= -0.028603 TDE= -0.170699 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.022983 logG= -0.028208 Density= 0.216211 ETOT(band)= -0.231865 trlgG= -0.290496 logG= -0.028208 TDE= -0.170768 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023384 logG= -0.028079 Density= 0.214193 ETOT(band)= -0.233127 trlgG= -0.292219 logG= -0.028079 TDE= -0.170774 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023212 logG= -0.028421 Density= 0.214871 ETOT(band)= -0.232719 trlgG= -0.291107 logG= -0.028421 TDE= -0.170482 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.022486 logG= -0.027448 Density= 0.215030 ETOT(band)= -0.231428 trlgG= -0.287940 logG= -0.027448 TDE= -0.170047 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005474 tlogG= -0.023373 logG= -0.028847 Density= 0.215103 ETOT(band)= -0.233122 trlgG= -0.292603 logG= -0.028847 TDE= -0.170825 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.021897 logG= -0.027022 Density= 0.216614 ETOT(band)= -0.230071 trlgG= -0.286404 logG= -0.027022 TDE= -0.170097 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001290 tlogG= -0.005942 logG= -0.007232 Density= 0.080827 ETOT(band)= -0.087563 trlgG= -0.110323 logG= -0.007232 TDE= -0.042833 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005473 logG= -0.006709 Density= 0.081196 ETOT(band)= -0.086273 trlgG= -0.107339 logG= -0.006709 TDE= -0.042540 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004530 tlogG= -0.023598 logG= -0.028129 Density= 0.212649 ETOT(band)= -0.233727 trlgG= -0.292605 logG= -0.028129 TDE= -0.170560 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001598 tlogG= -0.006881 logG= -0.008478 Density= 0.040843 ETOT(band)= -0.042636 trlgG= -0.052787 logG= -0.008478 TDE= -0.056421 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001288 tlogG= -0.005987 logG= -0.007275 Density= 0.081053 ETOT(band)= -0.087469 trlgG= -0.110380 logG= -0.007275 TDE= -0.042863 logGD-logG0= -0.005273 tlogG= -0.024013 logG= -0.029286 Density= 0.215671 ETOT(band)= -0.233633 trlgG= -0.294718 logG= -0.029286 TDE= -0.171441 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022920 logG= -0.027929 Density= 0.214804 ETOT(band)= -0.232162 trlgG= -0.289581 logG= -0.027929 TDE= -0.170299 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.007592 logG= -0.009179 Density= 0.071502 ETOT(band)= -0.077267 trlgG= -0.096118 logG= -0.009179 TDE= -0.056693 logGD-logG0= -0.001285 tlogG= -0.005859 logG= -0.007144 Density= 0.080646 ETOT(band)= -0.087525 trlgG= -0.110126 logG= -0.007144 TDE= -0.042779 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023811 logG= -0.029117 Density= 0.215325 ETOT(band)= -0.233534 trlgG= -0.294066 logG= -0.029117 TDE= -0.171289 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023501 logG= -0.028794 Density= 0.215209 ETOT(band)= -0.233097 trlgG= -0.292801 logG= -0.028794 TDE= -0.171032 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024011 logG= -0.029248 Density= 0.216332 ETOT(band)= -0.233124 trlgG= -0.294254 logG= -0.029248 TDE= -0.171459 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.024019 logG= -0.028834 Density= 0.321570 ETOT(band)= -0.350745 trlgG= -0.441168 logG= -0.028834 TDE= -0.171091 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023861 logG= -0.028978 Density= 0.215484 ETOT(band)= -0.233532 trlgG= -0.294166 logG= -0.028978 TDE= -0.170975 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.024132 logG= -0.029498 Density= 0.215703 ETOT(band)= -0.233789 trlgG= -0.295132 logG= -0.029498 TDE= -0.171472 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.024176 logG= -0.029262 Density= 0.322432 ETOT(band)= -0.350871 trlgG= -0.441848 logG= -0.029262 TDE= -0.171098 logGD-logG0= -0.005162 tlogG= -0.022456 logG= -0.027618 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216358 ETOT(band)= -0.231068 trlgG= -0.288514 logG= -0.027618 TDE= -0.170435 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.023969 logG= -0.029090 logGD-logG0= -0.005255 tlogG= -0.023428 logG= -0.028683 Density= 0.216181 ETOT(band)= -0.232440 trlgG= -0.292110 logG= -0.028683 TDE= -0.171054 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214343 ETOT(band)= -0.233853 trlgG= -0.293793 logG= -0.029090 TDE= -0.170928 logGD-logG0= -0.005230 tlogG= -0.023969 logG= -0.029199 Density= 0.216366 ETOT(band)= -0.233021 trlgG= -0.294023 logG= -0.029199 TDE= -0.171433 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010547 tlogG= -0.047261 logG= -0.057808 Density= 0.324107 ETOT(band)= -0.349219 trlgG= -0.439528 logG= -0.057808 TDE= -0.342368 logGD-logG0= -0.005061 tlogG= -0.024170 logG= -0.029231 logGD-logG0= -0.010503 tlogG= -0.047811 logG= -0.058313 logGD-logG0= -0.005249 tlogG= -0.023774 logG= -0.029024 Density= 0.216258 ETOT(band)= -0.232821 trlgG= -0.293318 logG= -0.029024 TDE= -0.171292 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023899 logG= -0.028854 Density= 0.213800 ETOT(band)= -0.233760 trlgG= -0.292878 logG= -0.028854 TDE= -0.170657 Density= 0.324320 ETOT(band)= -0.349589 trlgG= -0.440878 logG= -0.058313 TDE= -0.342759 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214739 ETOT(band)= -0.233931 trlgG= -0.294414 logG= -0.029231 TDE= -0.171102 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.023261 logG= -0.028333 Density= 0.321708 ETOT(band)= -0.350206 trlgG= -0.439442 logG= -0.028333 TDE= -0.170720 logGD-logG0= -0.010778 tlogG= -0.048069 logG= -0.058847 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323228 ETOT(band)= -0.350646 trlgG= -0.442200 logG= -0.058847 TDE= -0.342746 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010261 tlogG= -0.045665 logG= -0.055926 logGD-logG0= -0.004783 tlogG= -0.024019 logG= -0.028801 Density= 0.214127 ETOT(band)= -0.233840 trlgG= -0.294012 logG= -0.028801 TDE= -0.171095 Density= 0.324029 ETOT(band)= -0.347614 trlgG= -0.434825 logG= -0.055926 TDE= -0.341191 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.023257 logG= -0.028083 Density= 0.213518 ETOT(band)= -0.233360 trlgG= -0.292097 logG= -0.028083 TDE= -0.170610 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024100 logG= -0.029390 Density= 0.323044 ETOT(band)= -0.350851 trlgG= -0.442499 logG= -0.029390 TDE= -0.171285 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010541 tlogG= -0.046443 logG= -0.056984 Density= 0.323977 ETOT(band)= -0.348559 trlgG= -0.437442 logG= -0.056984 TDE= -0.341812 logGD-logG0= -0.004727 tlogG= -0.023381 logG= -0.028108 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023848 logG= -0.028725 Density= 0.213587 ETOT(band)= -0.233895 trlgG= -0.293615 logG= -0.028725 TDE= -0.170913 Density= 0.321645 ETOT(band)= -0.349697 trlgG= -0.438592 logG= -0.028108 TDE= -0.170767 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005414 tlogG= -0.023909 logG= -0.029322 Density= 0.215632 ETOT(band)= -0.233535 trlgG= -0.294447 logG= -0.029322 TDE= -0.171296 logGD-logG0= -0.009769 tlogG= -0.046634 logG= -0.056403 Density= 0.322705 ETOT(band)= -0.348665 trlgG= -0.436248 logG= -0.056403 TDE= -0.341345 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001709 tlogG= -0.007123 logG= -0.008831 Density= 0.072226 ETOT(band)= -0.076408 trlgG= -0.094815 logG= -0.008831 TDE= -0.056580 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005399 tlogG= -0.023968 logG= -0.029366 Density= 0.323638 ETOT(band)= -0.350325 trlgG= -0.441953 logG= -0.029366 TDE= -0.171344 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005461 tlogG= -0.023695 logG= -0.029156 logGD-logG0= -0.004993 tlogG= -0.022306 logG= -0.027299 Density= 0.214276 ETOT(band)= -0.232196 trlgG= -0.289326 logG= -0.027299 TDE= -0.170034 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215398 ETOT(band)= -0.233384 trlgG= -0.293746 logG= -0.029156 TDE= -0.171118 logGD-logG0= -0.009530 tlogG= -0.046740 logG= -0.056271 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427925 ETOT(band)= -0.465632 trlgG= -0.581604 logG= -0.056271 TDE= -0.340949 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009726 tlogG= -0.047864 logG= -0.057590 logGD-logG0= -0.009036 tlogG= -0.048121 logG= -0.057158 Density= 0.425586 ETOT(band)= -0.467814 trlgG= -0.586203 logG= -0.057158 TDE= -0.341512 logGD-logG0= -0.010229 tlogG= -0.048175 logG= -0.058404 Density= 0.428052 ETOT(band)= -0.467663 trlgG= -0.587607 logG= -0.057590 TDE= -0.341996 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429298 ETOT(band)= -0.467793 trlgG= -0.588386 logG= -0.058404 TDE= -0.342045 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.047697 logG= -0.058032 logGD-logG0= -0.009590 tlogG= -0.046634 logG= -0.056223 Density= 0.428120 ETOT(band)= -0.466358 trlgG= -0.584214 logG= -0.056223 TDE= -0.341367 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428303 ETOT(band)= -0.467651 trlgG= -0.586940 logG= -0.058032 TDE= -0.341637 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010361 tlogG= -0.048251 logG= -0.058612 Density= 0.430024 ETOT(band)= -0.467807 trlgG= -0.589151 logG= -0.058612 TDE= -0.342249 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010738 tlogG= -0.047763 logG= -0.058500 Density= 0.430731 ETOT(band)= -0.467070 trlgG= -0.588123 logG= -0.058500 TDE= -0.342393 logGD-logG0= -0.010397 tlogG= -0.047984 logG= -0.058381 logGD-logG0= -0.010853 tlogG= -0.047714 logG= -0.058567 logGD-logG0= -0.010570 tlogG= -0.048102 logG= -0.058672 Density= 0.430129 ETOT(band)= -0.467638 trlgG= -0.588825 logG= -0.058672 TDE= -0.342375 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431067 ETOT(band)= -0.467018 trlgG= -0.588488 logG= -0.058567 TDE= -0.342500 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021320 logG= -0.026274 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429203 ETOT(band)= -0.467753 trlgG= -0.588023 logG= -0.058381 TDE= -0.341877 Density= 0.162634 ETOT(band)= -0.172828 trlgG= -0.215857 logG= -0.026274 TDE= -0.169753 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009679 tlogG= -0.047801 logG= -0.057480 Density= 0.427206 ETOT(band)= -0.467414 trlgG= -0.585582 logG= -0.057480 TDE= -0.341228 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009724 tlogG= -0.047683 logG= -0.057407 Density= 0.426706 ETOT(band)= -0.467857 trlgG= -0.586721 logG= -0.057407 TDE= -0.341525 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.047881 logG= -0.057782 Density= 0.429136 ETOT(band)= -0.467454 trlgG= -0.587599 logG= -0.057782 TDE= -0.341986 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010017 tlogG= -0.046428 logG= -0.056445 Density= 0.429542 ETOT(band)= -0.465084 trlgG= -0.581304 logG= -0.056445 TDE= -0.341065 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010778 tlogG= -0.048039 logG= -0.058817 logGD-logG0= -0.010081 tlogG= -0.047585 logG= -0.057667 Density= 0.431303 ETOT(band)= -0.467303 trlgG= -0.589482 logG= -0.058817 TDE= -0.342765 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428619 ETOT(band)= -0.466998 trlgG= -0.585989 logG= -0.057667 TDE= -0.341683 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.022342 logG= -0.027223 Density= 0.322875 ETOT(band)= -0.347633 trlgG= -0.433858 logG= -0.027223 TDE= -0.170116 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010399 tlogG= -0.046961 logG= -0.057360 Density= 0.429879 ETOT(band)= -0.466006 trlgG= -0.583992 logG= -0.057360 TDE= -0.341346 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010797 tlogG= -0.047301 logG= -0.058098 Density= 0.430467 ETOT(band)= -0.466642 trlgG= -0.586651 logG= -0.058098 TDE= -0.342010 logGD-logG0= -0.010324 tlogG= -0.047600 logG= -0.057924 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430002 ETOT(band)= -0.466656 trlgG= -0.585921 logG= -0.057924 TDE= -0.341790 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.021369 logG= -0.026405 Density= 0.217003 ETOT(band)= -0.228968 trlgG= -0.284207 logG= -0.026405 TDE= -0.169766 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010056 tlogG= -0.044655 logG= -0.054711 Density= 0.324273 ETOT(band)= -0.346345 trlgG= -0.431821 logG= -0.054711 TDE= -0.340517 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.021224 logG= -0.026220 Density= 0.216337 ETOT(band)= -0.229820 trlgG= -0.285454 logG= -0.026220 TDE= -0.169673 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004841 tlogG= -0.022341 logG= -0.027182 Density= 0.215034 ETOT(band)= -0.231718 trlgG= -0.288983 logG= -0.027182 TDE= -0.170121 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009907 tlogG= -0.044654 logG= -0.054562 Density= 0.431602 ETOT(band)= -0.461632 trlgG= -0.574549 logG= -0.054562 TDE= -0.340151 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.493585893274 eV TrLogG= -407.116564047036 eV Ratio to renormalize= 1.000034935672 rho-rho_expected=-0.000768557923 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 78) Finished k-point number 158 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964396418580093 0.939873508041880 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002349 tlogG= -0.011892 logG= -0.014241 Density= 0.053564 ETOT(band)= -0.058343 trlgG= -0.073239 logG= -0.014241 TDE= -0.085504 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022192 logG= -0.027193 Density= 0.108352 ETOT(band)= -0.115328 trlgG= -0.143920 logG= -0.027193 TDE= -0.170345 logGD-logG0= -0.004589 tlogG= -0.024063 logG= -0.028651 Density= 0.106402 ETOT(band)= -0.117027 trlgG= -0.146739 logG= -0.028651 TDE= -0.170740 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023702 logG= -0.029036 Density= 0.107234 ETOT(band)= -0.116888 trlgG= -0.146791 logG= -0.029036 TDE= -0.170820 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023235 logG= -0.028382 Density= 0.108186 ETOT(band)= -0.116100 trlgG= -0.145827 logG= -0.028382 TDE= -0.170981 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022896 logG= -0.028053 Density= 0.107617 ETOT(band)= -0.116186 trlgG= -0.145292 logG= -0.028053 TDE= -0.170493 logGD-logG0= -0.004724 tlogG= -0.023687 logG= -0.028411 Density= 0.106610 ETOT(band)= -0.116835 trlgG= -0.146322 logG= -0.028411 TDE= -0.170667 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.023914 logG= -0.028859 Density= 0.106765 ETOT(band)= -0.116992 trlgG= -0.146851 logG= -0.028859 TDE= -0.170825 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001051 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005851 logG= -0.001051 TDE= -0.007048 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.012090 logG= -0.014534 Density= 0.053586 ETOT(band)= -0.058487 trlgG= -0.073601 logG= -0.014534 TDE= -0.085584 logGD-logG0= -0.002626 tlogG= -0.012041 logG= -0.014668 Density= 0.053762 ETOT(band)= -0.058478 trlgG= -0.073659 logG= -0.014668 TDE= -0.085595 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001502 tlogG= -0.007816 logG= -0.009318 Density= 0.035497 ETOT(band)= -0.038883 trlgG= -0.048587 logG= -0.009318 TDE= -0.056835 logGD-logG0= -0.002357 tlogG= -0.011457 logG= -0.013814 logGD-logG0= -0.001420 tlogG= -0.008049 logG= -0.009469 Density= 0.035320 ETOT(band)= -0.039032 trlgG= -0.048949 logG= -0.009469 TDE= -0.056958 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053739 ETOT(band)= -0.058014 trlgG= -0.072477 logG= -0.013814 TDE= -0.085255 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004366 tlogG= -0.024066 logG= -0.028433 Density= 0.106135 ETOT(band)= -0.117034 trlgG= -0.146724 logG= -0.028433 TDE= -0.170813 logGD-logG0= -0.004393 tlogG= -0.023989 logG= -0.028383 Density= 0.106186 ETOT(band)= -0.116991 trlgG= -0.146612 logG= -0.028383 TDE= -0.170775 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023449 logG= -0.028645 Density= 0.108123 ETOT(band)= -0.116277 trlgG= -0.146245 logG= -0.028645 TDE= -0.171104 logGD-logG0= -0.004670 tlogG= -0.023221 logG= -0.027891 Density= 0.106749 ETOT(band)= -0.116499 trlgG= -0.145411 logG= -0.027891 TDE= -0.170345 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002585 tlogG= -0.011993 logG= -0.014578 logGD-logG0= -0.005153 tlogG= -0.023002 logG= -0.028156 Density= 0.054132 ETOT(band)= -0.058246 trlgG= -0.073528 logG= -0.014578 TDE= -0.085738 Density= 0.108129 ETOT(band)= -0.116006 trlgG= -0.145471 logG= -0.028156 TDE= -0.170823 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.022428 logG= -0.027488 Density= 0.107637 ETOT(band)= -0.115852 trlgG= -0.144397 logG= -0.027488 TDE= -0.170173 logGD-logG0= -0.005326 tlogG= -0.024091 logG= -0.029417 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107639 ETOT(band)= -0.116959 trlgG= -0.147465 logG= -0.029417 TDE= -0.171313 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023782 logG= -0.028984 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108169 ETOT(band)= -0.116439 trlgG= -0.146781 logG= -0.028984 TDE= -0.171325 logGD-logG0= -0.005358 tlogG= -0.023923 logG= -0.029281 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107747 ETOT(band)= -0.116827 trlgG= -0.147251 logG= -0.029281 TDE= -0.171289 logGD-logG0= -0.004780 tlogG= -0.023518 logG= -0.028297 Density= 0.106784 ETOT(band)= -0.116691 trlgG= -0.145898 logG= -0.028297 TDE= -0.170443 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.022478 logG= -0.027563 logGD-logG0= -0.005190 tlogG= -0.023968 logG= -0.029158 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023006 logG= -0.027763 Density= 0.106884 ETOT(band)= -0.116369 trlgG= -0.145149 logG= -0.027763 TDE= -0.170278 Density= 0.108198 ETOT(band)= -0.115633 trlgG= -0.144525 logG= -0.027563 TDE= -0.170504 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024103 logG= -0.029443 logGD-logG0= -0.004878 tlogG= -0.023707 logG= -0.028584 Density= 0.107380 ETOT(band)= -0.116609 trlgG= -0.146347 logG= -0.028584 TDE= -0.170900 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107881 ETOT(band)= -0.116870 trlgG= -0.147532 logG= -0.029443 TDE= -0.171474 logGD-logG0= -0.002654 tlogG= -0.011996 logG= -0.014650 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053979 ETOT(band)= -0.058364 trlgG= -0.073646 logG= -0.014650 TDE= -0.085708 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108218 ETOT(band)= -0.116515 trlgG= -0.147060 logG= -0.029158 TDE= -0.171454 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.022869 logG= -0.027781 logGD-logG0= -0.005080 tlogG= -0.022755 logG= -0.027835 logGD-logG0= -0.005373 tlogG= -0.024148 logG= -0.029521 Density= 0.107748 ETOT(band)= -0.115983 trlgG= -0.144883 logG= -0.027781 TDE= -0.170421 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107805 ETOT(band)= -0.116957 trlgG= -0.147655 logG= -0.029521 TDE= -0.171481 logGD-logG0= -0.005179 tlogG= -0.023624 logG= -0.028802 Density= 0.108242 ETOT(band)= -0.115771 trlgG= -0.144962 logG= -0.027835 TDE= -0.170690 logGD-logG0= -0.005041 tlogG= -0.023664 logG= -0.028705 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108194 ETOT(band)= -0.116324 trlgG= -0.146491 logG= -0.028802 TDE= -0.171228 Density= 0.106985 ETOT(band)= -0.116813 trlgG= -0.146239 logG= -0.028705 TDE= -0.170475 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023889 logG= -0.029066 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108239 ETOT(band)= -0.116451 trlgG= -0.146912 logG= -0.029066 TDE= -0.171408 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.024111 logG= -0.029152 Density= 0.107379 ETOT(band)= -0.116920 trlgG= -0.147089 logG= -0.029152 TDE= -0.171074 logGD-logG0= -0.004756 tlogG= -0.023703 logG= -0.028459 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106983 ETOT(band)= -0.116723 trlgG= -0.146432 logG= -0.028459 TDE= -0.170913 logGD-logG0= -0.004928 tlogG= -0.024086 logG= -0.029014 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107061 ETOT(band)= -0.116978 trlgG= -0.147110 logG= -0.029014 TDE= -0.171075 logGD-logG0= -0.005277 tlogG= -0.023985 logG= -0.029262 Density= 0.107443 ETOT(band)= -0.116943 trlgG= -0.147189 logG= -0.029262 TDE= -0.171095 logGD-logG0= -0.004789 tlogG= -0.022870 logG= -0.027659 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107303 ETOT(band)= -0.116122 trlgG= -0.145003 logG= -0.027659 TDE= -0.170443 logGD-logG0= -0.005347 tlogG= -0.023218 logG= -0.028566 Density= 0.107681 ETOT(band)= -0.116436 trlgG= -0.146102 logG= -0.028566 TDE= -0.170822 logGD-logG0= -0.005326 tlogG= -0.023887 logG= -0.029213 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107909 ETOT(band)= -0.116697 trlgG= -0.147149 logG= -0.029213 TDE= -0.171334 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009879 tlogG= -0.048278 logG= -0.058157 Density= 0.214407 ETOT(band)= -0.233918 trlgG= -0.294299 logG= -0.058157 TDE= -0.342241 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.024074 logG= -0.029390 Density= 0.107940 ETOT(band)= -0.116804 trlgG= -0.147445 logG= -0.029390 TDE= -0.171469 logGD-logG0= -0.001707 tlogG= -0.007310 logG= -0.009017 logGD-logG0= -0.001640 tlogG= -0.006999 logG= -0.008640 logGD-logG0= -0.009745 tlogG= -0.047193 logG= -0.056938 Density= 0.036193 ETOT(band)= -0.038094 trlgG= -0.047239 logG= -0.008640 TDE= -0.056509 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213784 ETOT(band)= -0.233502 trlgG= -0.292714 logG= -0.056938 TDE= -0.341568 Density= 0.035846 ETOT(band)= -0.038538 trlgG= -0.047894 logG= -0.009017 TDE= -0.056616 logGD-logG0= -0.005363 tlogG= -0.023597 logG= -0.028960 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107796 ETOT(band)= -0.116600 trlgG= -0.146732 logG= -0.028960 TDE= -0.171115 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009569 tlogG= -0.045797 logG= -0.055366 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009198 tlogG= -0.047665 logG= -0.056863 Density= 0.215025 ETOT(band)= -0.232082 trlgG= -0.289914 logG= -0.055366 TDE= -0.340953 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010024 tlogG= -0.047934 logG= -0.057958 Density= 0.212953 ETOT(band)= -0.233790 trlgG= -0.292780 logG= -0.056863 TDE= -0.341297 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213980 ETOT(band)= -0.233950 trlgG= -0.293981 logG= -0.057958 TDE= -0.341911 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.047784 logG= -0.058385 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.045626 logG= -0.055472 Density= 0.214759 ETOT(band)= -0.233847 trlgG= -0.294129 logG= -0.058385 TDE= -0.342018 logGD-logG0= -0.009623 tlogG= -0.047970 logG= -0.057593 Density= 0.213294 ETOT(band)= -0.234005 trlgG= -0.293422 logG= -0.057593 TDE= -0.341378 logGD-logG0= -0.010555 tlogG= -0.048120 logG= -0.058675 logGD-logG0= -0.009899 tlogG= -0.047195 logG= -0.057093 Density= 0.213795 ETOT(band)= -0.233547 trlgG= -0.292507 logG= -0.057093 TDE= -0.341210 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214379 ETOT(band)= -0.232424 trlgG= -0.290083 logG= -0.055472 TDE= -0.340696 Density= 0.215068 ETOT(band)= -0.233905 trlgG= -0.294644 logG= -0.058675 TDE= -0.342395 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009518 tlogG= -0.047482 logG= -0.057000 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214321 ETOT(band)= -0.233340 trlgG= -0.292852 logG= -0.057000 TDE= -0.341908 logGD-logG0= -0.010402 tlogG= -0.048020 logG= -0.058422 Density= 0.215071 ETOT(band)= -0.233759 trlgG= -0.294228 logG= -0.058422 TDE= -0.342233 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.048055 logG= -0.058690 Density= 0.215104 ETOT(band)= -0.233896 trlgG= -0.294671 logG= -0.058690 TDE= -0.342425 logGD-logG0= -0.010148 tlogG= -0.048065 logG= -0.058213 logGD-logG0= -0.010702 tlogG= -0.047562 logG= -0.058264 Density= 0.215691 ETOT(band)= -0.233360 trlgG= -0.294027 logG= -0.058264 TDE= -0.342497 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214536 ETOT(band)= -0.233867 trlgG= -0.294051 logG= -0.058213 TDE= -0.342001 logGD-logG0= -0.010484 tlogG= -0.047352 logG= -0.057836 Density= 0.214271 ETOT(band)= -0.233734 trlgG= -0.293211 logG= -0.057836 TDE= -0.341407 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009951 tlogG= -0.045689 logG= -0.055639 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215155 ETOT(band)= -0.232160 trlgG= -0.289909 logG= -0.055639 TDE= -0.340739 logGD-logG0= -0.010629 tlogG= -0.047974 logG= -0.058603 logGD-logG0= -0.010656 tlogG= -0.047466 logG= -0.058122 Density= 0.215461 ETOT(band)= -0.233397 trlgG= -0.293783 logG= -0.058122 TDE= -0.342282 Density= 0.215884 ETOT(band)= -0.233479 trlgG= -0.294591 logG= -0.058603 TDE= -0.342818 logGD-logG0= -0.010464 tlogG= -0.047825 logG= -0.058288 Density= 0.214659 ETOT(band)= -0.233839 trlgG= -0.293959 logG= -0.058288 TDE= -0.341895 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047699 logG= -0.057958 Density= 0.213962 ETOT(band)= -0.233937 trlgG= -0.293733 logG= -0.057958 TDE= -0.341654 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010747 tlogG= -0.048188 logG= -0.058935 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010261 tlogG= -0.046454 logG= -0.056715 Density= 0.215416 ETOT(band)= -0.233926 trlgG= -0.295111 logG= -0.058935 TDE= -0.342775 Density= 0.215217 ETOT(band)= -0.232725 trlgG= -0.291538 logG= -0.056715 TDE= -0.341323 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010698 tlogG= -0.046924 logG= -0.057622 logGD-logG0= -0.009873 tlogG= -0.047261 logG= -0.057133 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214485 ETOT(band)= -0.233303 trlgG= -0.292629 logG= -0.057133 TDE= -0.341633 Density= 0.215425 ETOT(band)= -0.233120 trlgG= -0.292983 logG= -0.057622 TDE= -0.341964 logGD-logG0= -0.010683 tlogG= -0.047922 logG= -0.058605 Density= 0.215757 ETOT(band)= -0.233549 trlgG= -0.294590 logG= -0.058605 TDE= -0.342752 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002488 tlogG= -0.010851 logG= -0.013339 Density= 0.054062 ETOT(band)= -0.057538 trlgG= -0.071523 logG= -0.013339 TDE= -0.084937 logGD-logG0= -0.004951 tlogG= -0.021588 logG= -0.026539 Density= 0.108506 ETOT(band)= -0.114779 trlgG= -0.142795 logG= -0.026539 TDE= -0.169950 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010173 tlogG= -0.047193 logG= -0.057366 Density= 0.215151 ETOT(band)= -0.233126 trlgG= -0.292553 logG= -0.057366 TDE= -0.341654 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.021897 logG= -0.026935 Density= 0.108318 ETOT(band)= -0.115143 trlgG= -0.143472 logG= -0.026935 TDE= -0.170138 logGD-logG0= -0.004871 tlogG= -0.021013 logG= -0.025885 Density= 0.108700 ETOT(band)= -0.114194 trlgG= -0.141642 logG= -0.025885 TDE= -0.169547 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005119 tlogG= -0.021837 logG= -0.026956 Density= 0.107791 ETOT(band)= -0.115426 trlgG= -0.143526 logG= -0.026956 TDE= -0.169910 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005060 tlogG= -0.021714 logG= -0.026774 Density= 0.107932 ETOT(band)= -0.115235 trlgG= -0.143218 logG= -0.026774 TDE= -0.169855 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010114 tlogG= -0.043430 logG= -0.053544 Density= 0.216273 ETOT(band)= -0.230264 trlgG= -0.286418 logG= -0.053544 TDE= -0.339897 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002427 tlogG= -0.010438 logG= -0.012865 Density= 0.054373 ETOT(band)= -0.057024 trlgG= -0.070682 logG= -0.012865 TDE= -0.084723 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001269 tlogG= -0.005753 logG= -0.007022 Density= 0.080637 ETOT(band)= -0.087315 trlgG= -0.109580 logG= -0.007022 TDE= -0.042716 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005120 tlogG= -0.023974 logG= -0.029094 Density= 0.214347 ETOT(band)= -0.233869 trlgG= -0.293818 logG= -0.029094 TDE= -0.170938 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023990 logG= -0.028606 Density= 0.212836 ETOT(band)= -0.234024 trlgG= -0.293384 logG= -0.028606 TDE= -0.170708 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023433 logG= -0.028687 Density= 0.216185 ETOT(band)= -0.232455 trlgG= -0.292134 logG= -0.028687 TDE= -0.171063 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.023261 logG= -0.028086 logGD-logG0= -0.005161 tlogG= -0.022461 logG= -0.027622 Density= 0.216362 ETOT(band)= -0.231083 trlgG= -0.288538 logG= -0.027622 TDE= -0.170445 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213521 ETOT(band)= -0.233376 trlgG= -0.292122 logG= -0.028086 TDE= -0.170619 logGD-logG0= -0.004876 tlogG= -0.023852 logG= -0.028729 Density= 0.213590 ETOT(band)= -0.233911 trlgG= -0.293639 logG= -0.028729 TDE= -0.170922 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023216 logG= -0.028424 Density= 0.214875 ETOT(band)= -0.232734 trlgG= -0.291132 logG= -0.028424 TDE= -0.170492 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001447 tlogG= -0.007970 logG= -0.009417 Density= 0.070878 ETOT(band)= -0.077866 trlgG= -0.097416 logG= -0.009417 TDE= -0.056920 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005860 logG= -0.007145 Density= 0.080648 ETOT(band)= -0.087531 trlgG= -0.110135 logG= -0.007145 TDE= -0.042781 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005944 logG= -0.007233 Density= 0.080829 ETOT(band)= -0.087569 trlgG= -0.110333 logG= -0.007233 TDE= -0.042835 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005625 logG= -0.006873 Density= 0.080838 ETOT(band)= -0.086888 trlgG= -0.108580 logG= -0.006873 TDE= -0.042640 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004340 tlogG= -0.024146 logG= -0.028486 Density= 0.212208 ETOT(band)= -0.234118 trlgG= -0.293572 logG= -0.028486 TDE= -0.170851 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001597 tlogG= -0.006882 logG= -0.008479 Density= 0.040843 ETOT(band)= -0.042639 trlgG= -0.052791 logG= -0.008479 TDE= -0.056424 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004530 tlogG= -0.023602 logG= -0.028132 Density= 0.212652 ETOT(band)= -0.233743 trlgG= -0.292629 logG= -0.028132 TDE= -0.170569 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005988 logG= -0.007276 logGD-logG0= -0.004642 tlogG= -0.023907 logG= -0.028550 Density= 0.213306 ETOT(band)= -0.233620 trlgG= -0.292395 logG= -0.028550 TDE= -0.170660 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081055 ETOT(band)= -0.087475 trlgG= -0.110389 logG= -0.007276 TDE= -0.042865 logGD-logG0= -0.004474 tlogG= -0.023755 logG= -0.028230 Density= 0.213116 ETOT(band)= -0.233341 trlgG= -0.291659 logG= -0.028230 TDE= -0.170654 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001198 tlogG= -0.005177 logG= -0.006376 Density= 0.062544 ETOT(band)= -0.067478 trlgG= -0.084183 logG= -0.006376 TDE= -0.042330 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005272 tlogG= -0.024018 logG= -0.029290 Density= 0.215676 ETOT(band)= -0.233648 trlgG= -0.294743 logG= -0.029290 TDE= -0.171451 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023505 logG= -0.028797 Density= 0.215213 ETOT(band)= -0.233112 trlgG= -0.292826 logG= -0.028797 TDE= -0.171042 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022924 logG= -0.027933 Density= 0.214808 ETOT(band)= -0.232178 trlgG= -0.289605 logG= -0.027933 TDE= -0.170308 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.007593 logG= -0.009181 Density= 0.071503 ETOT(band)= -0.077272 trlgG= -0.096126 logG= -0.009181 TDE= -0.056696 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.024016 logG= -0.029252 logGD-logG0= -0.004815 tlogG= -0.024023 logG= -0.028837 Density= 0.216337 ETOT(band)= -0.233140 trlgG= -0.294279 logG= -0.029252 TDE= -0.171469 Density= 0.321576 ETOT(band)= -0.350769 trlgG= -0.441204 logG= -0.028837 TDE= -0.171100 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.023816 logG= -0.029121 Density= 0.215329 ETOT(band)= -0.233550 trlgG= -0.294090 logG= -0.029121 TDE= -0.171299 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.023865 logG= -0.028981 Density= 0.215488 ETOT(band)= -0.233547 trlgG= -0.294190 logG= -0.028981 TDE= -0.170985 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.024180 logG= -0.029266 Density= 0.322438 ETOT(band)= -0.350894 trlgG= -0.441885 logG= -0.029266 TDE= -0.171107 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.024137 logG= -0.029502 Density= 0.215707 ETOT(band)= -0.233804 trlgG= -0.295157 logG= -0.029502 TDE= -0.171482 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010776 tlogG= -0.048078 logG= -0.058854 Density= 0.323235 ETOT(band)= -0.350669 trlgG= -0.442237 logG= -0.058854 TDE= -0.342766 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023779 logG= -0.029027 Density= 0.216263 ETOT(band)= -0.232837 trlgG= -0.293342 logG= -0.029027 TDE= -0.171302 logGD-logG0= -0.005224 tlogG= -0.022987 logG= -0.028212 Density= 0.216215 ETOT(band)= -0.231880 trlgG= -0.290520 logG= -0.028212 TDE= -0.170777 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.023974 logG= -0.029202 logGD-logG0= -0.004727 tlogG= -0.023385 logG= -0.028112 Density= 0.216371 ETOT(band)= -0.233036 trlgG= -0.294047 logG= -0.029202 TDE= -0.171442 Density= 0.321651 ETOT(band)= -0.349720 trlgG= -0.438628 logG= -0.028112 TDE= -0.170776 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.047820 logG= -0.058320 logGD-logG0= -0.010544 tlogG= -0.047271 logG= -0.057815 Density= 0.324113 ETOT(band)= -0.349242 trlgG= -0.439564 logG= -0.057815 TDE= -0.342387 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324326 ETOT(band)= -0.349612 trlgG= -0.440914 logG= -0.058320 TDE= -0.342778 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023903 logG= -0.028857 Density= 0.213804 ETOT(band)= -0.233776 trlgG= -0.292903 logG= -0.028857 TDE= -0.170666 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024104 logG= -0.029394 Density= 0.323051 ETOT(band)= -0.350874 trlgG= -0.442537 logG= -0.029394 TDE= -0.171295 logGD-logG0= -0.010539 tlogG= -0.046453 logG= -0.056991 Density= 0.323983 ETOT(band)= -0.348582 trlgG= -0.437478 logG= -0.056991 TDE= -0.341832 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023914 logG= -0.029326 Density= 0.215636 ETOT(band)= -0.233551 trlgG= -0.294471 logG= -0.029326 TDE= -0.171306 logGD-logG0= -0.009768 tlogG= -0.046643 logG= -0.056411 logGD-logG0= -0.010260 tlogG= -0.045674 logG= -0.055933 logGD-logG0= -0.005071 tlogG= -0.023265 logG= -0.028337 Density= 0.321714 ETOT(band)= -0.350229 trlgG= -0.439478 logG= -0.028337 TDE= -0.170730 Density= 0.324035 ETOT(band)= -0.347637 trlgG= -0.434861 logG= -0.055933 TDE= -0.341210 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322711 ETOT(band)= -0.348688 trlgG= -0.436283 logG= -0.056411 TDE= -0.341364 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024023 logG= -0.028805 Density= 0.214131 ETOT(band)= -0.233856 trlgG= -0.294036 logG= -0.028805 TDE= -0.171105 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023973 logG= -0.029370 Density= 0.323644 ETOT(band)= -0.350348 trlgG= -0.441990 logG= -0.029370 TDE= -0.171354 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023388 logG= -0.028083 Density= 0.214197 ETOT(band)= -0.233143 trlgG= -0.292243 logG= -0.028083 TDE= -0.170784 logGD-logG0= -0.005460 tlogG= -0.023700 logG= -0.029160 Density= 0.215403 ETOT(band)= -0.233400 trlgG= -0.293771 logG= -0.029160 TDE= -0.171128 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005474 tlogG= -0.023377 logG= -0.028851 Density= 0.215107 ETOT(band)= -0.233138 trlgG= -0.292628 logG= -0.028851 TDE= -0.170835 logGD-logG0= -0.010228 tlogG= -0.048184 logG= -0.058411 Density= 0.429306 ETOT(band)= -0.467824 trlgG= -0.588435 logG= -0.058411 TDE= -0.342063 logGD-logG0= -0.009724 tlogG= -0.047873 logG= -0.057597 Density= 0.428060 ETOT(band)= -0.467694 trlgG= -0.587656 logG= -0.057597 TDE= -0.342015 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009036 tlogG= -0.048129 logG= -0.057165 logGD-logG0= -0.009588 tlogG= -0.046642 logG= -0.056230 Density= 0.425592 ETOT(band)= -0.467845 trlgG= -0.586250 logG= -0.057165 TDE= -0.341530 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428127 ETOT(band)= -0.466389 trlgG= -0.584262 logG= -0.056230 TDE= -0.341386 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001708 tlogG= -0.007124 logG= -0.008832 Density= 0.072227 ETOT(band)= -0.076413 trlgG= -0.094823 logG= -0.008832 TDE= -0.056583 logGD-logG0= -0.010334 tlogG= -0.047706 logG= -0.058040 logGD-logG0= -0.010360 tlogG= -0.048259 logG= -0.058619 Density= 0.428311 ETOT(band)= -0.467682 trlgG= -0.586989 logG= -0.058040 TDE= -0.341655 logGD-logG0= -0.010850 tlogG= -0.047725 logG= -0.058575 Density= 0.431076 ETOT(band)= -0.467049 trlgG= -0.588538 logG= -0.058575 TDE= -0.342520 Density= 0.430032 ETOT(band)= -0.467838 trlgG= -0.589201 logG= -0.058619 TDE= -0.342268 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.024174 logG= -0.029235 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214743 ETOT(band)= -0.233946 trlgG= -0.294438 logG= -0.029235 TDE= -0.171111 logGD-logG0= -0.010737 tlogG= -0.047771 logG= -0.058508 logGD-logG0= -0.010569 tlogG= -0.048110 logG= -0.058679 Density= 0.430138 ETOT(band)= -0.467669 trlgG= -0.588875 logG= -0.058679 TDE= -0.342394 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009530 tlogG= -0.046748 logG= -0.056278 Density= 0.427932 ETOT(band)= -0.465663 trlgG= -0.581652 logG= -0.056278 TDE= -0.340968 Density= 0.430739 ETOT(band)= -0.467101 trlgG= -0.588173 logG= -0.058508 TDE= -0.342412 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.021325 logG= -0.026277 Density= 0.162637 ETOT(band)= -0.172839 trlgG= -0.215875 logG= -0.026277 TDE= -0.169763 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004993 tlogG= -0.022310 logG= -0.027303 Density= 0.214280 ETOT(band)= -0.232211 trlgG= -0.289350 logG= -0.027303 TDE= -0.170043 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009900 tlogG= -0.047890 logG= -0.057790 Density= 0.429144 ETOT(band)= -0.467485 trlgG= -0.587647 logG= -0.057790 TDE= -0.342005 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009724 tlogG= -0.047690 logG= -0.057414 Density= 0.426713 ETOT(band)= -0.467889 trlgG= -0.586770 logG= -0.057414 TDE= -0.341544 logGD-logG0= -0.009679 tlogG= -0.047808 logG= -0.057487 Density= 0.427213 ETOT(band)= -0.467445 trlgG= -0.585631 logG= -0.057487 TDE= -0.341247 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010395 tlogG= -0.047993 logG= -0.058388 Density= 0.429211 ETOT(band)= -0.467785 trlgG= -0.588073 logG= -0.058388 TDE= -0.341897 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.022490 logG= -0.027451 Density= 0.215034 ETOT(band)= -0.231443 trlgG= -0.287964 logG= -0.027451 TDE= -0.170056 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010080 tlogG= -0.047594 logG= -0.057674 logGD-logG0= -0.010015 tlogG= -0.046437 logG= -0.056452 Density= 0.429549 ETOT(band)= -0.465115 trlgG= -0.581351 logG= -0.056452 TDE= -0.341083 Density= 0.428627 ETOT(band)= -0.467029 trlgG= -0.586037 logG= -0.057674 TDE= -0.341702 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010775 tlogG= -0.048049 logG= -0.058824 Density= 0.431312 ETOT(band)= -0.467334 trlgG= -0.589532 logG= -0.058824 TDE= -0.342784 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010398 tlogG= -0.046970 logG= -0.057367 Density= 0.429887 ETOT(band)= -0.466037 trlgG= -0.584042 logG= -0.057367 TDE= -0.341366 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010796 tlogG= -0.047309 logG= -0.058105 Density= 0.430475 ETOT(band)= -0.466673 trlgG= -0.586700 logG= -0.058105 TDE= -0.342029 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010322 tlogG= -0.047609 logG= -0.057931 Density= 0.430010 ETOT(band)= -0.466687 trlgG= -0.585971 logG= -0.057931 TDE= -0.341809 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.022347 logG= -0.027227 Density= 0.322881 ETOT(band)= -0.347656 trlgG= -0.433894 logG= -0.027227 TDE= -0.170126 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010055 tlogG= -0.044663 logG= -0.054719 Density= 0.324279 ETOT(band)= -0.346368 trlgG= -0.431857 logG= -0.054719 TDE= -0.340536 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.021901 logG= -0.027025 Density= 0.216618 ETOT(band)= -0.230086 trlgG= -0.286427 logG= -0.027025 TDE= -0.170106 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001236 tlogG= -0.005474 logG= -0.006710 Density= 0.081197 ETOT(band)= -0.086279 trlgG= -0.107348 logG= -0.006710 TDE= -0.042543 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021374 logG= -0.026409 Density= 0.217007 ETOT(band)= -0.228983 trlgG= -0.284230 logG= -0.026409 TDE= -0.169775 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004840 tlogG= -0.022346 logG= -0.027186 Density= 0.215037 ETOT(band)= -0.231733 trlgG= -0.289007 logG= -0.027186 TDE= -0.170130 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004994 tlogG= -0.021229 logG= -0.026223 Density= 0.216341 ETOT(band)= -0.229835 trlgG= -0.285477 logG= -0.026223 TDE= -0.169682 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005313 logG= -0.006530 Density= 0.081551 ETOT(band)= -0.085616 trlgG= -0.106194 logG= -0.006530 TDE= -0.042432 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009906 tlogG= -0.044663 logG= -0.054569 Density= 0.431610 ETOT(band)= -0.461662 trlgG= -0.574597 logG= -0.054569 TDE= -0.340170 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.515178172205 eV TrLogG= -407.153164334434 eV Ratio to renormalize= 1.000016543747 rho-rho_expected=-0.000363956419 nargs= 1 argi=dmft2.def 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 67) Finished k-point number 136 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964394934715616 0.939866059920241 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002349 tlogG= -0.011892 logG= -0.014241 Density= 0.053564 ETOT(band)= -0.058342 trlgG= -0.073238 logG= -0.014241 TDE= -0.085503 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004366 tlogG= -0.024066 logG= -0.028432 Density= 0.106134 ETOT(band)= -0.117032 trlgG= -0.146721 logG= -0.028432 TDE= -0.170810 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001051 logGD-logG0= -0.005002 tlogG= -0.022191 logG= -0.027193 Density= 0.108352 ETOT(band)= -0.115327 trlgG= -0.143918 logG= -0.027193 TDE= -0.170342 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005851 logG= -0.001051 TDE= -0.007048 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002626 tlogG= -0.012041 logG= -0.014667 Density= 0.053761 ETOT(band)= -0.058477 trlgG= -0.073657 logG= -0.014667 TDE= -0.085594 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.012090 logG= -0.014534 Density= 0.053585 ETOT(band)= -0.058486 trlgG= -0.073600 logG= -0.014534 TDE= -0.085582 logGD-logG0= -0.002357 tlogG= -0.011456 logG= -0.013813 logGD-logG0= -0.005334 tlogG= -0.023701 logG= -0.029035 Density= 0.107233 ETOT(band)= -0.116886 trlgG= -0.146789 logG= -0.029035 TDE= -0.170818 Density= 0.053738 ETOT(band)= -0.058013 trlgG= -0.072475 logG= -0.013813 TDE= -0.085254 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023663 logG= -0.028705 logGD-logG0= -0.004589 tlogG= -0.024062 logG= -0.028651 Density= 0.106401 ETOT(band)= -0.117025 trlgG= -0.146736 logG= -0.028651 TDE= -0.170738 Density= 0.106984 ETOT(band)= -0.116811 trlgG= -0.146236 logG= -0.028705 TDE= -0.170473 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001502 tlogG= -0.007816 logG= -0.009318 Density= 0.035497 ETOT(band)= -0.038882 trlgG= -0.048586 logG= -0.009318 TDE= -0.056834 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004756 tlogG= -0.023702 logG= -0.028459 logGD-logG0= -0.004780 tlogG= -0.023517 logG= -0.028297 Density= 0.106783 ETOT(band)= -0.116689 trlgG= -0.145895 logG= -0.028297 TDE= -0.170440 Density= 0.106982 ETOT(band)= -0.116721 trlgG= -0.146429 logG= -0.028459 TDE= -0.170911 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.023913 logG= -0.028859 logGD-logG0= -0.001420 tlogG= -0.008049 logG= -0.009469 Density= 0.035319 ETOT(band)= -0.039031 trlgG= -0.048948 logG= -0.009469 TDE= -0.056957 Density= 0.106765 ETOT(band)= -0.116990 trlgG= -0.146848 logG= -0.028859 TDE= -0.170822 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.022478 logG= -0.027562 Density= 0.108197 ETOT(band)= -0.115631 trlgG= -0.144523 logG= -0.027562 TDE= -0.170502 logGD-logG0= -0.004790 tlogG= -0.022869 logG= -0.027659 logGD-logG0= -0.002585 tlogG= -0.011992 logG= -0.014578 Density= 0.107303 ETOT(band)= -0.116120 trlgG= -0.145001 logG= -0.027659 TDE= -0.170441 Density= 0.054132 ETOT(band)= -0.058245 trlgG= -0.073527 logG= -0.014578 TDE= -0.085736 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023002 logG= -0.028155 Density= 0.108128 ETOT(band)= -0.116004 trlgG= -0.145469 logG= -0.028155 TDE= -0.170820 logGD-logG0= -0.005326 tlogG= -0.024090 logG= -0.029416 Density= 0.107638 ETOT(band)= -0.116957 trlgG= -0.147462 logG= -0.029416 TDE= -0.171310 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023448 logG= -0.028645 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108122 ETOT(band)= -0.116275 trlgG= -0.146243 logG= -0.028645 TDE= -0.171102 logGD-logG0= -0.004394 tlogG= -0.023989 logG= -0.028382 Density= 0.106186 ETOT(band)= -0.116989 trlgG= -0.146609 logG= -0.028382 TDE= -0.170773 logGD-logG0= -0.005203 tlogG= -0.023781 logG= -0.028984 logGD-logG0= -0.005190 tlogG= -0.023967 logG= -0.029157 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108217 ETOT(band)= -0.116513 trlgG= -0.147058 logG= -0.029157 TDE= -0.171452 Density= 0.108168 ETOT(band)= -0.116438 trlgG= -0.146779 logG= -0.028984 TDE= -0.171322 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002654 tlogG= -0.011996 logG= -0.014650 Density= 0.053979 ETOT(band)= -0.058364 trlgG= -0.073645 logG= -0.014650 TDE= -0.085707 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023221 logG= -0.027891 Density= 0.106749 ETOT(band)= -0.116497 trlgG= -0.145408 logG= -0.027891 TDE= -0.170342 logGD-logG0= -0.004912 tlogG= -0.022869 logG= -0.027781 Density= 0.107747 ETOT(band)= -0.115981 trlgG= -0.144881 logG= -0.027781 TDE= -0.170419 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023888 logG= -0.029066 Density= 0.108238 ETOT(band)= -0.116449 trlgG= -0.146909 logG= -0.029066 TDE= -0.171405 logGD-logG0= -0.005179 tlogG= -0.023623 logG= -0.028802 logGD-logG0= -0.004878 tlogG= -0.023706 logG= -0.028584 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108193 ETOT(band)= -0.116322 trlgG= -0.146488 logG= -0.028802 TDE= -0.171226 logGD-logG0= -0.005147 tlogG= -0.023234 logG= -0.028382 Density= 0.107380 ETOT(band)= -0.116607 trlgG= -0.146345 logG= -0.028584 TDE= -0.170898 logGD-logG0= -0.001707 tlogG= -0.007310 logG= -0.009017 Density= 0.035845 ETOT(band)= -0.038538 trlgG= -0.047894 logG= -0.009017 TDE= -0.056615 logGD-logG0= -0.005081 tlogG= -0.022754 logG= -0.027835 Density= 0.108241 ETOT(band)= -0.115769 trlgG= -0.144959 logG= -0.027835 TDE= -0.170688 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005373 tlogG= -0.024148 logG= -0.029521 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.024102 logG= -0.029443 Density= 0.107880 ETOT(band)= -0.116868 trlgG= -0.147529 logG= -0.029443 TDE= -0.171471 logGD-logG0= -0.005277 tlogG= -0.023985 logG= -0.029262 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023005 logG= -0.027762 Density= 0.106883 ETOT(band)= -0.116367 trlgG= -0.145147 logG= -0.027762 TDE= -0.170276 Density= 0.107443 ETOT(band)= -0.116941 trlgG= -0.147186 logG= -0.029262 TDE= -0.171092 Density= 0.108185 ETOT(band)= -0.116099 trlgG= -0.145825 logG= -0.028382 TDE= -0.170979 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107804 ETOT(band)= -0.116955 trlgG= -0.147653 logG= -0.029521 TDE= -0.171479 logGD-logG0= -0.005041 tlogG= -0.024110 logG= -0.029151 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023686 logG= -0.028410 Density= 0.106609 ETOT(band)= -0.116833 trlgG= -0.146319 logG= -0.028410 TDE= -0.170664 logGD-logG0= -0.005358 tlogG= -0.023923 logG= -0.029281 Density= 0.107746 ETOT(band)= -0.116825 trlgG= -0.147249 logG= -0.029281 TDE= -0.171286 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107379 ETOT(band)= -0.116919 trlgG= -0.147087 logG= -0.029151 TDE= -0.171072 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002427 tlogG= -0.010438 logG= -0.012865 Density= 0.054372 ETOT(band)= -0.057023 trlgG= -0.070681 logG= -0.012865 TDE= -0.084722 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.022895 logG= -0.028053 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107616 ETOT(band)= -0.116184 trlgG= -0.145289 logG= -0.028053 TDE= -0.170491 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023218 logG= -0.028565 Density= 0.107681 ETOT(band)= -0.116434 trlgG= -0.146099 logG= -0.028565 TDE= -0.170820 logGD-logG0= -0.004929 tlogG= -0.024085 logG= -0.029014 logGD-logG0= -0.005316 tlogG= -0.024073 logG= -0.029389 Density= 0.107939 ETOT(band)= -0.116802 trlgG= -0.147442 logG= -0.029389 TDE= -0.171466 Density= 0.107060 ETOT(band)= -0.116976 trlgG= -0.147107 logG= -0.029014 TDE= -0.171072 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009880 tlogG= -0.048277 logG= -0.058157 logGD-logG0= -0.005327 tlogG= -0.023886 logG= -0.029213 Density= 0.214406 ETOT(band)= -0.233914 trlgG= -0.294293 logG= -0.058157 TDE= -0.342235 Density= 0.107908 ETOT(band)= -0.116695 trlgG= -0.147146 logG= -0.029213 TDE= -0.171332 logGD-logG0= -0.009569 tlogG= -0.045796 logG= -0.055365 logGD-logG0= -0.009199 tlogG= -0.047664 logG= -0.056862 logGD-logG0= -0.009745 tlogG= -0.047191 logG= -0.056937 Density= 0.213783 ETOT(band)= -0.233498 trlgG= -0.292709 logG= -0.056937 TDE= -0.341562 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212952 ETOT(band)= -0.233786 trlgG= -0.292775 logG= -0.056862 TDE= -0.341291 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023596 logG= -0.028959 Density= 0.107795 ETOT(band)= -0.116598 trlgG= -0.146730 logG= -0.028959 TDE= -0.171113 Density= 0.215024 ETOT(band)= -0.232078 trlgG= -0.289909 logG= -0.055365 TDE= -0.340948 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.045624 logG= -0.055472 Density= 0.214378 ETOT(band)= -0.232420 trlgG= -0.290078 logG= -0.055472 TDE= -0.340691 logGD-logG0= -0.009899 tlogG= -0.047194 logG= -0.057093 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213794 ETOT(band)= -0.233543 trlgG= -0.292502 logG= -0.057093 TDE= -0.341205 logGD-logG0= -0.004952 tlogG= -0.021587 logG= -0.026539 Density= 0.108506 ETOT(band)= -0.114777 trlgG= -0.142792 logG= -0.026539 TDE= -0.169948 logGD-logG0= -0.009624 tlogG= -0.047969 logG= -0.057592 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010601 tlogG= -0.047783 logG= -0.058384 Density= 0.214757 ETOT(band)= -0.233843 trlgG= -0.294124 logG= -0.058384 TDE= -0.342013 Density= 0.213292 ETOT(band)= -0.234001 trlgG= -0.293417 logG= -0.057592 TDE= -0.341372 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009519 tlogG= -0.047481 logG= -0.057000 logGD-logG0= -0.010025 tlogG= -0.047932 logG= -0.057957 Density= 0.213979 ETOT(band)= -0.233946 trlgG= -0.293975 logG= -0.057957 TDE= -0.341906 logGD-logG0= -0.010403 tlogG= -0.048019 logG= -0.058421 logGD-logG0= -0.010556 tlogG= -0.048118 logG= -0.058674 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215066 ETOT(band)= -0.233901 trlgG= -0.294638 logG= -0.058674 TDE= -0.342390 Density= 0.215069 ETOT(band)= -0.233756 trlgG= -0.294222 logG= -0.058421 TDE= -0.342228 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214320 ETOT(band)= -0.233336 trlgG= -0.292846 logG= -0.057000 TDE= -0.341903 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002488 tlogG= -0.010850 logG= -0.013339 Density= 0.054062 ETOT(band)= -0.057537 trlgG= -0.071522 logG= -0.013339 TDE= -0.084936 logGD-logG0= -0.010636 tlogG= -0.048054 logG= -0.058689 logGD-logG0= -0.010260 tlogG= -0.047698 logG= -0.057958 Density= 0.213960 ETOT(band)= -0.233933 trlgG= -0.293728 logG= -0.057958 TDE= -0.341648 logGD-logG0= -0.010148 tlogG= -0.048064 logG= -0.058212 Density= 0.215102 ETOT(band)= -0.233892 trlgG= -0.294666 logG= -0.058689 TDE= -0.342420 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214534 ETOT(band)= -0.233863 trlgG= -0.294046 logG= -0.058212 TDE= -0.341996 logGD-logG0= -0.001641 tlogG= -0.006999 logG= -0.008640 Density= 0.036193 ETOT(band)= -0.038093 trlgG= -0.047238 logG= -0.008640 TDE= -0.056508 logGD-logG0= -0.004872 tlogG= -0.021012 logG= -0.025884 Density= 0.108700 ETOT(band)= -0.114192 trlgG= -0.141639 logG= -0.025884 TDE= -0.169545 logGD-logG0= -0.010630 tlogG= -0.047973 logG= -0.058602 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215882 ETOT(band)= -0.233475 trlgG= -0.294586 logG= -0.058602 TDE= -0.342813 logGD-logG0= -0.010464 tlogG= -0.047823 logG= -0.058287 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010484 tlogG= -0.047351 logG= -0.057835 Density= 0.214658 ETOT(band)= -0.233836 trlgG= -0.293953 logG= -0.058287 TDE= -0.341889 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214270 ETOT(band)= -0.233730 trlgG= -0.293206 logG= -0.057835 TDE= -0.341402 logGD-logG0= -0.010656 tlogG= -0.047465 logG= -0.058121 Density= 0.215460 ETOT(band)= -0.233393 trlgG= -0.293778 logG= -0.058121 TDE= -0.342277 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.046453 logG= -0.056714 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215215 ETOT(band)= -0.232721 trlgG= -0.291533 logG= -0.056714 TDE= -0.341318 logGD-logG0= -0.009952 tlogG= -0.045687 logG= -0.055639 Density= 0.215154 ETOT(band)= -0.232156 trlgG= -0.289903 logG= -0.055639 TDE= -0.340734 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010703 tlogG= -0.047560 logG= -0.058263 Density= 0.215689 ETOT(band)= -0.233356 trlgG= -0.294021 logG= -0.058263 TDE= -0.342492 logGD-logG0= -0.009873 tlogG= -0.047259 logG= -0.057133 Density= 0.214484 ETOT(band)= -0.233300 trlgG= -0.292624 logG= -0.057133 TDE= -0.341628 logGD-logG0= -0.010698 tlogG= -0.046923 logG= -0.057621 logGD-logG0= -0.010747 tlogG= -0.048187 logG= -0.058934 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215414 ETOT(band)= -0.233922 trlgG= -0.295106 logG= -0.058934 TDE= -0.342770 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215424 ETOT(band)= -0.233116 trlgG= -0.292978 logG= -0.057621 TDE= -0.341959 logGD-logG0= -0.010684 tlogG= -0.047921 logG= -0.058605 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215755 ETOT(band)= -0.233546 trlgG= -0.294585 logG= -0.058605 TDE= -0.342747 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010174 tlogG= -0.047192 logG= -0.057365 Density= 0.215149 ETOT(band)= -0.233122 trlgG= -0.292548 logG= -0.057365 TDE= -0.341649 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.022427 logG= -0.027488 Density= 0.107637 ETOT(band)= -0.115851 trlgG= -0.144395 logG= -0.027488 TDE= -0.170171 logGD-logG0= -0.005060 tlogG= -0.021713 logG= -0.026773 Density= 0.107931 ETOT(band)= -0.115233 trlgG= -0.143216 logG= -0.026773 TDE= -0.169852 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.021897 logG= -0.026934 Density= 0.108317 ETOT(band)= -0.115141 trlgG= -0.143469 logG= -0.026934 TDE= -0.170136 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005119 tlogG= -0.021836 logG= -0.026955 Density= 0.107790 ETOT(band)= -0.115424 trlgG= -0.143523 logG= -0.026955 TDE= -0.169908 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010115 tlogG= -0.043428 logG= -0.053543 Density= 0.216271 ETOT(band)= -0.230260 trlgG= -0.286413 logG= -0.053543 TDE= -0.339892 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001270 tlogG= -0.005753 logG= -0.007022 Density= 0.080636 ETOT(band)= -0.087314 trlgG= -0.109578 logG= -0.007022 TDE= -0.042715 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.022460 logG= -0.027622 logGD-logG0= -0.004340 tlogG= -0.024146 logG= -0.028486 Density= 0.212207 ETOT(band)= -0.234113 trlgG= -0.293566 logG= -0.028486 TDE= -0.170849 Density= 0.216360 ETOT(band)= -0.231079 trlgG= -0.288533 logG= -0.027622 TDE= -0.170442 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005120 tlogG= -0.023973 logG= -0.029093 Density= 0.214346 ETOT(band)= -0.233865 trlgG= -0.293812 logG= -0.029093 TDE= -0.170935 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005625 logG= -0.006873 Density= 0.080837 ETOT(band)= -0.086887 trlgG= -0.108578 logG= -0.006873 TDE= -0.042639 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023903 logG= -0.028857 Density= 0.213802 ETOT(band)= -0.233772 trlgG= -0.292898 logG= -0.028857 TDE= -0.170664 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004617 tlogG= -0.023989 logG= -0.028606 Density= 0.212835 ETOT(band)= -0.234020 trlgG= -0.293378 logG= -0.028606 TDE= -0.170705 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023387 logG= -0.028082 Density= 0.214196 ETOT(band)= -0.233139 trlgG= -0.292238 logG= -0.028082 TDE= -0.170781 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023852 logG= -0.028728 Density= 0.213589 ETOT(band)= -0.233907 trlgG= -0.293634 logG= -0.028728 TDE= -0.170919 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004643 tlogG= -0.023907 logG= -0.028549 Density= 0.213305 ETOT(band)= -0.233616 trlgG= -0.292390 logG= -0.028549 TDE= -0.170657 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005943 logG= -0.007233 Density= 0.080828 ETOT(band)= -0.087567 trlgG= -0.110331 logG= -0.007233 TDE= -0.042834 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.022987 logG= -0.028211 Density= 0.216214 ETOT(band)= -0.231877 trlgG= -0.290515 logG= -0.028211 TDE= -0.170775 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023432 logG= -0.028686 Density= 0.216184 ETOT(band)= -0.232452 trlgG= -0.292129 logG= -0.028686 TDE= -0.171061 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.023260 logG= -0.028086 Density= 0.213520 ETOT(band)= -0.233372 trlgG= -0.292116 logG= -0.028086 TDE= -0.170616 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.024017 logG= -0.029289 logGD-logG0= -0.005474 tlogG= -0.023377 logG= -0.028851 logGD-logG0= -0.001288 tlogG= -0.005988 logG= -0.007276 Density= 0.081054 ETOT(band)= -0.087473 trlgG= -0.110387 logG= -0.007276 TDE= -0.042864 Density= 0.215674 ETOT(band)= -0.233645 trlgG= -0.294738 logG= -0.029289 TDE= -0.171448 logGD-logG0= -0.004782 tlogG= -0.024023 logG= -0.028805 Density= 0.214129 ETOT(band)= -0.233852 trlgG= -0.294030 logG= -0.028805 TDE= -0.171102 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215106 ETOT(band)= -0.233134 trlgG= -0.292623 logG= -0.028851 TDE= -0.170832 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023215 logG= -0.028424 Density= 0.214873 ETOT(band)= -0.232730 trlgG= -0.291127 logG= -0.028424 TDE= -0.170489 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.007593 logG= -0.009180 Density= 0.071503 ETOT(band)= -0.077270 trlgG= -0.096124 logG= -0.009180 TDE= -0.056695 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.022345 logG= -0.027185 Density= 0.215036 ETOT(band)= -0.231729 trlgG= -0.289002 logG= -0.027185 TDE= -0.170128 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001284 tlogG= -0.005860 logG= -0.007145 Density= 0.080647 ETOT(band)= -0.087530 trlgG= -0.110133 logG= -0.007145 TDE= -0.042780 logGD-logG0= -0.001447 tlogG= -0.007970 logG= -0.009417 Density= 0.070878 ETOT(band)= -0.077864 trlgG= -0.097414 logG= -0.009417 TDE= -0.056919 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005474 logG= -0.006710 Density= 0.081197 ETOT(band)= -0.086278 trlgG= -0.107346 logG= -0.006710 TDE= -0.042542 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005305 tlogG= -0.023815 logG= -0.029121 Density= 0.215327 ETOT(band)= -0.233546 trlgG= -0.294085 logG= -0.029121 TDE= -0.171296 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023864 logG= -0.028981 Density= 0.215487 ETOT(band)= -0.233544 trlgG= -0.294185 logG= -0.028981 TDE= -0.170983 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023504 logG= -0.028797 Density= 0.215212 ETOT(band)= -0.233109 trlgG= -0.292821 logG= -0.028797 TDE= -0.171040 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.024016 logG= -0.029252 Density= 0.216335 ETOT(band)= -0.233136 trlgG= -0.294274 logG= -0.029252 TDE= -0.171466 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.024022 logG= -0.028837 Density= 0.321574 ETOT(band)= -0.350763 trlgG= -0.441196 logG= -0.028837 TDE= -0.171098 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.024179 logG= -0.029266 Density= 0.322436 ETOT(band)= -0.350889 trlgG= -0.441877 logG= -0.029266 TDE= -0.171105 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004727 tlogG= -0.023384 logG= -0.028112 Density= 0.321649 ETOT(band)= -0.349714 trlgG= -0.438620 logG= -0.028112 TDE= -0.170773 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010260 tlogG= -0.045672 logG= -0.055933 logGD-logG0= -0.005365 tlogG= -0.024136 logG= -0.029501 logGD-logG0= -0.005229 tlogG= -0.023973 logG= -0.029202 Density= 0.324033 ETOT(band)= -0.347631 trlgG= -0.434854 logG= -0.055933 TDE= -0.341205 Density= 0.216369 ETOT(band)= -0.233033 trlgG= -0.294043 logG= -0.029202 TDE= -0.171440 Density= 0.215705 ETOT(band)= -0.233801 trlgG= -0.295152 logG= -0.029501 TDE= -0.171479 logGD-logG0= -0.004475 tlogG= -0.023755 logG= -0.028229 Density= 0.213115 ETOT(band)= -0.233337 trlgG= -0.291653 logG= -0.028229 TDE= -0.170651 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004530 tlogG= -0.023601 logG= -0.028132 Density= 0.212651 ETOT(band)= -0.233738 trlgG= -0.292623 logG= -0.028132 TDE= -0.170567 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023779 logG= -0.029027 logGD-logG0= -0.001217 tlogG= -0.005313 logG= -0.006530 Density= 0.081550 ETOT(band)= -0.085614 trlgG= -0.106192 logG= -0.006530 TDE= -0.042431 Density= 0.216261 ETOT(band)= -0.232833 trlgG= -0.293337 logG= -0.029027 TDE= -0.171299 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047819 logG= -0.058320 Density= 0.324324 ETOT(band)= -0.349607 trlgG= -0.440907 logG= -0.058320 TDE= -0.342773 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.024173 logG= -0.029234 logGD-logG0= -0.010545 tlogG= -0.047269 logG= -0.057814 Density= 0.214741 ETOT(band)= -0.233943 trlgG= -0.294433 logG= -0.029234 TDE= -0.171109 Density= 0.324111 ETOT(band)= -0.349236 trlgG= -0.439557 logG= -0.057814 TDE= -0.342382 logGD-logG0= -0.005072 tlogG= -0.023265 logG= -0.028336 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001597 tlogG= -0.006882 logG= -0.008479 Density= 0.040843 ETOT(band)= -0.042638 trlgG= -0.052790 logG= -0.008479 TDE= -0.056423 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321712 ETOT(band)= -0.350223 trlgG= -0.439470 logG= -0.028336 TDE= -0.170727 logGD-logG0= -0.010777 tlogG= -0.048077 logG= -0.058853 logGD-logG0= -0.010539 tlogG= -0.046451 logG= -0.056990 Density= 0.323981 ETOT(band)= -0.348577 trlgG= -0.437471 logG= -0.056990 TDE= -0.341827 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323232 ETOT(band)= -0.350663 trlgG= -0.442229 logG= -0.058853 TDE= -0.342760 logGD-logG0= -0.009769 tlogG= -0.046641 logG= -0.056410 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322709 ETOT(band)= -0.348682 trlgG= -0.436276 logG= -0.056410 TDE= -0.341359 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001198 tlogG= -0.005177 logG= -0.006376 Density= 0.062544 ETOT(band)= -0.067477 trlgG= -0.084182 logG= -0.006376 TDE= -0.042330 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005413 tlogG= -0.023913 logG= -0.029326 Density= 0.215635 ETOT(band)= -0.233547 trlgG= -0.294466 logG= -0.029326 TDE= -0.171303 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.023972 logG= -0.029370 Density= 0.323642 ETOT(band)= -0.350342 trlgG= -0.441982 logG= -0.029370 TDE= -0.171351 logGD-logG0= -0.009037 tlogG= -0.048128 logG= -0.057164 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425590 ETOT(band)= -0.467837 trlgG= -0.586239 logG= -0.057164 TDE= -0.341524 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005460 tlogG= -0.023699 logG= -0.029159 Density= 0.215401 ETOT(band)= -0.233396 trlgG= -0.293766 logG= -0.029159 TDE= -0.171126 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009589 tlogG= -0.046641 logG= -0.056230 Density= 0.428125 ETOT(band)= -0.466381 trlgG= -0.584252 logG= -0.056230 TDE= -0.341381 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010228 tlogG= -0.048182 logG= -0.058411 logGD-logG0= -0.005290 tlogG= -0.024104 logG= -0.029393 Density= 0.429303 ETOT(band)= -0.467816 trlgG= -0.588425 logG= -0.058411 TDE= -0.342058 Density= 0.323048 ETOT(band)= -0.350869 trlgG= -0.442529 logG= -0.029393 TDE= -0.171292 logGD-logG0= -0.009530 tlogG= -0.046747 logG= -0.056277 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427930 ETOT(band)= -0.465655 trlgG= -0.581641 logG= -0.056277 TDE= -0.340962 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009725 tlogG= -0.047871 logG= -0.057597 Density= 0.428057 ETOT(band)= -0.467686 trlgG= -0.587645 logG= -0.057597 TDE= -0.342010 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.021324 logG= -0.026277 Density= 0.162636 ETOT(band)= -0.172837 trlgG= -0.215871 logG= -0.026277 TDE= -0.169760 logGD-logG0= -0.010335 tlogG= -0.047704 logG= -0.058039 logGD-logG0= -0.010569 tlogG= -0.048109 logG= -0.058679 Density= 0.428308 ETOT(band)= -0.467674 trlgG= -0.586978 logG= -0.058039 TDE= -0.341650 Density= 0.430134 ETOT(band)= -0.467661 trlgG= -0.588865 logG= -0.058679 TDE= -0.342389 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010737 tlogG= -0.047770 logG= -0.058507 Density= 0.430736 ETOT(band)= -0.467093 trlgG= -0.588162 logG= -0.058507 TDE= -0.342407 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010360 tlogG= -0.048258 logG= -0.058618 Density= 0.430029 ETOT(band)= -0.467830 trlgG= -0.589191 logG= -0.058618 TDE= -0.342263 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009679 tlogG= -0.047807 logG= -0.057486 Density= 0.427211 ETOT(band)= -0.467437 trlgG= -0.585620 logG= -0.057486 TDE= -0.341241 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047991 logG= -0.058388 logGD-logG0= -0.009725 tlogG= -0.047689 logG= -0.057414 Density= 0.426711 ETOT(band)= -0.467881 trlgG= -0.586759 logG= -0.057414 TDE= -0.341538 Density= 0.429208 ETOT(band)= -0.467777 trlgG= -0.588062 logG= -0.058388 TDE= -0.341891 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.047888 logG= -0.057789 Density= 0.429142 ETOT(band)= -0.467477 trlgG= -0.587636 logG= -0.057789 TDE= -0.342000 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010081 tlogG= -0.047593 logG= -0.057673 Density= 0.428624 ETOT(band)= -0.467021 trlgG= -0.586026 logG= -0.057673 TDE= -0.341696 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010851 tlogG= -0.047723 logG= -0.058574 Density= 0.431073 ETOT(band)= -0.467041 trlgG= -0.588527 logG= -0.058574 TDE= -0.342514 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.046435 logG= -0.056452 Density= 0.429546 ETOT(band)= -0.465107 trlgG= -0.581341 logG= -0.056452 TDE= -0.341078 logGD-logG0= -0.010398 tlogG= -0.046968 logG= -0.057367 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429884 ETOT(band)= -0.466030 trlgG= -0.584031 logG= -0.057367 TDE= -0.341360 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010797 tlogG= -0.047308 logG= -0.058105 Density= 0.430472 ETOT(band)= -0.466666 trlgG= -0.586690 logG= -0.058105 TDE= -0.342024 logGD-logG0= -0.005124 tlogG= -0.021901 logG= -0.027025 Density= 0.216616 ETOT(band)= -0.230082 trlgG= -0.286423 logG= -0.027025 TDE= -0.170104 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010776 tlogG= -0.048047 logG= -0.058824 Density= 0.431308 ETOT(band)= -0.467327 trlgG= -0.589521 logG= -0.058824 TDE= -0.342779 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010323 tlogG= -0.047608 logG= -0.057931 Density= 0.430007 ETOT(band)= -0.466679 trlgG= -0.585960 logG= -0.057931 TDE= -0.341804 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.022346 logG= -0.027226 Density= 0.322879 ETOT(band)= -0.347651 trlgG= -0.433886 logG= -0.027226 TDE= -0.170123 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005036 tlogG= -0.021373 logG= -0.026409 Density= 0.217006 ETOT(band)= -0.228980 trlgG= -0.284226 logG= -0.026409 TDE= -0.169773 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010056 tlogG= -0.044662 logG= -0.054718 Density= 0.324277 ETOT(band)= -0.346362 trlgG= -0.431850 logG= -0.054718 TDE= -0.340531 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001708 tlogG= -0.007124 logG= -0.008832 Density= 0.072227 ETOT(band)= -0.076412 trlgG= -0.094821 logG= -0.008832 TDE= -0.056582 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004993 tlogG= -0.022309 logG= -0.027302 Density= 0.214278 ETOT(band)= -0.232207 trlgG= -0.289345 logG= -0.027302 TDE= -0.170040 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004962 tlogG= -0.022489 logG= -0.027451 Density= 0.215033 ETOT(band)= -0.231440 trlgG= -0.287959 logG= -0.027451 TDE= -0.170054 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.021228 logG= -0.026223 Density= 0.216340 ETOT(band)= -0.229832 trlgG= -0.285472 logG= -0.026223 TDE= -0.169680 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.022923 logG= -0.027933 Density= 0.214807 ETOT(band)= -0.232174 trlgG= -0.289600 logG= -0.027933 TDE= -0.170306 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.044661 logG= -0.054568 Density= 0.431607 ETOT(band)= -0.461655 trlgG= -0.574587 logG= -0.054568 TDE= -0.340164 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.509868040885 eV TrLogG= -407.144896832934 eV Ratio to renormalize= 1.000023236227 rho-rho_expected=-0.000511185107 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964354585530767 0.939815211279237 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001502 tlogG= -0.007816 logG= -0.009318 Density= 0.035497 ETOT(band)= -0.038882 trlgG= -0.048586 logG= -0.009318 TDE= -0.056834 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004367 tlogG= -0.024066 logG= -0.028433 Density= 0.106134 ETOT(band)= -0.117032 trlgG= -0.146722 logG= -0.028433 TDE= -0.170809 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.023006 logG= -0.027763 Density= 0.106883 ETOT(band)= -0.116367 trlgG= -0.145147 logG= -0.027763 TDE= -0.170275 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001707 tlogG= -0.007310 logG= -0.009017 Density= 0.035845 ETOT(band)= -0.038538 trlgG= -0.047894 logG= -0.009017 TDE= -0.056615 logGD-logG0= -0.001641 tlogG= -0.006999 logG= -0.008640 Density= 0.036193 ETOT(band)= -0.038093 trlgG= -0.047239 logG= -0.008640 TDE= -0.056508 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004952 tlogG= -0.021588 logG= -0.026540 logGD-logG0= -0.004872 tlogG= -0.021013 logG= -0.025885 Density= 0.108699 ETOT(band)= -0.114192 trlgG= -0.141641 logG= -0.025885 TDE= -0.169545 Density= 0.108505 ETOT(band)= -0.114777 trlgG= -0.142794 logG= -0.026540 TDE= -0.169948 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.021714 logG= -0.026775 Density= 0.107931 ETOT(band)= -0.115233 trlgG= -0.143217 logG= -0.026775 TDE= -0.169852 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001051 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005851 logG= -0.001051 TDE= -0.007048 logGD-logG0= -0.002627 tlogG= -0.012041 logG= -0.014668 logGD-logG0= -0.002445 tlogG= -0.012090 logG= -0.014535 Density= 0.053585 ETOT(band)= -0.058486 trlgG= -0.073600 logG= -0.014535 TDE= -0.085582 Density= 0.053761 ETOT(band)= -0.058477 trlgG= -0.073658 logG= -0.014668 TDE= -0.085594 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002357 tlogG= -0.011457 logG= -0.013814 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053738 ETOT(band)= -0.058013 trlgG= -0.072476 logG= -0.013814 TDE= -0.085254 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.008049 logG= -0.009469 logGD-logG0= -0.002349 tlogG= -0.011892 logG= -0.014241 Density= 0.035319 ETOT(band)= -0.039031 trlgG= -0.048949 logG= -0.009469 TDE= -0.056957 Density= 0.053564 ETOT(band)= -0.058342 trlgG= -0.073238 logG= -0.014241 TDE= -0.085503 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023449 logG= -0.028646 Density= 0.108122 ETOT(band)= -0.116275 trlgG= -0.146244 logG= -0.028646 TDE= -0.171102 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002586 tlogG= -0.011993 logG= -0.014578 logGD-logG0= -0.005203 tlogG= -0.023781 logG= -0.028985 Density= 0.054131 ETOT(band)= -0.058245 trlgG= -0.073528 logG= -0.014578 TDE= -0.085736 Density= 0.108167 ETOT(band)= -0.116438 trlgG= -0.146780 logG= -0.028985 TDE= -0.171322 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002654 tlogG= -0.011996 logG= -0.014650 Density= 0.053979 ETOT(band)= -0.058364 trlgG= -0.073646 logG= -0.014650 TDE= -0.085707 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.022479 logG= -0.027563 logGD-logG0= -0.005326 tlogG= -0.024091 logG= -0.029417 Density= 0.108197 ETOT(band)= -0.115631 trlgG= -0.144524 logG= -0.027563 TDE= -0.170502 Density= 0.107638 ETOT(band)= -0.116958 trlgG= -0.147463 logG= -0.029417 TDE= -0.171310 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023968 logG= -0.029158 Density= 0.108217 ETOT(band)= -0.116513 trlgG= -0.147059 logG= -0.029158 TDE= -0.171452 logGD-logG0= -0.005154 tlogG= -0.023002 logG= -0.028156 logGD-logG0= -0.004394 tlogG= -0.023989 logG= -0.028383 logGD-logG0= -0.005002 tlogG= -0.022192 logG= -0.027194 Density= 0.108351 ETOT(band)= -0.115327 trlgG= -0.143919 logG= -0.027194 TDE= -0.170342 Density= 0.108127 ETOT(band)= -0.116004 trlgG= -0.145470 logG= -0.028156 TDE= -0.170820 Density= 0.106186 ETOT(band)= -0.116989 trlgG= -0.146609 logG= -0.028383 TDE= -0.170772 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.024102 logG= -0.029444 Density= 0.107880 ETOT(band)= -0.116869 trlgG= -0.147530 logG= -0.029444 TDE= -0.171471 logGD-logG0= -0.004878 tlogG= -0.023707 logG= -0.028585 Density= 0.107379 ETOT(band)= -0.116608 trlgG= -0.146346 logG= -0.028585 TDE= -0.170897 logGD-logG0= -0.004670 tlogG= -0.023221 logG= -0.027892 logGD-logG0= -0.005178 tlogG= -0.023889 logG= -0.029067 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.024148 logG= -0.029522 Density= 0.108237 ETOT(band)= -0.116449 trlgG= -0.146911 logG= -0.029067 TDE= -0.171405 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107803 ETOT(band)= -0.116955 trlgG= -0.147654 logG= -0.029522 TDE= -0.171478 Density= 0.106748 ETOT(band)= -0.116497 trlgG= -0.145409 logG= -0.027892 TDE= -0.170342 logGD-logG0= -0.005148 tlogG= -0.023235 logG= -0.028383 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108185 ETOT(band)= -0.116099 trlgG= -0.145826 logG= -0.028383 TDE= -0.170979 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023924 logG= -0.029282 logGD-logG0= -0.005179 tlogG= -0.023624 logG= -0.028803 Density= 0.108193 ETOT(band)= -0.116323 trlgG= -0.146489 logG= -0.028803 TDE= -0.171226 Density= 0.107746 ETOT(band)= -0.116825 trlgG= -0.147250 logG= -0.029282 TDE= -0.171286 logGD-logG0= -0.005042 tlogG= -0.023664 logG= -0.028706 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.024063 logG= -0.028652 Density= 0.106401 ETOT(band)= -0.117024 trlgG= -0.146737 logG= -0.028652 TDE= -0.170737 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023702 logG= -0.029036 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.023687 logG= -0.028411 Density= 0.106609 ETOT(band)= -0.116833 trlgG= -0.146320 logG= -0.028411 TDE= -0.170664 logGD-logG0= -0.005081 tlogG= -0.022755 logG= -0.027836 Density= 0.108240 ETOT(band)= -0.115769 trlgG= -0.144960 logG= -0.027836 TDE= -0.170687 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107233 ETOT(band)= -0.116886 trlgG= -0.146790 logG= -0.029036 TDE= -0.170817 Density= 0.106984 ETOT(band)= -0.116811 trlgG= -0.146237 logG= -0.028706 TDE= -0.170472 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022869 logG= -0.027782 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107746 ETOT(band)= -0.115981 trlgG= -0.144882 logG= -0.027782 TDE= -0.170418 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.022896 logG= -0.028054 logGD-logG0= -0.004946 tlogG= -0.023914 logG= -0.028860 logGD-logG0= -0.004780 tlogG= -0.023518 logG= -0.028298 Density= 0.106783 ETOT(band)= -0.116689 trlgG= -0.145896 logG= -0.028298 TDE= -0.170439 Density= 0.107616 ETOT(band)= -0.116185 trlgG= -0.145291 logG= -0.028054 TDE= -0.170490 logGD-logG0= -0.005041 tlogG= -0.024111 logG= -0.029152 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.022428 logG= -0.027489 Density= 0.107636 ETOT(band)= -0.115851 trlgG= -0.144396 logG= -0.027489 TDE= -0.170171 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106764 ETOT(band)= -0.116990 trlgG= -0.146849 logG= -0.028860 TDE= -0.170822 Density= 0.107378 ETOT(band)= -0.116919 trlgG= -0.147088 logG= -0.029152 TDE= -0.171071 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.024085 logG= -0.029015 Density= 0.107059 ETOT(band)= -0.116976 trlgG= -0.147108 logG= -0.029015 TDE= -0.171072 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023886 logG= -0.029214 logGD-logG0= -0.005278 tlogG= -0.023985 logG= -0.029263 Density= 0.107442 ETOT(band)= -0.116941 trlgG= -0.147187 logG= -0.029263 TDE= -0.171092 logGD-logG0= -0.004790 tlogG= -0.022870 logG= -0.027660 Density= 0.107908 ETOT(band)= -0.116696 trlgG= -0.147147 logG= -0.029214 TDE= -0.171332 Density= 0.107302 ETOT(band)= -0.116120 trlgG= -0.145002 logG= -0.027660 TDE= -0.170440 logGD-logG0= -0.005348 tlogG= -0.023219 logG= -0.028566 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023703 logG= -0.028460 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107680 ETOT(band)= -0.116434 trlgG= -0.146100 logG= -0.028566 TDE= -0.170820 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106982 ETOT(band)= -0.116721 trlgG= -0.146430 logG= -0.028460 TDE= -0.170910 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009881 tlogG= -0.048278 logG= -0.058159 Density= 0.214405 ETOT(band)= -0.233914 trlgG= -0.294295 logG= -0.058159 TDE= -0.342235 logGD-logG0= -0.005316 tlogG= -0.024074 logG= -0.029391 Density= 0.107938 ETOT(band)= -0.116802 trlgG= -0.147443 logG= -0.029391 TDE= -0.171466 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009199 tlogG= -0.047665 logG= -0.056864 Density= 0.212952 ETOT(band)= -0.233786 trlgG= -0.292776 logG= -0.056864 TDE= -0.341290 logGD-logG0= -0.009746 tlogG= -0.047193 logG= -0.056939 logGD-logG0= -0.005364 tlogG= -0.023596 logG= -0.028960 Density= 0.213782 ETOT(band)= -0.233498 trlgG= -0.292710 logG= -0.056939 TDE= -0.341561 logGD-logG0= -0.009570 tlogG= -0.045797 logG= -0.055367 Density= 0.215023 ETOT(band)= -0.232079 trlgG= -0.289911 logG= -0.055367 TDE= -0.340947 Density= 0.107794 ETOT(band)= -0.116598 trlgG= -0.146731 logG= -0.028960 TDE= -0.171113 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009848 tlogG= -0.045626 logG= -0.055474 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214377 ETOT(band)= -0.232420 trlgG= -0.290080 logG= -0.055474 TDE= -0.340690 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009899 tlogG= -0.047195 logG= -0.057095 Density= 0.213793 ETOT(band)= -0.233543 trlgG= -0.292503 logG= -0.057095 TDE= -0.341204 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009624 tlogG= -0.047970 logG= -0.057594 logGD-logG0= -0.009520 tlogG= -0.047482 logG= -0.057002 logGD-logG0= -0.010026 tlogG= -0.047934 logG= -0.057959 Density= 0.213978 ETOT(band)= -0.233947 trlgG= -0.293977 logG= -0.057959 TDE= -0.341905 Density= 0.213292 ETOT(band)= -0.234001 trlgG= -0.293418 logG= -0.057594 TDE= -0.341371 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214319 ETOT(band)= -0.233336 trlgG= -0.292848 logG= -0.057002 TDE= -0.341902 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048020 logG= -0.058423 logGD-logG0= -0.010601 tlogG= -0.047784 logG= -0.058386 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215068 ETOT(band)= -0.233756 trlgG= -0.294224 logG= -0.058423 TDE= -0.342228 Density= 0.214756 ETOT(band)= -0.233844 trlgG= -0.294126 logG= -0.058386 TDE= -0.342012 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.010438 logG= -0.012866 logGD-logG0= -0.010704 tlogG= -0.047562 logG= -0.058266 Density= 0.054372 ETOT(band)= -0.057023 trlgG= -0.070681 logG= -0.012866 TDE= -0.084722 Density= 0.215688 ETOT(band)= -0.233357 trlgG= -0.294024 logG= -0.058266 TDE= -0.342491 logGD-logG0= -0.010557 tlogG= -0.048120 logG= -0.058677 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215065 ETOT(band)= -0.233901 trlgG= -0.294640 logG= -0.058677 TDE= -0.342389 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.047825 logG= -0.058289 Density= 0.214657 ETOT(band)= -0.233836 trlgG= -0.293955 logG= -0.058289 TDE= -0.341889 logGD-logG0= -0.010636 tlogG= -0.048055 logG= -0.058692 Density= 0.215101 ETOT(band)= -0.233893 trlgG= -0.294668 logG= -0.058692 TDE= -0.342419 logGD-logG0= -0.010260 tlogG= -0.047699 logG= -0.057960 logGD-logG0= -0.010631 tlogG= -0.047974 logG= -0.058605 Density= 0.213959 ETOT(band)= -0.233934 trlgG= -0.293730 logG= -0.057960 TDE= -0.341648 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010149 tlogG= -0.048065 logG= -0.058214 Density= 0.214534 ETOT(band)= -0.233863 trlgG= -0.294048 logG= -0.058214 TDE= -0.341995 Density= 0.215881 ETOT(band)= -0.233476 trlgG= -0.294588 logG= -0.058605 TDE= -0.342812 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.047352 logG= -0.057837 logGD-logG0= -0.009952 tlogG= -0.045689 logG= -0.055641 Density= 0.214269 ETOT(band)= -0.233731 trlgG= -0.293208 logG= -0.057837 TDE= -0.341401 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.046454 logG= -0.056717 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002489 tlogG= -0.010851 logG= -0.013339 Density= 0.054061 ETOT(band)= -0.057537 trlgG= -0.071523 logG= -0.013339 TDE= -0.084936 Density= 0.215215 ETOT(band)= -0.232722 trlgG= -0.291535 logG= -0.056717 TDE= -0.341318 Density= 0.215153 ETOT(band)= -0.232157 trlgG= -0.289905 logG= -0.055641 TDE= -0.340733 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.047467 logG= -0.058123 Density= 0.215459 ETOT(band)= -0.233394 trlgG= -0.293780 logG= -0.058123 TDE= -0.342276 logGD-logG0= -0.001447 tlogG= -0.007970 logG= -0.009417 Density= 0.070878 ETOT(band)= -0.077864 trlgG= -0.097414 logG= -0.009417 TDE= -0.056919 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010685 tlogG= -0.047922 logG= -0.058607 Density= 0.215754 ETOT(band)= -0.233546 trlgG= -0.294588 logG= -0.058607 TDE= -0.342747 logGD-logG0= -0.010748 tlogG= -0.048188 logG= -0.058936 logGD-logG0= -0.009874 tlogG= -0.047261 logG= -0.057135 Density= 0.215413 ETOT(band)= -0.233922 trlgG= -0.295108 logG= -0.058936 TDE= -0.342769 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.046924 logG= -0.057623 Density= 0.214483 ETOT(band)= -0.233300 trlgG= -0.292625 logG= -0.057135 TDE= -0.341627 Density= 0.215423 ETOT(band)= -0.233116 trlgG= -0.292980 logG= -0.057623 TDE= -0.341959 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010174 tlogG= -0.047193 logG= -0.057367 Density= 0.215148 ETOT(band)= -0.233123 trlgG= -0.292550 logG= -0.057367 TDE= -0.341649 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021898 logG= -0.026935 Density= 0.108317 ETOT(band)= -0.115142 trlgG= -0.143470 logG= -0.026935 TDE= -0.170136 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001587 tlogG= -0.007593 logG= -0.009181 Density= 0.071502 ETOT(band)= -0.077271 trlgG= -0.096124 logG= -0.009181 TDE= -0.056694 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004341 tlogG= -0.024146 logG= -0.028487 Density= 0.212207 ETOT(band)= -0.234113 trlgG= -0.293567 logG= -0.028487 TDE= -0.170848 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.021837 logG= -0.026956 Density= 0.107790 ETOT(band)= -0.115424 trlgG= -0.143524 logG= -0.026956 TDE= -0.169908 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010115 tlogG= -0.043430 logG= -0.053545 Density= 0.216271 ETOT(band)= -0.230261 trlgG= -0.286416 logG= -0.053545 TDE= -0.339892 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001708 tlogG= -0.007124 logG= -0.008833 Density= 0.072226 ETOT(band)= -0.076412 trlgG= -0.094822 logG= -0.008833 TDE= -0.056582 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004993 tlogG= -0.022310 logG= -0.027304 Density= 0.214278 ETOT(band)= -0.232207 trlgG= -0.289346 logG= -0.027304 TDE= -0.170040 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005125 tlogG= -0.021901 logG= -0.027026 Density= 0.216615 ETOT(band)= -0.230083 trlgG= -0.286425 logG= -0.027026 TDE= -0.170103 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005036 tlogG= -0.021374 logG= -0.026410 Density= 0.217005 ETOT(band)= -0.228980 trlgG= -0.284228 logG= -0.026410 TDE= -0.169773 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021229 logG= -0.026224 Density= 0.216339 ETOT(band)= -0.229832 trlgG= -0.285475 logG= -0.026224 TDE= -0.169680 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005625 logG= -0.006874 Density= 0.080837 ETOT(band)= -0.086887 trlgG= -0.108579 logG= -0.006874 TDE= -0.042639 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005753 logG= -0.007023 Density= 0.080636 ETOT(band)= -0.087314 trlgG= -0.109579 logG= -0.007023 TDE= -0.042715 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.022461 logG= -0.027623 Density= 0.216359 ETOT(band)= -0.231080 trlgG= -0.288536 logG= -0.027623 TDE= -0.170442 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023852 logG= -0.028729 Density= 0.213589 ETOT(band)= -0.233907 trlgG= -0.293635 logG= -0.028729 TDE= -0.170919 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024023 logG= -0.028806 Density= 0.214129 ETOT(band)= -0.233852 trlgG= -0.294032 logG= -0.028806 TDE= -0.171102 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023216 logG= -0.028425 Density= 0.214872 ETOT(band)= -0.232731 trlgG= -0.291129 logG= -0.028425 TDE= -0.170489 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005474 tlogG= -0.023377 logG= -0.028852 Density= 0.215105 ETOT(band)= -0.233134 trlgG= -0.292625 logG= -0.028852 TDE= -0.170832 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005474 logG= -0.006710 Density= 0.081196 ETOT(band)= -0.086278 trlgG= -0.107347 logG= -0.006710 TDE= -0.042542 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001285 tlogG= -0.005860 logG= -0.007145 Density= 0.080647 ETOT(band)= -0.087530 trlgG= -0.110134 logG= -0.007145 TDE= -0.042780 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005988 logG= -0.007276 logGD-logG0= -0.001289 tlogG= -0.005944 logG= -0.007233 Density= 0.080828 ETOT(band)= -0.087567 trlgG= -0.110332 logG= -0.007233 TDE= -0.042834 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081054 ETOT(band)= -0.087474 trlgG= -0.110388 logG= -0.007276 TDE= -0.042864 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023433 logG= -0.028687 logGD-logG0= -0.005121 tlogG= -0.023974 logG= -0.029094 Density= 0.214345 ETOT(band)= -0.233865 trlgG= -0.293814 logG= -0.029094 TDE= -0.170935 logGD-logG0= -0.005225 tlogG= -0.022987 logG= -0.028212 Density= 0.216213 ETOT(band)= -0.231877 trlgG= -0.290517 logG= -0.028212 TDE= -0.170775 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216183 ETOT(band)= -0.232452 trlgG= -0.292132 logG= -0.028687 TDE= -0.171061 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.023903 logG= -0.028858 Density= 0.213802 ETOT(band)= -0.233772 trlgG= -0.292899 logG= -0.028858 TDE= -0.170663 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.023261 logG= -0.028087 Density= 0.213520 ETOT(band)= -0.233372 trlgG= -0.292118 logG= -0.028087 TDE= -0.170616 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.024018 logG= -0.029290 Density= 0.215673 ETOT(band)= -0.233645 trlgG= -0.294740 logG= -0.029290 TDE= -0.171448 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004617 tlogG= -0.023990 logG= -0.028607 Density= 0.212834 ETOT(band)= -0.234020 trlgG= -0.293379 logG= -0.028607 TDE= -0.170705 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023505 logG= -0.028798 Density= 0.215211 ETOT(band)= -0.233109 trlgG= -0.292823 logG= -0.028798 TDE= -0.171039 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024016 logG= -0.029253 Density= 0.216334 ETOT(band)= -0.233137 trlgG= -0.294276 logG= -0.029253 TDE= -0.171466 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023816 logG= -0.029122 Density= 0.215326 ETOT(band)= -0.233546 trlgG= -0.294087 logG= -0.029122 TDE= -0.171296 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023388 logG= -0.028083 Density= 0.214195 ETOT(band)= -0.233139 trlgG= -0.292240 logG= -0.028083 TDE= -0.170781 logGD-logG0= -0.005117 tlogG= -0.023865 logG= -0.028982 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004815 tlogG= -0.024023 logG= -0.028838 Density= 0.215486 ETOT(band)= -0.233544 trlgG= -0.294187 logG= -0.028982 TDE= -0.170982 Density= 0.321572 ETOT(band)= -0.350763 trlgG= -0.441199 logG= -0.028838 TDE= -0.171097 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.024137 logG= -0.029502 Density= 0.215704 ETOT(band)= -0.233801 trlgG= -0.295154 logG= -0.029502 TDE= -0.171479 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010546 tlogG= -0.047270 logG= -0.057817 logGD-logG0= -0.010502 tlogG= -0.047820 logG= -0.058322 Density= 0.324322 ETOT(band)= -0.349608 trlgG= -0.440910 logG= -0.058322 TDE= -0.342773 Density= 0.324109 ETOT(band)= -0.349237 trlgG= -0.439560 logG= -0.057817 TDE= -0.342381 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023974 logG= -0.029203 Density= 0.216368 ETOT(band)= -0.233033 trlgG= -0.294045 logG= -0.029203 TDE= -0.171440 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.023779 logG= -0.029028 Density= 0.216260 ETOT(band)= -0.232834 trlgG= -0.293339 logG= -0.029028 TDE= -0.171299 logGD-logG0= -0.010261 tlogG= -0.045674 logG= -0.055935 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.024180 logG= -0.029267 Density= 0.324032 ETOT(band)= -0.347632 trlgG= -0.434857 logG= -0.055935 TDE= -0.341205 logGD-logG0= -0.010777 tlogG= -0.048078 logG= -0.058855 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323230 ETOT(band)= -0.350664 trlgG= -0.442232 logG= -0.058855 TDE= -0.342760 Density= 0.322435 ETOT(band)= -0.350889 trlgG= -0.441880 logG= -0.029267 TDE= -0.171104 logGD-logG0= -0.004531 tlogG= -0.023602 logG= -0.028133 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004643 tlogG= -0.023907 logG= -0.028550 Density= 0.213304 ETOT(band)= -0.233616 trlgG= -0.292391 logG= -0.028550 TDE= -0.170656 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212651 ETOT(band)= -0.233738 trlgG= -0.292624 logG= -0.028133 TDE= -0.170566 logGD-logG0= -0.004475 tlogG= -0.023755 logG= -0.028230 logGD-logG0= -0.004727 tlogG= -0.023385 logG= -0.028113 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321647 ETOT(band)= -0.349714 trlgG= -0.438622 logG= -0.028113 TDE= -0.170773 Density= 0.213115 ETOT(band)= -0.233337 trlgG= -0.291654 logG= -0.028230 TDE= -0.170651 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005413 tlogG= -0.023913 logG= -0.029327 Density= 0.215634 ETOT(band)= -0.233548 trlgG= -0.294469 logG= -0.029327 TDE= -0.171303 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001198 tlogG= -0.005177 logG= -0.006376 Density= 0.062544 ETOT(band)= -0.067477 trlgG= -0.084182 logG= -0.006376 TDE= -0.042330 logGD-logG0= -0.005290 tlogG= -0.024104 logG= -0.029395 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010540 tlogG= -0.046452 logG= -0.056993 Density= 0.323047 ETOT(band)= -0.350869 trlgG= -0.442532 logG= -0.029395 TDE= -0.171292 Density= 0.323979 ETOT(band)= -0.348578 trlgG= -0.437474 logG= -0.056993 TDE= -0.341826 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.023265 logG= -0.028337 logGD-logG0= -0.005398 tlogG= -0.023973 logG= -0.029371 Density= 0.321710 ETOT(band)= -0.350224 trlgG= -0.439473 logG= -0.028337 TDE= -0.170727 Density= 0.323640 ETOT(band)= -0.350343 trlgG= -0.441986 logG= -0.029371 TDE= -0.171351 logGD-logG0= -0.001597 tlogG= -0.006882 logG= -0.008480 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040843 ETOT(band)= -0.042638 trlgG= -0.052791 logG= -0.008480 TDE= -0.056423 logGD-logG0= -0.009769 tlogG= -0.046643 logG= -0.056412 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322708 ETOT(band)= -0.348683 trlgG= -0.436278 logG= -0.056412 TDE= -0.341358 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009037 tlogG= -0.048129 logG= -0.057166 Density= 0.425589 ETOT(band)= -0.467837 trlgG= -0.586241 logG= -0.057166 TDE= -0.341523 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005461 tlogG= -0.023700 logG= -0.029160 Density= 0.215400 ETOT(band)= -0.233397 trlgG= -0.293768 logG= -0.029160 TDE= -0.171125 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.022924 logG= -0.027934 Density= 0.214806 ETOT(band)= -0.232174 trlgG= -0.289602 logG= -0.027934 TDE= -0.170305 logGD-logG0= -0.009726 tlogG= -0.047873 logG= -0.057599 Density= 0.428056 ETOT(band)= -0.467687 trlgG= -0.587648 logG= -0.057599 TDE= -0.342009 logGD-logG0= -0.009531 tlogG= -0.046748 logG= -0.056279 Density= 0.427929 ETOT(band)= -0.465655 trlgG= -0.581644 logG= -0.056279 TDE= -0.340962 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010229 tlogG= -0.048184 logG= -0.058413 Density= 0.429301 ETOT(band)= -0.467817 trlgG= -0.588428 logG= -0.058413 TDE= -0.342057 logGD-logG0= -0.010335 tlogG= -0.047706 logG= -0.058041 Density= 0.428307 ETOT(band)= -0.467675 trlgG= -0.586981 logG= -0.058041 TDE= -0.341649 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009590 tlogG= -0.046642 logG= -0.056232 Density= 0.428124 ETOT(band)= -0.466382 trlgG= -0.584255 logG= -0.056232 TDE= -0.341380 logGD-logG0= -0.010570 tlogG= -0.048111 logG= -0.058681 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430132 ETOT(band)= -0.467662 trlgG= -0.588869 logG= -0.058681 TDE= -0.342388 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004841 tlogG= -0.022345 logG= -0.027186 Density= 0.215035 ETOT(band)= -0.231729 trlgG= -0.289004 logG= -0.027186 TDE= -0.170127 logGD-logG0= -0.010852 tlogG= -0.047724 logG= -0.058576 Density= 0.431070 ETOT(band)= -0.467043 trlgG= -0.588532 logG= -0.058576 TDE= -0.342514 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.021325 logG= -0.026278 Density= 0.162635 ETOT(band)= -0.172837 trlgG= -0.215873 logG= -0.026278 TDE= -0.169760 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010361 tlogG= -0.048259 logG= -0.058620 logGD-logG0= -0.009680 tlogG= -0.047809 logG= -0.057488 Density= 0.430027 ETOT(band)= -0.467831 trlgG= -0.589195 logG= -0.058620 TDE= -0.342263 logGD-logG0= -0.009725 tlogG= -0.047690 logG= -0.057416 Density= 0.426709 ETOT(band)= -0.467881 trlgG= -0.586761 logG= -0.057416 TDE= -0.341537 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427210 ETOT(band)= -0.467437 trlgG= -0.585623 logG= -0.057488 TDE= -0.341240 logGD-logG0= -0.010397 tlogG= -0.047993 logG= -0.058390 logGD-logG0= -0.010738 tlogG= -0.047771 logG= -0.058509 Density= 0.430734 ETOT(band)= -0.467094 trlgG= -0.588167 logG= -0.058509 TDE= -0.342407 logGD-logG0= -0.005061 tlogG= -0.024174 logG= -0.029235 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429206 ETOT(band)= -0.467778 trlgG= -0.588066 logG= -0.058390 TDE= -0.341891 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214740 ETOT(band)= -0.233943 trlgG= -0.294435 logG= -0.029235 TDE= -0.171108 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.047890 logG= -0.057791 Density= 0.429140 ETOT(band)= -0.467478 trlgG= -0.587640 logG= -0.057791 TDE= -0.341999 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010399 tlogG= -0.046970 logG= -0.057369 Density= 0.429882 ETOT(band)= -0.466031 trlgG= -0.584036 logG= -0.057369 TDE= -0.341360 logGD-logG0= -0.010017 tlogG= -0.046437 logG= -0.056454 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429545 ETOT(band)= -0.465107 trlgG= -0.581345 logG= -0.056454 TDE= -0.341077 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010777 tlogG= -0.048049 logG= -0.058826 Density= 0.431306 ETOT(band)= -0.467328 trlgG= -0.589526 logG= -0.058826 TDE= -0.342778 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010081 tlogG= -0.047594 logG= -0.057675 Density= 0.428622 ETOT(band)= -0.467022 trlgG= -0.586029 logG= -0.057675 TDE= -0.341696 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010797 tlogG= -0.047310 logG= -0.058107 Density= 0.430470 ETOT(band)= -0.466666 trlgG= -0.586694 logG= -0.058107 TDE= -0.342023 logGD-logG0= -0.010324 tlogG= -0.047609 logG= -0.057933 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430005 ETOT(band)= -0.466680 trlgG= -0.585964 logG= -0.057933 TDE= -0.341803 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001217 tlogG= -0.005313 logG= -0.006530 Density= 0.081550 ETOT(band)= -0.085615 trlgG= -0.106193 logG= -0.006530 TDE= -0.042431 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004881 tlogG= -0.022347 logG= -0.027228 Density= 0.322878 ETOT(band)= -0.347651 trlgG= -0.433889 logG= -0.027228 TDE= -0.170123 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010056 tlogG= -0.044664 logG= -0.054720 Density= 0.324276 ETOT(band)= -0.346363 trlgG= -0.431853 logG= -0.054720 TDE= -0.340530 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.022490 logG= -0.027452 Density= 0.215032 ETOT(band)= -0.231440 trlgG= -0.287961 logG= -0.027452 TDE= -0.170053 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.044663 logG= -0.054570 Density= 0.431605 ETOT(band)= -0.461656 trlgG= -0.574591 logG= -0.054570 TDE= -0.340164 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.510365142495 eV TrLogG= -407.146945923718 eV Ratio to renormalize= 1.000027353017 rho-rho_expected=-0.000601749915 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 70) Finished k-point number 142 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 73) Finished k-point number 148 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964386436915434 0.939880837890546 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002626 tlogG= -0.012044 logG= -0.014670 Density= 0.053764 ETOT(band)= -0.058484 trlgG= -0.073668 logG= -0.014670 TDE= -0.085603 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001501 tlogG= -0.007818 logG= -0.009319 Density= 0.035498 ETOT(band)= -0.038887 trlgG= -0.048593 logG= -0.009319 TDE= -0.056840 logGD-logG0= -0.001420 tlogG= -0.008051 logG= -0.009471 Density= 0.035320 ETOT(band)= -0.039036 trlgG= -0.048955 logG= -0.009471 TDE= -0.056963 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.011996 logG= -0.014580 Density= 0.054134 ETOT(band)= -0.058251 trlgG= -0.073537 logG= -0.014580 TDE= -0.085745 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004393 tlogG= -0.023995 logG= -0.028388 Density= 0.106189 ETOT(band)= -0.117003 trlgG= -0.146630 logG= -0.028388 TDE= -0.170789 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023631 logG= -0.028807 Density= 0.108198 ETOT(band)= -0.116335 trlgG= -0.146508 logG= -0.028807 TDE= -0.171243 logGD-logG0= -0.005059 tlogG= -0.022434 logG= -0.027493 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107640 ETOT(band)= -0.115864 trlgG= -0.144415 logG= -0.027493 TDE= -0.170188 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002348 tlogG= -0.011895 logG= -0.014244 Density= 0.053565 ETOT(band)= -0.058348 trlgG= -0.073248 logG= -0.014244 TDE= -0.085511 logGD-logG0= -0.009899 tlogG= -0.047205 logG= -0.057104 Density= 0.213800 ETOT(band)= -0.233570 trlgG= -0.292543 logG= -0.057104 TDE= -0.341239 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009198 tlogG= -0.047676 logG= -0.056874 Density= 0.212958 ETOT(band)= -0.233814 trlgG= -0.292815 logG= -0.056874 TDE= -0.341324 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009623 tlogG= -0.047980 logG= -0.057603 Density= 0.213299 ETOT(band)= -0.234029 trlgG= -0.293459 logG= -0.057603 TDE= -0.341406 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.010441 logG= -0.012868 Density= 0.054375 ETOT(band)= -0.057030 trlgG= -0.070690 logG= -0.012868 TDE= -0.084730 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001640 tlogG= -0.007002 logG= -0.008641 Density= 0.036194 ETOT(band)= -0.038098 trlgG= -0.047244 logG= -0.008641 TDE= -0.056514 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001052 Density= 0.004543 ETOT(band)= -0.004730 trlgG= -0.005852 logG= -0.001052 TDE= -0.007048 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.012093 logG= -0.014537 Density= 0.053587 ETOT(band)= -0.058493 trlgG= -0.073610 logG= -0.014537 TDE= -0.085591 logGD-logG0= -0.005035 tlogG= -0.021904 logG= -0.026939 Density= 0.108321 ETOT(band)= -0.115154 trlgG= -0.143489 logG= -0.026939 TDE= -0.170152 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002356 tlogG= -0.011460 logG= -0.013816 Density= 0.053740 ETOT(band)= -0.058019 trlgG= -0.072485 logG= -0.013816 TDE= -0.085263 logGD-logG0= -0.005041 tlogG= -0.023669 logG= -0.028710 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106988 ETOT(band)= -0.116824 trlgG= -0.146257 logG= -0.028710 TDE= -0.170490 logGD-logG0= -0.005156 tlogG= -0.022902 logG= -0.028058 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023242 logG= -0.028387 Density= 0.108190 ETOT(band)= -0.116112 trlgG= -0.145845 logG= -0.028387 TDE= -0.170996 Density= 0.107620 ETOT(band)= -0.116198 trlgG= -0.145310 logG= -0.028058 TDE= -0.170508 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.023919 logG= -0.028864 logGD-logG0= -0.004950 tlogG= -0.021594 logG= -0.026544 Density= 0.108510 ETOT(band)= -0.114790 trlgG= -0.142812 logG= -0.026544 TDE= -0.169964 Density= 0.106768 ETOT(band)= -0.117004 trlgG= -0.146869 logG= -0.028864 TDE= -0.170839 logGD-logG0= -0.004755 tlogG= -0.023709 logG= -0.028464 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106985 ETOT(band)= -0.116735 trlgG= -0.146450 logG= -0.028464 TDE= -0.170928 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004788 tlogG= -0.022876 logG= -0.027664 Density= 0.107306 ETOT(band)= -0.116133 trlgG= -0.145021 logG= -0.027664 TDE= -0.170458 logGD-logG0= -0.005082 tlogG= -0.022485 logG= -0.027567 Density= 0.108201 ETOT(band)= -0.115644 trlgG= -0.144543 logG= -0.027567 TDE= -0.170518 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.024097 logG= -0.029422 Density= 0.107642 ETOT(band)= -0.116971 trlgG= -0.147483 logG= -0.029422 TDE= -0.171328 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.023009 logG= -0.028160 Density= 0.108132 ETOT(band)= -0.116017 trlgG= -0.145489 logG= -0.028160 TDE= -0.170837 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023456 logG= -0.028650 logGD-logG0= -0.004877 tlogG= -0.023713 logG= -0.028589 Density= 0.108126 ETOT(band)= -0.116288 trlgG= -0.146263 logG= -0.028650 TDE= -0.171119 Density= 0.107383 ETOT(band)= -0.116621 trlgG= -0.146365 logG= -0.028589 TDE= -0.170914 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.021843 logG= -0.026960 Density= 0.107794 ETOT(band)= -0.115437 trlgG= -0.143543 logG= -0.026960 TDE= -0.169925 logGD-logG0= -0.004366 tlogG= -0.024072 logG= -0.028438 Density= 0.106137 ETOT(band)= -0.117046 trlgG= -0.146742 logG= -0.028438 TDE= -0.170826 logGD-logG0= -0.005188 tlogG= -0.023975 logG= -0.029162 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108222 ETOT(band)= -0.116526 trlgG= -0.147078 logG= -0.029162 TDE= -0.171469 logGD-logG0= -0.005200 tlogG= -0.023789 logG= -0.028989 Density= 0.108172 ETOT(band)= -0.116451 trlgG= -0.146799 logG= -0.028989 TDE= -0.171339 logGD-logG0= -0.005000 tlogG= -0.022198 logG= -0.027198 Density= 0.108356 ETOT(band)= -0.115340 trlgG= -0.143937 logG= -0.027198 TDE= -0.170359 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.024117 logG= -0.029157 logGD-logG0= -0.004669 tlogG= -0.023227 logG= -0.027896 Density= 0.106752 ETOT(band)= -0.116511 trlgG= -0.145429 logG= -0.027896 TDE= -0.170359 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107383 ETOT(band)= -0.116932 trlgG= -0.147107 logG= -0.029157 TDE= -0.171088 logGD-logG0= -0.004588 tlogG= -0.024068 logG= -0.028657 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106404 ETOT(band)= -0.117039 trlgG= -0.146756 logG= -0.028657 TDE= -0.170754 logGD-logG0= -0.002653 tlogG= -0.011999 logG= -0.014652 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.022875 logG= -0.027786 Density= 0.107751 ETOT(band)= -0.115995 trlgG= -0.144901 logG= -0.027786 TDE= -0.170435 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053981 ETOT(band)= -0.058370 trlgG= -0.073655 logG= -0.014652 TDE= -0.085716 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023896 logG= -0.029071 Density= 0.108242 ETOT(band)= -0.116462 trlgG= -0.146929 logG= -0.029071 TDE= -0.171422 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023708 logG= -0.029041 Density= 0.107237 ETOT(band)= -0.116899 trlgG= -0.146810 logG= -0.029041 TDE= -0.170835 logGD-logG0= -0.005357 tlogG= -0.023929 logG= -0.029286 logGD-logG0= -0.005338 tlogG= -0.024110 logG= -0.029448 Density= 0.107885 ETOT(band)= -0.116882 trlgG= -0.147550 logG= -0.029448 TDE= -0.171489 Density= 0.107750 ETOT(band)= -0.116838 trlgG= -0.147269 logG= -0.029286 TDE= -0.171304 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023991 logG= -0.029267 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107447 ETOT(band)= -0.116954 trlgG= -0.147207 logG= -0.029267 TDE= -0.171110 logGD-logG0= -0.004724 tlogG= -0.023692 logG= -0.028416 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106612 ETOT(band)= -0.116847 trlgG= -0.146340 logG= -0.028416 TDE= -0.170681 logGD-logG0= -0.004756 tlogG= -0.023011 logG= -0.027768 Density= 0.106886 ETOT(band)= -0.116381 trlgG= -0.145167 logG= -0.027768 TDE= -0.170292 logGD-logG0= -0.004780 tlogG= -0.023523 logG= -0.028303 Density= 0.106787 ETOT(band)= -0.116703 trlgG= -0.145915 logG= -0.028303 TDE= -0.170456 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002488 tlogG= -0.010854 logG= -0.013341 Density= 0.054064 ETOT(band)= -0.057543 trlgG= -0.071532 logG= -0.013341 TDE= -0.084944 logGD-logG0= -0.005078 tlogG= -0.022761 logG= -0.027840 Density= 0.108245 ETOT(band)= -0.115782 trlgG= -0.144979 logG= -0.027840 TDE= -0.170704 logGD-logG0= -0.004927 tlogG= -0.024092 logG= -0.029019 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010111 tlogG= -0.043442 logG= -0.053553 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005313 tlogG= -0.024082 logG= -0.029395 Density= 0.107063 ETOT(band)= -0.116990 trlgG= -0.147128 logG= -0.029019 TDE= -0.171089 Density= 0.216279 ETOT(band)= -0.230287 trlgG= -0.286453 logG= -0.053553 TDE= -0.339925 logGD-logG0= -0.005346 tlogG= -0.023224 logG= -0.028571 Density= 0.107943 ETOT(band)= -0.116815 trlgG= -0.147463 logG= -0.029395 TDE= -0.171483 Density= 0.107685 ETOT(band)= -0.116448 trlgG= -0.146120 logG= -0.028571 TDE= -0.170837 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.023894 logG= -0.029218 Density= 0.107913 ETOT(band)= -0.116709 trlgG= -0.147166 logG= -0.029218 TDE= -0.171349 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009877 tlogG= -0.048291 logG= -0.058168 logGD-logG0= -0.009566 tlogG= -0.045809 logG= -0.055376 Density= 0.215031 ETOT(band)= -0.232105 trlgG= -0.289949 logG= -0.055376 TDE= -0.340981 Density= 0.214413 ETOT(band)= -0.233941 trlgG= -0.294334 logG= -0.058168 TDE= -0.342269 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005361 tlogG= -0.023604 logG= -0.028964 logGD-logG0= -0.009844 tlogG= -0.045638 logG= -0.055482 Density= 0.214385 ETOT(band)= -0.232448 trlgG= -0.290119 logG= -0.055482 TDE= -0.340725 Density= 0.107799 ETOT(band)= -0.116611 trlgG= -0.146750 logG= -0.028964 TDE= -0.171130 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010022 tlogG= -0.047946 logG= -0.057968 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213986 ETOT(band)= -0.233974 trlgG= -0.294017 logG= -0.057968 TDE= -0.341939 logGD-logG0= -0.010462 tlogG= -0.047837 logG= -0.058298 logGD-logG0= -0.009742 tlogG= -0.047205 logG= -0.056948 Density= 0.214665 ETOT(band)= -0.233863 trlgG= -0.293995 logG= -0.058298 TDE= -0.341924 Density= 0.213789 ETOT(band)= -0.233526 trlgG= -0.292750 logG= -0.056948 TDE= -0.341596 logGD-logG0= -0.010258 tlogG= -0.047710 logG= -0.057969 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213967 ETOT(band)= -0.233961 trlgG= -0.293769 logG= -0.057969 TDE= -0.341682 logGD-logG0= -0.009516 tlogG= -0.047495 logG= -0.057011 logGD-logG0= -0.010633 tlogG= -0.048067 logG= -0.058700 Density= 0.215111 ETOT(band)= -0.233919 trlgG= -0.294708 logG= -0.058700 TDE= -0.342455 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214327 ETOT(band)= -0.233363 trlgG= -0.292887 logG= -0.057011 TDE= -0.341937 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.048032 logG= -0.058432 Density= 0.215077 ETOT(band)= -0.233783 trlgG= -0.294264 logG= -0.058432 TDE= -0.342263 logGD-logG0= -0.010553 tlogG= -0.048132 logG= -0.058685 Density= 0.215075 ETOT(band)= -0.233928 trlgG= -0.294680 logG= -0.058685 TDE= -0.342425 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010598 tlogG= -0.047796 logG= -0.058395 Density= 0.214765 ETOT(band)= -0.233870 trlgG= -0.294166 logG= -0.058395 TDE= -0.342048 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010698 tlogG= -0.047576 logG= -0.058274 Density= 0.215698 ETOT(band)= -0.233383 trlgG= -0.294062 logG= -0.058274 TDE= -0.342527 logGD-logG0= -0.001707 tlogG= -0.007312 logG= -0.009019 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035847 ETOT(band)= -0.038542 trlgG= -0.047900 logG= -0.009019 TDE= -0.056620 logGD-logG0= -0.009949 tlogG= -0.045700 logG= -0.055649 Density= 0.215161 ETOT(band)= -0.232183 trlgG= -0.289943 logG= -0.055649 TDE= -0.340767 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047362 logG= -0.057846 logGD-logG0= -0.009871 tlogG= -0.047273 logG= -0.057144 Density= 0.214277 ETOT(band)= -0.233758 trlgG= -0.293247 logG= -0.057846 TDE= -0.341436 logGD-logG0= -0.010624 tlogG= -0.047989 logG= -0.058613 Density= 0.214491 ETOT(band)= -0.233327 trlgG= -0.292664 logG= -0.057144 TDE= -0.341662 Density= 0.215891 ETOT(band)= -0.233502 trlgG= -0.294627 logG= -0.058613 TDE= -0.342847 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010654 tlogG= -0.047478 logG= -0.058132 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.046466 logG= -0.056725 Density= 0.215468 ETOT(band)= -0.233420 trlgG= -0.293819 logG= -0.058132 TDE= -0.342311 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215223 ETOT(band)= -0.232748 trlgG= -0.291574 logG= -0.056725 TDE= -0.341352 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010678 tlogG= -0.047937 logG= -0.058615 Density= 0.215764 ETOT(band)= -0.233572 trlgG= -0.294626 logG= -0.058615 TDE= -0.342782 logGD-logG0= -0.010696 tlogG= -0.046935 logG= -0.057632 logGD-logG0= -0.010145 tlogG= -0.048078 logG= -0.058223 Density= 0.214542 ETOT(band)= -0.233890 trlgG= -0.294086 logG= -0.058223 TDE= -0.342030 Density= 0.215432 ETOT(band)= -0.233143 trlgG= -0.293019 logG= -0.057632 TDE= -0.341994 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010171 tlogG= -0.047205 logG= -0.057376 Density= 0.215157 ETOT(band)= -0.233149 trlgG= -0.292589 logG= -0.057376 TDE= -0.341684 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.021019 logG= -0.025889 Density= 0.108704 ETOT(band)= -0.114205 trlgG= -0.141658 logG= -0.025889 TDE= -0.169561 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005059 tlogG= -0.021720 logG= -0.026778 Density= 0.107935 ETOT(band)= -0.115246 trlgG= -0.143236 logG= -0.026778 TDE= -0.169869 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005371 tlogG= -0.024156 logG= -0.029526 Density= 0.107808 ETOT(band)= -0.116968 trlgG= -0.147674 logG= -0.029526 TDE= -0.171496 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010745 tlogG= -0.048200 logG= -0.058945 Density= 0.215422 ETOT(band)= -0.233949 trlgG= -0.295148 logG= -0.058945 TDE= -0.342805 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005945 logG= -0.007234 Density= 0.080831 ETOT(band)= -0.087577 trlgG= -0.110346 logG= -0.007234 TDE= -0.042839 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001446 tlogG= -0.007972 logG= -0.009419 Density= 0.070880 ETOT(band)= -0.077874 trlgG= -0.097428 logG= -0.009419 TDE= -0.056924 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001198 tlogG= -0.005179 logG= -0.006377 Density= 0.062546 ETOT(band)= -0.067485 trlgG= -0.084193 logG= -0.006377 TDE= -0.042334 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.022929 logG= -0.027938 Density= 0.214814 ETOT(band)= -0.232201 trlgG= -0.289640 logG= -0.027938 TDE= -0.170322 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001216 tlogG= -0.005315 logG= -0.006531 Density= 0.081553 ETOT(band)= -0.085624 trlgG= -0.106206 logG= -0.006531 TDE= -0.042435 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005246 tlogG= -0.023786 logG= -0.029032 Density= 0.216270 ETOT(band)= -0.232859 trlgG= -0.293377 logG= -0.029032 TDE= -0.171316 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001708 tlogG= -0.007126 logG= -0.008834 Density= 0.072229 ETOT(band)= -0.076421 trlgG= -0.094834 logG= -0.008834 TDE= -0.056588 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004530 tlogG= -0.023608 logG= -0.028137 Density= 0.212657 ETOT(band)= -0.233767 trlgG= -0.292664 logG= -0.028137 TDE= -0.170583 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.022495 logG= -0.027456 Density= 0.215040 ETOT(band)= -0.231467 trlgG= -0.287999 logG= -0.027456 TDE= -0.170070 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.021331 logG= -0.026282 Density= 0.162642 ETOT(band)= -0.172856 trlgG= -0.215900 logG= -0.026282 TDE= -0.169777 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009036 tlogG= -0.048140 logG= -0.057175 Density= 0.425602 ETOT(band)= -0.467894 trlgG= -0.586321 logG= -0.057175 TDE= -0.341557 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009679 tlogG= -0.047819 logG= -0.057498 Density= 0.427224 ETOT(band)= -0.467493 trlgG= -0.585703 logG= -0.057498 TDE= -0.341275 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009725 tlogG= -0.047700 logG= -0.057425 Density= 0.426724 ETOT(band)= -0.467937 trlgG= -0.586842 logG= -0.057425 TDE= -0.341572 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004340 tlogG= -0.024152 logG= -0.028491 Density= 0.212212 ETOT(band)= -0.234142 trlgG= -0.293608 logG= -0.028491 TDE= -0.170865 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004474 tlogG= -0.023761 logG= -0.028235 logGD-logG0= -0.005122 tlogG= -0.021908 logG= -0.027030 Density= 0.216624 ETOT(band)= -0.230109 trlgG= -0.286462 logG= -0.027030 TDE= -0.170120 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213121 ETOT(band)= -0.233365 trlgG= -0.291694 logG= -0.028235 TDE= -0.170668 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001597 tlogG= -0.006884 logG= -0.008481 logGD-logG0= -0.004642 tlogG= -0.023913 logG= -0.028555 Density= 0.213311 ETOT(band)= -0.233644 trlgG= -0.292430 logG= -0.028555 TDE= -0.170673 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040845 ETOT(band)= -0.042643 trlgG= -0.052797 logG= -0.008481 TDE= -0.056428 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001269 tlogG= -0.005755 logG= -0.007024 Density= 0.080639 ETOT(band)= -0.087324 trlgG= -0.109593 logG= -0.007024 TDE= -0.042719 logGD-logG0= -0.001587 tlogG= -0.007595 logG= -0.009182 Density= 0.071505 ETOT(band)= -0.077280 trlgG= -0.096137 logG= -0.009182 TDE= -0.056700 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010053 tlogG= -0.044675 logG= -0.054728 Density= 0.324289 ETOT(band)= -0.346402 trlgG= -0.431909 logG= -0.054728 TDE= -0.340564 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.024025 logG= -0.029294 Density= 0.215683 ETOT(band)= -0.233671 trlgG= -0.294779 logG= -0.029294 TDE= -0.171466 logGD-logG0= -0.004991 tlogG= -0.022316 logG= -0.027308 Density= 0.214285 ETOT(band)= -0.232235 trlgG= -0.289386 logG= -0.027308 TDE= -0.170057 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005292 tlogG= -0.023511 logG= -0.028802 Density= 0.215220 ETOT(band)= -0.233136 trlgG= -0.292861 logG= -0.028802 TDE= -0.171057 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005862 logG= -0.007146 Density= 0.080650 ETOT(band)= -0.087540 trlgG= -0.110149 logG= -0.007146 TDE= -0.042785 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023908 logG= -0.028862 Density= 0.213809 ETOT(band)= -0.233799 trlgG= -0.292940 logG= -0.028862 TDE= -0.170681 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023440 logG= -0.028692 Density= 0.216192 ETOT(band)= -0.232478 trlgG= -0.292170 logG= -0.028692 TDE= -0.171078 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.021380 logG= -0.026413 Density= 0.217014 ETOT(band)= -0.229006 trlgG= -0.284264 logG= -0.026413 TDE= -0.169789 logGD-logG0= -0.001248 tlogG= -0.005626 logG= -0.006875 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080840 ETOT(band)= -0.086897 trlgG= -0.108593 logG= -0.006875 TDE= -0.042643 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023859 logG= -0.028734 Density= 0.213596 ETOT(band)= -0.233935 trlgG= -0.293676 logG= -0.028734 TDE= -0.170936 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023221 logG= -0.028430 Density= 0.214881 ETOT(band)= -0.232757 trlgG= -0.291168 logG= -0.028430 TDE= -0.170506 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004694 tlogG= -0.023394 logG= -0.028088 Density= 0.214202 ETOT(band)= -0.233167 trlgG= -0.292279 logG= -0.028088 TDE= -0.170798 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.021235 logG= -0.026228 Density= 0.216348 ETOT(band)= -0.229858 trlgG= -0.285512 logG= -0.026228 TDE= -0.169696 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001287 tlogG= -0.005990 logG= -0.007277 Density= 0.081057 ETOT(band)= -0.087483 trlgG= -0.110403 logG= -0.007277 TDE= -0.042869 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023823 logG= -0.029126 Density= 0.215335 ETOT(band)= -0.233573 trlgG= -0.294126 logG= -0.029126 TDE= -0.171313 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010773 tlogG= -0.048091 logG= -0.058864 Density= 0.323245 ETOT(band)= -0.350703 trlgG= -0.442292 logG= -0.058864 TDE= -0.342795 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023271 logG= -0.028341 Density= 0.321723 ETOT(band)= -0.350264 trlgG= -0.439532 logG= -0.028341 TDE= -0.170744 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.023871 logG= -0.028986 Density= 0.215495 ETOT(band)= -0.233570 trlgG= -0.294227 logG= -0.028986 TDE= -0.171000 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.024023 logG= -0.029257 Density= 0.216344 ETOT(band)= -0.233162 trlgG= -0.294314 logG= -0.029257 TDE= -0.171484 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010393 tlogG= -0.048005 logG= -0.058399 Density= 0.429223 ETOT(band)= -0.467831 trlgG= -0.588146 logG= -0.058399 TDE= -0.341926 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010358 tlogG= -0.048271 logG= -0.058629 Density= 0.430045 ETOT(band)= -0.467884 trlgG= -0.589275 logG= -0.058629 TDE= -0.342298 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.024145 logG= -0.029507 Density= 0.215714 ETOT(band)= -0.233827 trlgG= -0.295194 logG= -0.029507 TDE= -0.171496 logGD-logG0= -0.005160 tlogG= -0.022467 logG= -0.027627 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216368 ETOT(band)= -0.231106 trlgG= -0.288573 logG= -0.027627 TDE= -0.170459 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.023980 logG= -0.029099 Density= 0.214353 ETOT(band)= -0.233892 trlgG= -0.293854 logG= -0.029099 TDE= -0.170952 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.023981 logG= -0.029207 logGD-logG0= -0.010258 tlogG= -0.045685 logG= -0.055943 Density= 0.324045 ETOT(band)= -0.347671 trlgG= -0.434914 logG= -0.055943 TDE= -0.341239 Density= 0.216378 ETOT(band)= -0.233059 trlgG= -0.294083 logG= -0.029207 TDE= -0.171457 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004813 tlogG= -0.024029 logG= -0.028843 Density= 0.321585 ETOT(band)= -0.350804 trlgG= -0.441258 logG= -0.028843 TDE= -0.171115 logGD-logG0= -0.004616 tlogG= -0.023995 logG= -0.028611 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212841 ETOT(band)= -0.234048 trlgG= -0.293419 logG= -0.028611 TDE= -0.170722 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010496 tlogG= -0.047835 logG= -0.058330 logGD-logG0= -0.010540 tlogG= -0.047285 logG= -0.057825 Density= 0.324124 ETOT(band)= -0.349276 trlgG= -0.439617 logG= -0.057825 TDE= -0.342416 Density= 0.324337 ETOT(band)= -0.349646 trlgG= -0.440967 logG= -0.058330 TDE= -0.342807 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.024180 logG= -0.029240 Density= 0.214749 ETOT(band)= -0.233970 trlgG= -0.294474 logG= -0.029240 TDE= -0.171126 logGD-logG0= -0.010535 tlogG= -0.046466 logG= -0.057001 Density= 0.323993 ETOT(band)= -0.348616 trlgG= -0.437531 logG= -0.057001 TDE= -0.341861 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010078 tlogG= -0.047606 logG= -0.057684 Density= 0.428638 ETOT(band)= -0.467076 trlgG= -0.586108 logG= -0.057684 TDE= -0.341730 logGD-logG0= -0.004725 tlogG= -0.023391 logG= -0.028117 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321659 ETOT(band)= -0.349755 trlgG= -0.438681 logG= -0.028117 TDE= -0.170790 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009903 tlogG= -0.044675 logG= -0.054578 Density= 0.431622 ETOT(band)= -0.461708 trlgG= -0.574666 logG= -0.054578 TDE= -0.340198 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004824 tlogG= -0.023267 logG= -0.028091 Density= 0.213526 ETOT(band)= -0.233400 trlgG= -0.292158 logG= -0.028091 TDE= -0.170633 logGD-logG0= -0.005085 tlogG= -0.024186 logG= -0.029271 logGD-logG0= -0.009766 tlogG= -0.046655 logG= -0.056421 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322448 ETOT(band)= -0.350929 trlgG= -0.441939 logG= -0.029271 TDE= -0.171121 Density= 0.322720 ETOT(band)= -0.348722 trlgG= -0.436336 logG= -0.056421 TDE= -0.341392 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.022994 logG= -0.028217 Density= 0.216222 ETOT(band)= -0.231903 trlgG= -0.290555 logG= -0.028217 TDE= -0.170792 logGD-logG0= -0.005410 tlogG= -0.023921 logG= -0.029331 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215643 ETOT(band)= -0.233573 trlgG= -0.294507 logG= -0.029331 TDE= -0.171321 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004781 tlogG= -0.024030 logG= -0.028810 Density= 0.214136 ETOT(band)= -0.233880 trlgG= -0.294072 logG= -0.028810 TDE= -0.171119 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023980 logG= -0.029375 Density= 0.323655 ETOT(band)= -0.350382 trlgG= -0.442044 logG= -0.029375 TDE= -0.171369 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001235 tlogG= -0.005475 logG= -0.006711 Density= 0.081199 ETOT(band)= -0.086288 trlgG= -0.107361 logG= -0.006711 TDE= -0.042546 logGD-logG0= -0.004839 tlogG= -0.022352 logG= -0.027190 Density= 0.215043 ETOT(band)= -0.231756 trlgG= -0.289042 logG= -0.027190 TDE= -0.170144 logGD-logG0= -0.009722 tlogG= -0.047885 logG= -0.057608 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428072 ETOT(band)= -0.467742 trlgG= -0.587727 logG= -0.057608 TDE= -0.342043 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005473 tlogG= -0.023383 logG= -0.028856 Density= 0.215114 ETOT(band)= -0.233161 trlgG= -0.292664 logG= -0.028856 TDE= -0.170850 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009530 tlogG= -0.046759 logG= -0.056288 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005458 tlogG= -0.023707 logG= -0.029165 Density= 0.215409 ETOT(band)= -0.233423 trlgG= -0.293807 logG= -0.029165 TDE= -0.171143 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427943 ETOT(band)= -0.465711 trlgG= -0.581724 logG= -0.056288 TDE= -0.340996 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010321 tlogG= -0.047621 logG= -0.057942 Density= 0.430023 ETOT(band)= -0.466733 trlgG= -0.586043 logG= -0.057942 TDE= -0.341839 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010846 tlogG= -0.047739 logG= -0.058585 Density= 0.431090 ETOT(band)= -0.467095 trlgG= -0.588610 logG= -0.058585 TDE= -0.342549 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.048122 logG= -0.058689 Density= 0.430151 ETOT(band)= -0.467715 trlgG= -0.588949 logG= -0.058689 TDE= -0.342424 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010226 tlogG= -0.048196 logG= -0.058422 Density= 0.429319 ETOT(band)= -0.467871 trlgG= -0.588507 logG= -0.058422 TDE= -0.342092 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.047717 logG= -0.058050 Density= 0.428323 ETOT(band)= -0.467729 trlgG= -0.587060 logG= -0.058050 TDE= -0.341684 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.046655 logG= -0.056240 Density= 0.428138 ETOT(band)= -0.466437 trlgG= -0.584334 logG= -0.056240 TDE= -0.341414 logGD-logG0= -0.010735 tlogG= -0.047783 logG= -0.058518 Density= 0.430752 ETOT(band)= -0.467147 trlgG= -0.588245 logG= -0.058518 TDE= -0.342442 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.046449 logG= -0.056462 Density= 0.429561 ETOT(band)= -0.465161 trlgG= -0.581422 logG= -0.056462 TDE= -0.341111 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.046982 logG= -0.057378 logGD-logG0= -0.010771 tlogG= -0.048064 logG= -0.058834 Density= 0.429899 ETOT(band)= -0.466084 trlgG= -0.584114 logG= -0.057378 TDE= -0.341395 Density= 0.431326 ETOT(band)= -0.467380 trlgG= -0.589604 logG= -0.058834 TDE= -0.342814 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022353 logG= -0.027232 Density= 0.322889 ETOT(band)= -0.347691 trlgG= -0.433946 logG= -0.027232 TDE= -0.170140 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010794 tlogG= -0.047321 logG= -0.058115 Density= 0.430488 ETOT(band)= -0.466719 trlgG= -0.586772 logG= -0.058115 TDE= -0.342059 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.047902 logG= -0.057800 Density= 0.429157 ETOT(band)= -0.467532 trlgG= -0.587717 logG= -0.057800 TDE= -0.342033 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.024110 logG= -0.029399 Density= 0.323061 ETOT(band)= -0.350909 trlgG= -0.442591 logG= -0.029399 TDE= -0.171310 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.547518919817 eV TrLogG= -407.207086336396 eV Ratio to renormalize= 0.999987912811 rho-rho_expected= 0.000265921375 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 77) Finished k-point number 155 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964393613039656 0.939878592458325 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001052 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005852 logG= -0.001052 TDE= -0.007048 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002626 tlogG= -0.012043 logG= -0.014669 Density= 0.053763 ETOT(band)= -0.058481 trlgG= -0.073664 logG= -0.014669 TDE= -0.085599 logGD-logG0= -0.002444 tlogG= -0.012092 logG= -0.014536 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053586 ETOT(band)= -0.058490 trlgG= -0.073606 logG= -0.014536 TDE= -0.085587 logGD-logG0= -0.002349 tlogG= -0.011894 logG= -0.014242 Density= 0.053565 ETOT(band)= -0.058346 trlgG= -0.073244 logG= -0.014242 TDE= -0.085508 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.008050 logG= -0.009470 logGD-logG0= -0.002357 tlogG= -0.011459 logG= -0.013815 Density= 0.035320 ETOT(band)= -0.039034 trlgG= -0.048953 logG= -0.009470 TDE= -0.056961 logGD-logG0= -0.001502 tlogG= -0.007817 logG= -0.009319 Density= 0.035498 ETOT(band)= -0.038885 trlgG= -0.048590 logG= -0.009319 TDE= -0.056838 Density= 0.053739 ETOT(band)= -0.058017 trlgG= -0.072481 logG= -0.013815 TDE= -0.085259 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002585 tlogG= -0.011995 logG= -0.014579 logGD-logG0= -0.005195 tlogG= -0.023453 logG= -0.028648 Density= 0.054133 ETOT(band)= -0.058248 trlgG= -0.073533 logG= -0.014579 TDE= -0.085741 Density= 0.108125 ETOT(band)= -0.116282 trlgG= -0.146255 logG= -0.028648 TDE= -0.171112 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004366 tlogG= -0.024069 logG= -0.028436 logGD-logG0= -0.005083 tlogG= -0.022482 logG= -0.027565 Density= 0.106136 ETOT(band)= -0.117041 trlgG= -0.146734 logG= -0.028436 TDE= -0.170820 Density= 0.108199 ETOT(band)= -0.115639 trlgG= -0.144535 logG= -0.027565 TDE= -0.170512 logGD-logG0= -0.005189 tlogG= -0.023971 logG= -0.029160 Density= 0.108220 ETOT(band)= -0.116521 trlgG= -0.147070 logG= -0.029160 TDE= -0.171462 logGD-logG0= -0.004393 tlogG= -0.023992 logG= -0.028386 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023785 logG= -0.028987 logGD-logG0= -0.005325 tlogG= -0.024094 logG= -0.029420 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108170 ETOT(band)= -0.116445 trlgG= -0.146791 logG= -0.028987 TDE= -0.171332 logGD-logG0= -0.002653 tlogG= -0.011998 logG= -0.014651 Density= 0.053980 ETOT(band)= -0.058367 trlgG= -0.073651 logG= -0.014651 TDE= -0.085712 Density= 0.107641 ETOT(band)= -0.116965 trlgG= -0.147474 logG= -0.029420 TDE= -0.171321 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022196 logG= -0.027196 logGD-logG0= -0.005152 tlogG= -0.023006 logG= -0.028158 Density= 0.106188 ETOT(band)= -0.116997 trlgG= -0.146621 logG= -0.028386 TDE= -0.170782 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108354 ETOT(band)= -0.115334 trlgG= -0.143929 logG= -0.027196 TDE= -0.170352 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.024066 logG= -0.028654 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108130 ETOT(band)= -0.116012 trlgG= -0.145480 logG= -0.028158 TDE= -0.170830 Density= 0.106403 ETOT(band)= -0.117033 trlgG= -0.146748 logG= -0.028654 TDE= -0.170747 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023224 logG= -0.027894 Density= 0.106750 ETOT(band)= -0.116505 trlgG= -0.145420 logG= -0.027894 TDE= -0.170352 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.024114 logG= -0.029155 Density= 0.107381 ETOT(band)= -0.116927 trlgG= -0.147099 logG= -0.029155 TDE= -0.171082 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023667 logG= -0.028708 logGD-logG0= -0.005176 tlogG= -0.023893 logG= -0.029069 Density= 0.106986 ETOT(band)= -0.116819 trlgG= -0.146249 logG= -0.028708 TDE= -0.170483 Density= 0.108241 ETOT(band)= -0.116457 trlgG= -0.146921 logG= -0.029069 TDE= -0.171415 logGD-logG0= -0.005277 tlogG= -0.023989 logG= -0.029265 Density= 0.107445 ETOT(band)= -0.116949 trlgG= -0.147199 logG= -0.029265 TDE= -0.171103 logGD-logG0= -0.005372 tlogG= -0.024152 logG= -0.029524 Density= 0.107807 ETOT(band)= -0.116963 trlgG= -0.147665 logG= -0.029524 TDE= -0.171489 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.022872 logG= -0.027784 logGD-logG0= -0.005357 tlogG= -0.023927 logG= -0.029284 Density= 0.107749 ETOT(band)= -0.116833 trlgG= -0.147261 logG= -0.029284 TDE= -0.171297 Density= 0.107749 ETOT(band)= -0.115989 trlgG= -0.144893 logG= -0.027784 TDE= -0.170428 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.024107 logG= -0.029446 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107883 ETOT(band)= -0.116876 trlgG= -0.147541 logG= -0.029446 TDE= -0.171481 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023689 logG= -0.028413 logGD-logG0= -0.005079 tlogG= -0.022758 logG= -0.027838 Density= 0.108243 ETOT(band)= -0.115776 trlgG= -0.144971 logG= -0.027838 TDE= -0.170697 logGD-logG0= -0.005146 tlogG= -0.023239 logG= -0.028385 Density= 0.108188 ETOT(band)= -0.116106 trlgG= -0.145837 logG= -0.028385 TDE= -0.170989 logGD-logG0= -0.005157 tlogG= -0.022899 logG= -0.028056 Density= 0.107619 ETOT(band)= -0.116192 trlgG= -0.145302 logG= -0.028056 TDE= -0.170501 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023710 logG= -0.028587 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107382 ETOT(band)= -0.116616 trlgG= -0.146357 logG= -0.028587 TDE= -0.170908 Density= 0.106611 ETOT(band)= -0.116841 trlgG= -0.146331 logG= -0.028413 TDE= -0.170674 logGD-logG0= -0.005178 tlogG= -0.023627 logG= -0.028805 Density= 0.108196 ETOT(band)= -0.116330 trlgG= -0.146500 logG= -0.028805 TDE= -0.171236 logGD-logG0= -0.004946 tlogG= -0.023916 logG= -0.028862 Density= 0.106767 ETOT(band)= -0.116999 trlgG= -0.146861 logG= -0.028862 TDE= -0.170832 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004780 tlogG= -0.023521 logG= -0.028300 Density= 0.106785 ETOT(band)= -0.116697 trlgG= -0.145907 logG= -0.028300 TDE= -0.170449 logGD-logG0= -0.004928 tlogG= -0.024089 logG= -0.029017 Density= 0.107062 ETOT(band)= -0.116984 trlgG= -0.147119 logG= -0.029017 TDE= -0.171082 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023222 logG= -0.028568 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023705 logG= -0.029038 Density= 0.107235 ETOT(band)= -0.116894 trlgG= -0.146801 logG= -0.029038 TDE= -0.170828 Density= 0.107683 ETOT(band)= -0.116442 trlgG= -0.146111 logG= -0.028568 TDE= -0.170830 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.023707 logG= -0.028462 Density= 0.106984 ETOT(band)= -0.116729 trlgG= -0.146441 logG= -0.028462 TDE= -0.170921 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004789 tlogG= -0.022873 logG= -0.027662 Density= 0.107305 ETOT(band)= -0.116128 trlgG= -0.145013 logG= -0.027662 TDE= -0.170451 logGD-logG0= -0.005325 tlogG= -0.023890 logG= -0.029216 Density= 0.107911 ETOT(band)= -0.116703 trlgG= -0.147158 logG= -0.029216 TDE= -0.171342 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009878 tlogG= -0.048285 logG= -0.058163 Density= 0.214410 ETOT(band)= -0.233930 trlgG= -0.294318 logG= -0.058163 TDE= -0.342255 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024078 logG= -0.029393 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107941 ETOT(band)= -0.116810 trlgG= -0.147454 logG= -0.029393 TDE= -0.171476 logGD-logG0= -0.009567 tlogG= -0.045804 logG= -0.055371 logGD-logG0= -0.009198 tlogG= -0.047671 logG= -0.056869 Density= 0.215028 ETOT(band)= -0.232094 trlgG= -0.289933 logG= -0.055371 TDE= -0.340968 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212956 ETOT(band)= -0.233802 trlgG= -0.292799 logG= -0.056869 TDE= -0.341311 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.047941 logG= -0.057964 Density= 0.213983 ETOT(band)= -0.233963 trlgG= -0.294000 logG= -0.057964 TDE= -0.341925 logGD-logG0= -0.009846 tlogG= -0.045633 logG= -0.055478 Density= 0.214382 ETOT(band)= -0.232436 trlgG= -0.290102 logG= -0.055478 TDE= -0.340711 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009744 tlogG= -0.047200 logG= -0.056943 Density= 0.213787 ETOT(band)= -0.233514 trlgG= -0.292733 logG= -0.056943 TDE= -0.341582 logGD-logG0= -0.010599 tlogG= -0.047791 logG= -0.058390 Density= 0.214762 ETOT(band)= -0.233859 trlgG= -0.294149 logG= -0.058390 TDE= -0.342033 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009899 tlogG= -0.047201 logG= -0.057099 logGD-logG0= -0.009517 tlogG= -0.047489 logG= -0.057006 logGD-logG0= -0.009623 tlogG= -0.047975 logG= -0.057599 Density= 0.213296 ETOT(band)= -0.234017 trlgG= -0.293442 logG= -0.057599 TDE= -0.341392 Density= 0.213798 ETOT(band)= -0.233559 trlgG= -0.292526 logG= -0.057099 TDE= -0.341225 Density= 0.214324 ETOT(band)= -0.233352 trlgG= -0.292871 logG= -0.057006 TDE= -0.341923 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010401 tlogG= -0.048026 logG= -0.058428 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215074 ETOT(band)= -0.233772 trlgG= -0.294247 logG= -0.058428 TDE= -0.342249 logGD-logG0= -0.002427 tlogG= -0.010440 logG= -0.012867 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010634 tlogG= -0.048062 logG= -0.058696 Density= 0.215107 ETOT(band)= -0.233908 trlgG= -0.294690 logG= -0.058696 TDE= -0.342440 Density= 0.054374 ETOT(band)= -0.057027 trlgG= -0.070686 logG= -0.012867 TDE= -0.084726 logGD-logG0= -0.010555 tlogG= -0.048126 logG= -0.058681 logGD-logG0= -0.001640 tlogG= -0.007001 logG= -0.008641 Density= 0.036194 ETOT(band)= -0.038096 trlgG= -0.047242 logG= -0.008641 TDE= -0.056512 Density= 0.215071 ETOT(band)= -0.233917 trlgG= -0.294663 logG= -0.058681 TDE= -0.342410 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010463 tlogG= -0.047831 logG= -0.058294 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214662 ETOT(band)= -0.233852 trlgG= -0.293978 logG= -0.058294 TDE= -0.341910 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010627 tlogG= -0.047982 logG= -0.058609 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215887 ETOT(band)= -0.233491 trlgG= -0.294610 logG= -0.058609 TDE= -0.342833 logGD-logG0= -0.010484 tlogG= -0.047358 logG= -0.057842 Density= 0.214274 ETOT(band)= -0.233747 trlgG= -0.293230 logG= -0.057842 TDE= -0.341422 logGD-logG0= -0.010147 tlogG= -0.048072 logG= -0.058219 logGD-logG0= -0.010700 tlogG= -0.047570 logG= -0.058270 Density= 0.214539 ETOT(band)= -0.233879 trlgG= -0.294070 logG= -0.058219 TDE= -0.342016 logGD-logG0= -0.010746 tlogG= -0.048194 logG= -0.058940 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047705 logG= -0.057964 Density= 0.215419 ETOT(band)= -0.233938 trlgG= -0.295131 logG= -0.058940 TDE= -0.342791 Density= 0.215694 ETOT(band)= -0.233372 trlgG= -0.294046 logG= -0.058270 TDE= -0.342512 logGD-logG0= -0.009950 tlogG= -0.045695 logG= -0.055645 Density= 0.213964 ETOT(band)= -0.233950 trlgG= -0.293752 logG= -0.057964 TDE= -0.341668 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023009 logG= -0.027765 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215158 ETOT(band)= -0.232172 trlgG= -0.289927 logG= -0.055645 TDE= -0.340753 Density= 0.106885 ETOT(band)= -0.116375 trlgG= -0.145159 logG= -0.027765 TDE= -0.170286 logGD-logG0= -0.001707 tlogG= -0.007311 logG= -0.009018 Density= 0.035846 ETOT(band)= -0.038540 trlgG= -0.047898 logG= -0.009018 TDE= -0.056618 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010260 tlogG= -0.046461 logG= -0.056721 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215220 ETOT(band)= -0.232737 trlgG= -0.291557 logG= -0.056721 TDE= -0.341338 logGD-logG0= -0.010655 tlogG= -0.047472 logG= -0.058128 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215465 ETOT(band)= -0.233409 trlgG= -0.293802 logG= -0.058128 TDE= -0.342297 logGD-logG0= -0.010681 tlogG= -0.047930 logG= -0.058611 Density= 0.215760 ETOT(band)= -0.233561 trlgG= -0.294610 logG= -0.058611 TDE= -0.342768 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010697 tlogG= -0.046930 logG= -0.057628 Density= 0.215429 ETOT(band)= -0.233132 trlgG= -0.293002 logG= -0.057628 TDE= -0.341980 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023600 logG= -0.028962 Density= 0.107797 ETOT(band)= -0.116606 trlgG= -0.146742 logG= -0.028962 TDE= -0.171123 logGD-logG0= -0.009872 tlogG= -0.047267 logG= -0.057139 Density= 0.214488 ETOT(band)= -0.233316 trlgG= -0.292648 logG= -0.057139 TDE= -0.341648 logGD-logG0= -0.010172 tlogG= -0.047199 logG= -0.057372 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215154 ETOT(band)= -0.233138 trlgG= -0.292572 logG= -0.057372 TDE= -0.341670 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002488 tlogG= -0.010852 logG= -0.013340 Density= 0.054063 ETOT(band)= -0.057541 trlgG= -0.071528 logG= -0.013340 TDE= -0.084940 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005060 tlogG= -0.022431 logG= -0.027491 Density= 0.107639 ETOT(band)= -0.115858 trlgG= -0.144407 logG= -0.027491 TDE= -0.170181 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.021591 logG= -0.026542 Density= 0.108508 ETOT(band)= -0.114785 trlgG= -0.142804 logG= -0.026542 TDE= -0.169957 logGD-logG0= -0.005036 tlogG= -0.021901 logG= -0.026937 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108320 ETOT(band)= -0.115149 trlgG= -0.143481 logG= -0.026937 TDE= -0.170145 logGD-logG0= -0.004871 tlogG= -0.021017 logG= -0.025887 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108702 ETOT(band)= -0.114200 trlgG= -0.141651 logG= -0.025887 TDE= -0.169555 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005118 tlogG= -0.021840 logG= -0.026958 Density= 0.107792 ETOT(band)= -0.115432 trlgG= -0.143535 logG= -0.026958 TDE= -0.169918 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005059 tlogG= -0.021717 logG= -0.026776 Density= 0.107934 ETOT(band)= -0.115241 trlgG= -0.143228 logG= -0.026776 TDE= -0.169862 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010113 tlogG= -0.043436 logG= -0.053549 Density= 0.216276 ETOT(band)= -0.230276 trlgG= -0.286437 logG= -0.053549 TDE= -0.339912 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001289 tlogG= -0.005945 logG= -0.007233 Density= 0.080830 ETOT(band)= -0.087573 trlgG= -0.110340 logG= -0.007233 TDE= -0.042837 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005861 logG= -0.007145 Density= 0.080649 ETOT(band)= -0.087535 trlgG= -0.110142 logG= -0.007145 TDE= -0.042783 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005754 logG= -0.007023 Density= 0.080638 ETOT(band)= -0.087320 trlgG= -0.109587 logG= -0.007023 TDE= -0.042718 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005626 logG= -0.006874 Density= 0.080839 ETOT(band)= -0.086893 trlgG= -0.108587 logG= -0.006874 TDE= -0.042642 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005989 logG= -0.007277 Density= 0.081056 ETOT(band)= -0.087479 trlgG= -0.110396 logG= -0.007277 TDE= -0.042867 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.024022 logG= -0.029292 Density= 0.215679 ETOT(band)= -0.233660 trlgG= -0.294762 logG= -0.029292 TDE= -0.171459 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023820 logG= -0.029124 Density= 0.215332 ETOT(band)= -0.233562 trlgG= -0.294109 logG= -0.029124 TDE= -0.171306 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005160 tlogG= -0.022464 logG= -0.027625 Density= 0.216365 ETOT(band)= -0.231095 trlgG= -0.288557 logG= -0.027625 TDE= -0.170452 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001447 tlogG= -0.007971 logG= -0.009418 Density= 0.070879 ETOT(band)= -0.077870 trlgG= -0.097422 logG= -0.009418 TDE= -0.056922 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023906 logG= -0.028860 Density= 0.213806 ETOT(band)= -0.233788 trlgG= -0.292923 logG= -0.028860 TDE= -0.170674 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005223 tlogG= -0.022991 logG= -0.028214 Density= 0.216218 ETOT(band)= -0.231892 trlgG= -0.290539 logG= -0.028214 TDE= -0.170785 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.023856 logG= -0.028732 logGD-logG0= -0.004825 tlogG= -0.023265 logG= -0.028089 Density= 0.213524 ETOT(band)= -0.233388 trlgG= -0.292141 logG= -0.028089 TDE= -0.170626 Density= 0.213593 ETOT(band)= -0.233924 trlgG= -0.293659 logG= -0.028732 TDE= -0.170929 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004781 tlogG= -0.024027 logG= -0.028808 Density= 0.214134 ETOT(band)= -0.233869 trlgG= -0.294055 logG= -0.028808 TDE= -0.171112 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.024020 logG= -0.029255 Density= 0.216340 ETOT(band)= -0.233152 trlgG= -0.294298 logG= -0.029255 TDE= -0.171477 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004814 tlogG= -0.024026 logG= -0.028840 Density= 0.321580 ETOT(band)= -0.350787 trlgG= -0.441233 logG= -0.028840 TDE= -0.171108 logGD-logG0= -0.004340 tlogG= -0.024149 logG= -0.028489 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212210 ETOT(band)= -0.234130 trlgG= -0.293590 logG= -0.028489 TDE= -0.170858 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023508 logG= -0.028800 Density= 0.215217 ETOT(band)= -0.233125 trlgG= -0.292845 logG= -0.028800 TDE= -0.171050 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023993 logG= -0.028609 Density= 0.212838 ETOT(band)= -0.234037 trlgG= -0.293403 logG= -0.028609 TDE= -0.170715 logGD-logG0= -0.005116 tlogG= -0.023868 logG= -0.028984 Density= 0.215492 ETOT(band)= -0.233559 trlgG= -0.294210 logG= -0.028984 TDE= -0.170993 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004474 tlogG= -0.023758 logG= -0.028232 Density= 0.213119 ETOT(band)= -0.233354 trlgG= -0.291677 logG= -0.028232 TDE= -0.170661 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004530 tlogG= -0.023605 logG= -0.028135 logGD-logG0= -0.005228 tlogG= -0.023977 logG= -0.029205 logGD-logG0= -0.010542 tlogG= -0.047278 logG= -0.057821 Density= 0.216374 ETOT(band)= -0.233048 trlgG= -0.294066 logG= -0.029205 TDE= -0.171450 logGD-logG0= -0.005363 tlogG= -0.024141 logG= -0.029505 Density= 0.215711 ETOT(band)= -0.233816 trlgG= -0.295177 logG= -0.029505 TDE= -0.171489 Density= 0.324118 ETOT(band)= -0.349260 trlgG= -0.439593 logG= -0.057821 TDE= -0.342402 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.023437 logG= -0.028689 Density= 0.216189 ETOT(band)= -0.232467 trlgG= -0.292153 logG= -0.028689 TDE= -0.171071 Density= 0.212654 ETOT(band)= -0.233755 trlgG= -0.292648 logG= -0.028135 TDE= -0.170576 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.024108 logG= -0.029397 Density= 0.323056 ETOT(band)= -0.350892 trlgG= -0.442566 logG= -0.029397 TDE= -0.171302 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001597 tlogG= -0.006883 logG= -0.008480 Density= 0.040844 ETOT(band)= -0.042641 trlgG= -0.052794 logG= -0.008480 TDE= -0.056426 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005060 tlogG= -0.024178 logG= -0.029238 logGD-logG0= -0.010259 tlogG= -0.045680 logG= -0.055939 Density= 0.214746 ETOT(band)= -0.233959 trlgG= -0.294457 logG= -0.029238 TDE= -0.171119 logGD-logG0= -0.010498 tlogG= -0.047828 logG= -0.058326 Density= 0.324331 ETOT(band)= -0.349630 trlgG= -0.440943 logG= -0.058326 TDE= -0.342793 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324040 ETOT(band)= -0.347655 trlgG= -0.434890 logG= -0.055939 TDE= -0.341225 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010775 tlogG= -0.048085 logG= -0.058860 Density= 0.323240 ETOT(band)= -0.350687 trlgG= -0.442266 logG= -0.058860 TDE= -0.342781 logGD-logG0= -0.005086 tlogG= -0.024183 logG= -0.029269 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004642 tlogG= -0.023910 logG= -0.028553 Density= 0.213308 ETOT(band)= -0.233633 trlgG= -0.292414 logG= -0.028553 TDE= -0.170667 Density= 0.322443 ETOT(band)= -0.350912 trlgG= -0.441914 logG= -0.029269 TDE= -0.171114 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.023389 logG= -0.028115 Density= 0.321655 ETOT(band)= -0.349738 trlgG= -0.438656 logG= -0.028115 TDE= -0.170783 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001198 tlogG= -0.005178 logG= -0.006376 logGD-logG0= -0.005209 tlogG= -0.023219 logG= -0.028427 Density= 0.062545 ETOT(band)= -0.067482 trlgG= -0.084189 logG= -0.006376 TDE= -0.042332 Density= 0.214877 ETOT(band)= -0.232746 trlgG= -0.291151 logG= -0.028427 TDE= -0.170499 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005396 tlogG= -0.023977 logG= -0.029373 logGD-logG0= -0.005411 tlogG= -0.023918 logG= -0.029329 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.023783 logG= -0.029030 Density= 0.216266 ETOT(band)= -0.232848 trlgG= -0.293361 logG= -0.029030 TDE= -0.171309 Density= 0.323649 ETOT(band)= -0.350366 trlgG= -0.442019 logG= -0.029373 TDE= -0.171362 Density= 0.215640 ETOT(band)= -0.233563 trlgG= -0.294491 logG= -0.029329 TDE= -0.171313 logGD-logG0= -0.005474 tlogG= -0.023380 logG= -0.028854 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215111 ETOT(band)= -0.233150 trlgG= -0.292647 logG= -0.028854 TDE= -0.170843 logGD-logG0= -0.010537 tlogG= -0.046460 logG= -0.056997 Density= 0.323988 ETOT(band)= -0.348600 trlgG= -0.437507 logG= -0.056997 TDE= -0.341847 logGD-logG0= -0.009767 tlogG= -0.046649 logG= -0.056416 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322715 ETOT(band)= -0.348706 trlgG= -0.436311 logG= -0.056416 TDE= -0.341378 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004694 tlogG= -0.023391 logG= -0.028086 logGD-logG0= -0.005119 tlogG= -0.023977 logG= -0.029097 Density= 0.214200 ETOT(band)= -0.233155 trlgG= -0.292262 logG= -0.028086 TDE= -0.170791 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214350 ETOT(band)= -0.233881 trlgG= -0.293837 logG= -0.029097 TDE= -0.170945 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009036 tlogG= -0.048135 logG= -0.057171 Density= 0.425597 ETOT(band)= -0.467871 trlgG= -0.586288 logG= -0.057171 TDE= -0.341544 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.023268 logG= -0.028339 Density= 0.321718 ETOT(band)= -0.350248 trlgG= -0.439507 logG= -0.028339 TDE= -0.170737 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009723 tlogG= -0.047880 logG= -0.057603 logGD-logG0= -0.010227 tlogG= -0.048190 logG= -0.058417 Density= 0.429312 ETOT(band)= -0.467849 trlgG= -0.588474 logG= -0.058417 TDE= -0.342078 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428066 ETOT(band)= -0.467719 trlgG= -0.587694 logG= -0.057603 TDE= -0.342029 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009530 tlogG= -0.046754 logG= -0.056284 Density= 0.427937 ETOT(band)= -0.465688 trlgG= -0.581690 logG= -0.056284 TDE= -0.340982 logGD-logG0= -0.001587 tlogG= -0.007594 logG= -0.009182 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071504 ETOT(band)= -0.077276 trlgG= -0.096132 logG= -0.009182 TDE= -0.056698 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.021328 logG= -0.026280 logGD-logG0= -0.010359 tlogG= -0.048266 logG= -0.058625 Density= 0.430038 ETOT(band)= -0.467862 trlgG= -0.589240 logG= -0.058625 TDE= -0.342284 Density= 0.162639 ETOT(band)= -0.172848 trlgG= -0.215889 logG= -0.026280 TDE= -0.169770 logGD-logG0= -0.010568 tlogG= -0.048117 logG= -0.058685 logGD-logG0= -0.010334 tlogG= -0.047712 logG= -0.058046 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430144 ETOT(band)= -0.467693 trlgG= -0.588914 logG= -0.058685 TDE= -0.342410 Density= 0.428317 ETOT(band)= -0.467707 trlgG= -0.587027 logG= -0.058046 TDE= -0.341670 logGD-logG0= -0.010395 tlogG= -0.048000 logG= -0.058394 Density= 0.429217 ETOT(band)= -0.467809 trlgG= -0.588112 logG= -0.058394 TDE= -0.341912 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010848 tlogG= -0.047732 logG= -0.058580 logGD-logG0= -0.009587 tlogG= -0.046649 logG= -0.056236 Density= 0.431083 ETOT(band)= -0.467073 trlgG= -0.588576 logG= -0.058580 TDE= -0.342535 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009725 tlogG= -0.047696 logG= -0.057420 Density= 0.428133 ETOT(band)= -0.466414 trlgG= -0.584300 logG= -0.056236 TDE= -0.341400 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426718 ETOT(band)= -0.467914 trlgG= -0.586808 logG= -0.057420 TDE= -0.341558 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009679 tlogG= -0.047814 logG= -0.057493 Density= 0.427219 ETOT(band)= -0.467470 trlgG= -0.585669 logG= -0.057493 TDE= -0.341261 logGD-logG0= -0.010736 tlogG= -0.047778 logG= -0.058513 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430746 ETOT(band)= -0.467125 trlgG= -0.588211 logG= -0.058513 TDE= -0.342428 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009899 tlogG= -0.047896 logG= -0.057795 Density= 0.429150 ETOT(band)= -0.467509 trlgG= -0.587684 logG= -0.057795 TDE= -0.342020 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010773 tlogG= -0.048057 logG= -0.058830 Density= 0.431319 ETOT(band)= -0.467358 trlgG= -0.589570 logG= -0.058830 TDE= -0.342800 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010015 tlogG= -0.046444 logG= -0.056458 Density= 0.429555 ETOT(band)= -0.465139 trlgG= -0.581389 logG= -0.056458 TDE= -0.341098 logGD-logG0= -0.010397 tlogG= -0.046976 logG= -0.057373 Density= 0.429893 ETOT(band)= -0.466062 trlgG= -0.584081 logG= -0.057373 TDE= -0.341381 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010079 tlogG= -0.047601 logG= -0.057680 Density= 0.428632 ETOT(band)= -0.467054 trlgG= -0.586074 logG= -0.057680 TDE= -0.341716 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010795 tlogG= -0.047316 logG= -0.058111 logGD-logG0= -0.010322 tlogG= -0.047616 logG= -0.057937 Density= 0.430482 ETOT(band)= -0.466697 trlgG= -0.586739 logG= -0.058111 TDE= -0.342044 Density= 0.430016 ETOT(band)= -0.466711 trlgG= -0.586009 logG= -0.057937 TDE= -0.341824 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.022350 logG= -0.027230 Density= 0.322885 ETOT(band)= -0.347674 trlgG= -0.433922 logG= -0.027230 TDE= -0.170133 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005314 logG= -0.006530 Density= 0.081552 ETOT(band)= -0.085620 trlgG= -0.106201 logG= -0.006530 TDE= -0.042434 logGD-logG0= -0.001236 tlogG= -0.005475 logG= -0.006710 Density= 0.081198 ETOT(band)= -0.086284 trlgG= -0.107355 logG= -0.006710 TDE= -0.042545 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005459 tlogG= -0.023704 logG= -0.029163 Density= 0.215406 ETOT(band)= -0.233412 trlgG= -0.293790 logG= -0.029163 TDE= -0.171136 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004839 tlogG= -0.022349 logG= -0.027188 Density= 0.215040 ETOT(band)= -0.231745 trlgG= -0.289026 logG= -0.027188 TDE= -0.170138 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010054 tlogG= -0.044670 logG= -0.054724 Density= 0.324284 ETOT(band)= -0.346386 trlgG= -0.431885 logG= -0.054724 TDE= -0.340550 logGD-logG0= -0.001708 tlogG= -0.007125 logG= -0.008833 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072228 ETOT(band)= -0.076417 trlgG= -0.094829 logG= -0.008833 TDE= -0.056586 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.022493 logG= -0.027454 Density= 0.215037 ETOT(band)= -0.231456 trlgG= -0.287983 logG= -0.027454 TDE= -0.170063 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022926 logG= -0.027936 Density= 0.214811 ETOT(band)= -0.232190 trlgG= -0.289624 logG= -0.027936 TDE= -0.170315 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.021905 logG= -0.027028 Density= 0.216621 ETOT(band)= -0.230098 trlgG= -0.286446 logG= -0.027028 TDE= -0.170113 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005034 tlogG= -0.021377 logG= -0.026411 Density= 0.217010 ETOT(band)= -0.228995 trlgG= -0.284248 logG= -0.026411 TDE= -0.169783 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004992 tlogG= -0.022314 logG= -0.027306 Density= 0.214282 ETOT(band)= -0.232223 trlgG= -0.289369 logG= -0.027306 TDE= -0.170050 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004993 tlogG= -0.021233 logG= -0.026226 Density= 0.216344 ETOT(band)= -0.229847 trlgG= -0.285496 logG= -0.026226 TDE= -0.169689 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009905 tlogG= -0.044669 logG= -0.054574 Density= 0.431616 ETOT(band)= -0.461686 trlgG= -0.574634 logG= -0.054574 TDE= -0.340184 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.532115948070 eV TrLogG= -407.181721204975 eV Ratio to renormalize= 1.000002576782 rho-rho_expected=-0.000056689050 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 110 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 72) Finished k-point number 146 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964378667488656 0.939863122798274 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001502 tlogG= -0.007817 logG= -0.009319 Density= 0.035498 ETOT(band)= -0.038885 trlgG= -0.048591 logG= -0.009319 TDE= -0.056838 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004366 tlogG= -0.024070 logG= -0.028436 Density= 0.106136 ETOT(band)= -0.117041 trlgG= -0.146735 logG= -0.028436 TDE= -0.170821 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.023009 logG= -0.027766 Density= 0.106885 ETOT(band)= -0.116376 trlgG= -0.145160 logG= -0.027766 TDE= -0.170286 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.022431 logG= -0.027491 Density= 0.107639 ETOT(band)= -0.115859 trlgG= -0.144408 logG= -0.027491 TDE= -0.170182 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001640 tlogG= -0.007001 logG= -0.008641 Density= 0.036194 ETOT(band)= -0.038096 trlgG= -0.047242 logG= -0.008641 TDE= -0.056512 logGD-logG0= -0.002427 tlogG= -0.010440 logG= -0.012867 Density= 0.054374 ETOT(band)= -0.057027 trlgG= -0.070687 logG= -0.012867 TDE= -0.084727 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004950 tlogG= -0.021592 logG= -0.026542 Density= 0.108508 ETOT(band)= -0.114786 trlgG= -0.142805 logG= -0.026542 TDE= -0.169958 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005118 tlogG= -0.021841 logG= -0.026959 Density= 0.107793 ETOT(band)= -0.115432 trlgG= -0.143536 logG= -0.026959 TDE= -0.169919 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001052 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005852 logG= -0.001052 TDE= -0.007048 logGD-logG0= -0.002444 tlogG= -0.012092 logG= -0.014536 Density= 0.053586 ETOT(band)= -0.058491 trlgG= -0.073607 logG= -0.014536 TDE= -0.085588 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002626 tlogG= -0.012043 logG= -0.014669 Density= 0.053763 ETOT(band)= -0.058482 trlgG= -0.073664 logG= -0.014669 TDE= -0.085600 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002357 tlogG= -0.011459 logG= -0.013815 Density= 0.053739 ETOT(band)= -0.058017 trlgG= -0.072482 logG= -0.013815 TDE= -0.085260 logGD-logG0= -0.002349 tlogG= -0.011894 logG= -0.014243 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053565 ETOT(band)= -0.058346 trlgG= -0.073244 logG= -0.014243 TDE= -0.085508 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.008050 logG= -0.009470 Density= 0.035320 ETOT(band)= -0.039034 trlgG= -0.048953 logG= -0.009470 TDE= -0.056961 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.011995 logG= -0.014579 Density= 0.054133 ETOT(band)= -0.058249 trlgG= -0.073534 logG= -0.014579 TDE= -0.085742 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023786 logG= -0.028987 Density= 0.108170 ETOT(band)= -0.116446 trlgG= -0.146792 logG= -0.028987 TDE= -0.171333 logGD-logG0= -0.005195 tlogG= -0.023453 logG= -0.028648 Density= 0.108125 ETOT(band)= -0.116283 trlgG= -0.146256 logG= -0.028648 TDE= -0.171113 logGD-logG0= -0.005189 tlogG= -0.023972 logG= -0.029161 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108220 ETOT(band)= -0.116522 trlgG= -0.147071 logG= -0.029161 TDE= -0.171463 logGD-logG0= -0.004877 tlogG= -0.023710 logG= -0.028587 Density= 0.107382 ETOT(band)= -0.116616 trlgG= -0.146358 logG= -0.028587 TDE= -0.170908 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.023007 logG= -0.028159 Density= 0.108131 ETOT(band)= -0.116012 trlgG= -0.145482 logG= -0.028159 TDE= -0.170831 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004393 tlogG= -0.023993 logG= -0.028386 Density= 0.106188 ETOT(band)= -0.116998 trlgG= -0.146622 logG= -0.028386 TDE= -0.170783 logGD-logG0= -0.005040 tlogG= -0.024115 logG= -0.029155 logGD-logG0= -0.005325 tlogG= -0.024095 logG= -0.029420 Density= 0.107641 ETOT(band)= -0.116966 trlgG= -0.147475 logG= -0.029420 TDE= -0.171322 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107381 ETOT(band)= -0.116927 trlgG= -0.147100 logG= -0.029155 TDE= -0.171083 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023225 logG= -0.027894 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022196 logG= -0.027196 Density= 0.106751 ETOT(band)= -0.116506 trlgG= -0.145422 logG= -0.027894 TDE= -0.170353 Density= 0.108354 ETOT(band)= -0.115335 trlgG= -0.143930 logG= -0.027196 TDE= -0.170353 logGD-logG0= -0.005339 tlogG= -0.024107 logG= -0.029446 Density= 0.107883 ETOT(band)= -0.116877 trlgG= -0.147543 logG= -0.029446 TDE= -0.171482 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.024066 logG= -0.028655 Density= 0.106403 ETOT(band)= -0.117034 trlgG= -0.146749 logG= -0.028655 TDE= -0.170748 logGD-logG0= -0.005146 tlogG= -0.023239 logG= -0.028385 Density= 0.108188 ETOT(band)= -0.116107 trlgG= -0.145838 logG= -0.028385 TDE= -0.170990 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.023894 logG= -0.029069 logGD-logG0= -0.005357 tlogG= -0.023927 logG= -0.029284 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107749 ETOT(band)= -0.116834 trlgG= -0.147262 logG= -0.029284 TDE= -0.171298 logGD-logG0= -0.005083 tlogG= -0.022483 logG= -0.027566 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108200 ETOT(band)= -0.115640 trlgG= -0.144536 logG= -0.027566 TDE= -0.170512 Density= 0.108241 ETOT(band)= -0.116457 trlgG= -0.146922 logG= -0.029069 TDE= -0.171416 logGD-logG0= -0.005372 tlogG= -0.024153 logG= -0.029524 Density= 0.107807 ETOT(band)= -0.116964 trlgG= -0.147666 logG= -0.029524 TDE= -0.171490 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002653 tlogG= -0.011998 logG= -0.014651 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053980 ETOT(band)= -0.058368 trlgG= -0.073652 logG= -0.014651 TDE= -0.085713 logGD-logG0= -0.005333 tlogG= -0.023706 logG= -0.029039 Density= 0.107236 ETOT(band)= -0.116895 trlgG= -0.146802 logG= -0.029039 TDE= -0.170829 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.022900 logG= -0.028056 Density= 0.107619 ETOT(band)= -0.116193 trlgG= -0.145303 logG= -0.028056 TDE= -0.170502 logGD-logG0= -0.004724 tlogG= -0.023690 logG= -0.028414 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022759 logG= -0.027838 Density= 0.108243 ETOT(band)= -0.115777 trlgG= -0.144972 logG= -0.027838 TDE= -0.170698 logGD-logG0= -0.005041 tlogG= -0.023667 logG= -0.028708 logGD-logG0= -0.005177 tlogG= -0.023628 logG= -0.028805 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004780 tlogG= -0.023521 logG= -0.028301 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106785 ETOT(band)= -0.116698 trlgG= -0.145908 logG= -0.028301 TDE= -0.170450 Density= 0.108196 ETOT(band)= -0.116331 trlgG= -0.146501 logG= -0.028805 TDE= -0.171237 Density= 0.106986 ETOT(band)= -0.116819 trlgG= -0.146250 logG= -0.028708 TDE= -0.170484 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106611 ETOT(band)= -0.116842 trlgG= -0.146333 logG= -0.028414 TDE= -0.170675 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023989 logG= -0.029266 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.022873 logG= -0.027784 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107445 ETOT(band)= -0.116950 trlgG= -0.147200 logG= -0.029266 TDE= -0.171104 Density= 0.107749 ETOT(band)= -0.115990 trlgG= -0.144894 logG= -0.027784 TDE= -0.170429 logGD-logG0= -0.004755 tlogG= -0.023707 logG= -0.028462 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106984 ETOT(band)= -0.116730 trlgG= -0.146443 logG= -0.028462 TDE= -0.170921 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.023917 logG= -0.028862 logGD-logG0= -0.004928 tlogG= -0.024089 logG= -0.029017 Density= 0.107062 ETOT(band)= -0.116985 trlgG= -0.147120 logG= -0.029017 TDE= -0.171083 Density= 0.106767 ETOT(band)= -0.116999 trlgG= -0.146862 logG= -0.028862 TDE= -0.170833 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023222 logG= -0.028569 logGD-logG0= -0.004789 tlogG= -0.022873 logG= -0.027662 Density= 0.107305 ETOT(band)= -0.116128 trlgG= -0.145014 logG= -0.027662 TDE= -0.170452 Density= 0.107683 ETOT(band)= -0.116443 trlgG= -0.146113 logG= -0.028569 TDE= -0.170831 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009878 tlogG= -0.048286 logG= -0.058164 Density= 0.214410 ETOT(band)= -0.233931 trlgG= -0.294320 logG= -0.058164 TDE= -0.342257 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.023891 logG= -0.029216 Density= 0.107911 ETOT(band)= -0.116704 trlgG= -0.147159 logG= -0.029216 TDE= -0.171343 logGD-logG0= -0.009198 tlogG= -0.047672 logG= -0.056870 logGD-logG0= -0.009567 tlogG= -0.045805 logG= -0.055372 Density= 0.212956 ETOT(band)= -0.233804 trlgG= -0.292801 logG= -0.056870 TDE= -0.341312 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215028 ETOT(band)= -0.232096 trlgG= -0.289935 logG= -0.055372 TDE= -0.340970 logGD-logG0= -0.009743 tlogG= -0.047201 logG= -0.056944 Density= 0.213787 ETOT(band)= -0.233516 trlgG= -0.292736 logG= -0.056944 TDE= -0.341584 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023601 logG= -0.028963 Density= 0.107798 ETOT(band)= -0.116606 trlgG= -0.146743 logG= -0.028963 TDE= -0.171124 logGD-logG0= -0.005314 tlogG= -0.024079 logG= -0.029393 Density= 0.107942 ETOT(band)= -0.116810 trlgG= -0.147455 logG= -0.029393 TDE= -0.171477 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.047941 logG= -0.057965 logGD-logG0= -0.009517 tlogG= -0.047490 logG= -0.057007 Density= 0.214324 ETOT(band)= -0.233353 trlgG= -0.292873 logG= -0.057007 TDE= -0.341925 logGD-logG0= -0.010599 tlogG= -0.047792 logG= -0.058391 Density= 0.214762 ETOT(band)= -0.233861 trlgG= -0.294151 logG= -0.058391 TDE= -0.342035 logGD-logG0= -0.009623 tlogG= -0.047976 logG= -0.057600 Density= 0.213984 ETOT(band)= -0.233964 trlgG= -0.294002 logG= -0.057965 TDE= -0.341927 Density= 0.213297 ETOT(band)= -0.234019 trlgG= -0.293444 logG= -0.057600 TDE= -0.341394 logGD-logG0= -0.009899 tlogG= -0.047201 logG= -0.057100 Density= 0.213798 ETOT(band)= -0.233561 trlgG= -0.292529 logG= -0.057100 TDE= -0.341227 logGD-logG0= -0.010401 tlogG= -0.048027 logG= -0.058428 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215074 ETOT(band)= -0.233773 trlgG= -0.294249 logG= -0.058428 TDE= -0.342251 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010146 tlogG= -0.048073 logG= -0.058219 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214539 ETOT(band)= -0.233880 trlgG= -0.294072 logG= -0.058219 TDE= -0.342018 logGD-logG0= -0.010463 tlogG= -0.047832 logG= -0.058295 logGD-logG0= -0.010554 tlogG= -0.048127 logG= -0.058682 Density= 0.214663 ETOT(band)= -0.233853 trlgG= -0.293981 logG= -0.058295 TDE= -0.341912 Density= 0.215072 ETOT(band)= -0.233918 trlgG= -0.294666 logG= -0.058682 TDE= -0.342412 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010634 tlogG= -0.048062 logG= -0.058697 Density= 0.215108 ETOT(band)= -0.233910 trlgG= -0.294693 logG= -0.058697 TDE= -0.342442 logGD-logG0= -0.009845 tlogG= -0.045633 logG= -0.055479 Density= 0.214382 ETOT(band)= -0.232438 trlgG= -0.290104 logG= -0.055479 TDE= -0.340713 logGD-logG0= -0.001707 tlogG= -0.007311 logG= -0.009018 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035846 ETOT(band)= -0.038541 trlgG= -0.047898 logG= -0.009018 TDE= -0.056618 logGD-logG0= -0.010259 tlogG= -0.047706 logG= -0.057965 logGD-logG0= -0.010700 tlogG= -0.047571 logG= -0.058270 logGD-logG0= -0.010626 tlogG= -0.047983 logG= -0.058609 Density= 0.215888 ETOT(band)= -0.233492 trlgG= -0.294612 logG= -0.058609 TDE= -0.342835 Density= 0.213965 ETOT(band)= -0.233951 trlgG= -0.293755 logG= -0.057965 TDE= -0.341670 Density= 0.215695 ETOT(band)= -0.233373 trlgG= -0.294048 logG= -0.058270 TDE= -0.342514 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009950 tlogG= -0.045696 logG= -0.055646 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215159 ETOT(band)= -0.232174 trlgG= -0.289929 logG= -0.055646 TDE= -0.340755 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047358 logG= -0.057842 logGD-logG0= -0.010655 tlogG= -0.047473 logG= -0.058128 Density= 0.214274 ETOT(band)= -0.233748 trlgG= -0.293233 logG= -0.057842 TDE= -0.341424 Density= 0.215465 ETOT(band)= -0.233411 trlgG= -0.293804 logG= -0.058128 TDE= -0.342299 logGD-logG0= -0.010260 tlogG= -0.046461 logG= -0.056721 Density= 0.215220 ETOT(band)= -0.232739 trlgG= -0.291560 logG= -0.056721 TDE= -0.341340 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010746 tlogG= -0.048195 logG= -0.058941 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010697 tlogG= -0.046931 logG= -0.057628 Density= 0.215429 ETOT(band)= -0.233133 trlgG= -0.293005 logG= -0.057628 TDE= -0.341981 Density= 0.215419 ETOT(band)= -0.233939 trlgG= -0.295133 logG= -0.058941 TDE= -0.342793 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010680 tlogG= -0.047931 logG= -0.058612 Density= 0.215761 ETOT(band)= -0.233563 trlgG= -0.294612 logG= -0.058612 TDE= -0.342770 logGD-logG0= -0.009872 tlogG= -0.047268 logG= -0.057140 Density= 0.214489 ETOT(band)= -0.233317 trlgG= -0.292650 logG= -0.057140 TDE= -0.341650 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010172 tlogG= -0.047200 logG= -0.057372 Density= 0.215154 ETOT(band)= -0.233140 trlgG= -0.292575 logG= -0.057372 TDE= -0.341672 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002488 tlogG= -0.010852 logG= -0.013340 Density= 0.054063 ETOT(band)= -0.057541 trlgG= -0.071528 logG= -0.013340 TDE= -0.084941 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005036 tlogG= -0.021901 logG= -0.026938 Density= 0.108320 ETOT(band)= -0.115150 trlgG= -0.143482 logG= -0.026938 TDE= -0.170146 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004870 tlogG= -0.021017 logG= -0.025887 Density= 0.108702 ETOT(band)= -0.114200 trlgG= -0.141652 logG= -0.025887 TDE= -0.169556 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005059 tlogG= -0.021717 logG= -0.026777 Density= 0.107934 ETOT(band)= -0.115242 trlgG= -0.143229 logG= -0.026777 TDE= -0.169863 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010113 tlogG= -0.043437 logG= -0.053550 Density= 0.216276 ETOT(band)= -0.230277 trlgG= -0.286439 logG= -0.053550 TDE= -0.339914 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001447 tlogG= -0.007971 logG= -0.009418 Density= 0.070879 ETOT(band)= -0.077871 trlgG= -0.097423 logG= -0.009418 TDE= -0.056922 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004340 tlogG= -0.024150 logG= -0.028490 Density= 0.212210 ETOT(band)= -0.234132 trlgG= -0.293593 logG= -0.028490 TDE= -0.170859 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022927 logG= -0.027936 Density= 0.214811 ETOT(band)= -0.232192 trlgG= -0.289626 logG= -0.027936 TDE= -0.170316 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001708 tlogG= -0.007126 logG= -0.008833 Density= 0.072228 ETOT(band)= -0.076418 trlgG= -0.094830 logG= -0.008833 TDE= -0.056586 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004992 tlogG= -0.022314 logG= -0.027306 Density= 0.214283 ETOT(band)= -0.232225 trlgG= -0.289371 logG= -0.027306 TDE= -0.170051 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.022493 logG= -0.027455 Density= 0.215037 ETOT(band)= -0.231457 trlgG= -0.287985 logG= -0.027455 TDE= -0.170064 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001216 tlogG= -0.005314 logG= -0.006530 Density= 0.081552 ETOT(band)= -0.085621 trlgG= -0.106201 logG= -0.006530 TDE= -0.042434 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005123 tlogG= -0.021905 logG= -0.027028 Density= 0.216621 ETOT(band)= -0.230099 trlgG= -0.286448 logG= -0.027028 TDE= -0.170114 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001289 tlogG= -0.005945 logG= -0.007234 Density= 0.080830 ETOT(band)= -0.087574 trlgG= -0.110341 logG= -0.007234 TDE= -0.042837 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005754 logG= -0.007023 Density= 0.080638 ETOT(band)= -0.087320 trlgG= -0.109588 logG= -0.007023 TDE= -0.042718 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005861 logG= -0.007145 Density= 0.080649 ETOT(band)= -0.087536 trlgG= -0.110143 logG= -0.007145 TDE= -0.042783 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005989 logG= -0.007277 Density= 0.081056 ETOT(band)= -0.087480 trlgG= -0.110397 logG= -0.007277 TDE= -0.042867 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005626 logG= -0.006874 Density= 0.080839 ETOT(band)= -0.086893 trlgG= -0.108588 logG= -0.006874 TDE= -0.042642 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.024022 logG= -0.029293 Density= 0.215679 ETOT(band)= -0.233662 trlgG= -0.294765 logG= -0.029293 TDE= -0.171460 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023508 logG= -0.028800 Density= 0.215217 ETOT(band)= -0.233126 trlgG= -0.292847 logG= -0.028800 TDE= -0.171051 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023820 logG= -0.029124 Density= 0.215332 ETOT(band)= -0.233563 trlgG= -0.294111 logG= -0.029124 TDE= -0.171307 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.024021 logG= -0.029255 Density= 0.216341 ETOT(band)= -0.233153 trlgG= -0.294300 logG= -0.029255 TDE= -0.171478 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004814 tlogG= -0.024027 logG= -0.028841 Density= 0.321581 ETOT(band)= -0.350790 trlgG= -0.441236 logG= -0.028841 TDE= -0.171109 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.024142 logG= -0.029505 Density= 0.215711 ETOT(band)= -0.233818 trlgG= -0.295179 logG= -0.029505 TDE= -0.171490 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010498 tlogG= -0.047829 logG= -0.058327 Density= 0.324332 ETOT(band)= -0.349632 trlgG= -0.440946 logG= -0.058327 TDE= -0.342795 logGD-logG0= -0.004726 tlogG= -0.023389 logG= -0.028115 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321655 ETOT(band)= -0.349741 trlgG= -0.438660 logG= -0.028115 TDE= -0.170784 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.023437 logG= -0.028690 logGD-logG0= -0.005116 tlogG= -0.023868 logG= -0.028984 Density= 0.216189 ETOT(band)= -0.232469 trlgG= -0.292156 logG= -0.028690 TDE= -0.171072 logGD-logG0= -0.005227 tlogG= -0.023978 logG= -0.029205 Density= 0.215492 ETOT(band)= -0.233561 trlgG= -0.294212 logG= -0.028984 TDE= -0.170994 Density= 0.216375 ETOT(band)= -0.233049 trlgG= -0.294069 logG= -0.029205 TDE= -0.171451 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004474 tlogG= -0.023759 logG= -0.028233 logGD-logG0= -0.001198 tlogG= -0.005178 logG= -0.006376 Density= 0.062545 ETOT(band)= -0.067482 trlgG= -0.084189 logG= -0.006376 TDE= -0.042332 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213119 ETOT(band)= -0.233355 trlgG= -0.291680 logG= -0.028233 TDE= -0.170662 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004530 tlogG= -0.023605 logG= -0.028135 Density= 0.212655 ETOT(band)= -0.233757 trlgG= -0.292650 logG= -0.028135 TDE= -0.170577 logGD-logG0= -0.005160 tlogG= -0.022465 logG= -0.027625 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216365 ETOT(band)= -0.231096 trlgG= -0.288559 logG= -0.027625 TDE= -0.170453 logGD-logG0= -0.004642 tlogG= -0.023911 logG= -0.028553 Density= 0.213309 ETOT(band)= -0.233634 trlgG= -0.292416 logG= -0.028553 TDE= -0.170667 logGD-logG0= -0.010542 tlogG= -0.047279 logG= -0.057821 Density= 0.324119 ETOT(band)= -0.349262 trlgG= -0.439596 logG= -0.057821 TDE= -0.342404 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.023978 logG= -0.029097 logGD-logG0= -0.005223 tlogG= -0.022992 logG= -0.028215 Density= 0.216219 ETOT(band)= -0.231894 trlgG= -0.290541 logG= -0.028215 TDE= -0.170786 logGD-logG0= -0.010775 tlogG= -0.048086 logG= -0.058860 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323240 ETOT(band)= -0.350689 trlgG= -0.442270 logG= -0.058860 TDE= -0.342783 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214351 ETOT(band)= -0.233883 trlgG= -0.293839 logG= -0.029097 TDE= -0.170946 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001597 tlogG= -0.006883 logG= -0.008480 Density= 0.040844 ETOT(band)= -0.042641 trlgG= -0.052795 logG= -0.008480 TDE= -0.056426 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004954 tlogG= -0.023906 logG= -0.028861 logGD-logG0= -0.005247 tlogG= -0.023784 logG= -0.029030 Density= 0.216266 ETOT(band)= -0.232850 trlgG= -0.293363 logG= -0.029030 TDE= -0.171310 Density= 0.213807 ETOT(band)= -0.233790 trlgG= -0.292925 logG= -0.028861 TDE= -0.170675 logGD-logG0= -0.005086 tlogG= -0.024184 logG= -0.029269 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023993 logG= -0.028610 Density= 0.212839 ETOT(band)= -0.234038 trlgG= -0.293405 logG= -0.028610 TDE= -0.170716 logGD-logG0= -0.005060 tlogG= -0.024178 logG= -0.029238 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322444 ETOT(band)= -0.350915 trlgG= -0.441917 logG= -0.029269 TDE= -0.171115 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214746 ETOT(band)= -0.233960 trlgG= -0.294460 logG= -0.029238 TDE= -0.171120 logGD-logG0= -0.004824 tlogG= -0.023265 logG= -0.028089 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213524 ETOT(band)= -0.233390 trlgG= -0.292143 logG= -0.028089 TDE= -0.170627 logGD-logG0= -0.005289 tlogG= -0.024108 logG= -0.029397 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323057 ETOT(band)= -0.350895 trlgG= -0.442569 logG= -0.029397 TDE= -0.171303 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010536 tlogG= -0.046461 logG= -0.056997 Density= 0.323989 ETOT(band)= -0.348602 trlgG= -0.437510 logG= -0.056997 TDE= -0.341849 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023977 logG= -0.029373 Density= 0.323650 ETOT(band)= -0.350368 trlgG= -0.442022 logG= -0.029373 TDE= -0.171363 logGD-logG0= -0.005209 tlogG= -0.023219 logG= -0.028428 Density= 0.214878 ETOT(band)= -0.232748 trlgG= -0.291154 logG= -0.028428 TDE= -0.170500 logGD-logG0= -0.005411 tlogG= -0.023918 logG= -0.029329 logGD-logG0= -0.004781 tlogG= -0.024027 logG= -0.028808 Density= 0.214134 ETOT(band)= -0.233870 trlgG= -0.294057 logG= -0.028808 TDE= -0.171113 Density= 0.215640 ETOT(band)= -0.233564 trlgG= -0.294493 logG= -0.029329 TDE= -0.171314 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.045681 logG= -0.055939 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324041 ETOT(band)= -0.347657 trlgG= -0.434893 logG= -0.055939 TDE= -0.341227 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.023269 logG= -0.028340 Density= 0.321719 ETOT(band)= -0.350250 trlgG= -0.439510 logG= -0.028340 TDE= -0.170738 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004694 tlogG= -0.023392 logG= -0.028086 logGD-logG0= -0.009767 tlogG= -0.046650 logG= -0.056417 logGD-logG0= -0.004876 tlogG= -0.023856 logG= -0.028732 Density= 0.213594 ETOT(band)= -0.233925 trlgG= -0.293661 logG= -0.028732 TDE= -0.170930 Density= 0.322716 ETOT(band)= -0.348708 trlgG= -0.436315 logG= -0.056417 TDE= -0.341380 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214200 ETOT(band)= -0.233157 trlgG= -0.292265 logG= -0.028086 TDE= -0.170792 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.007595 logG= -0.009182 logGD-logG0= -0.009036 tlogG= -0.048135 logG= -0.057172 Density= 0.425598 ETOT(band)= -0.467874 trlgG= -0.586292 logG= -0.057172 TDE= -0.341545 Density= 0.071504 ETOT(band)= -0.077276 trlgG= -0.096133 logG= -0.009182 TDE= -0.056698 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.048191 logG= -0.058418 Density= 0.429313 ETOT(band)= -0.467852 trlgG= -0.588478 logG= -0.058418 TDE= -0.342080 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005474 tlogG= -0.023381 logG= -0.028854 Density= 0.215111 ETOT(band)= -0.233151 trlgG= -0.292650 logG= -0.028854 TDE= -0.170844 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005459 tlogG= -0.023704 logG= -0.029163 logGD-logG0= -0.009587 tlogG= -0.046650 logG= -0.056237 Density= 0.215406 ETOT(band)= -0.233413 trlgG= -0.293793 logG= -0.029163 TDE= -0.171137 Density= 0.428134 ETOT(band)= -0.466417 trlgG= -0.584305 logG= -0.056237 TDE= -0.341402 logGD-logG0= -0.009723 tlogG= -0.047881 logG= -0.057604 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428066 ETOT(band)= -0.467722 trlgG= -0.587698 logG= -0.057604 TDE= -0.342031 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.021328 logG= -0.026280 logGD-logG0= -0.010568 tlogG= -0.048118 logG= -0.058686 Density= 0.162640 ETOT(band)= -0.172849 trlgG= -0.215890 logG= -0.026280 TDE= -0.169771 Density= 0.430145 ETOT(band)= -0.467696 trlgG= -0.588919 logG= -0.058686 TDE= -0.342412 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009899 tlogG= -0.047897 logG= -0.057796 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010394 tlogG= -0.048000 logG= -0.058395 Density= 0.429218 ETOT(band)= -0.467812 trlgG= -0.588116 logG= -0.058395 TDE= -0.341913 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.047713 logG= -0.058046 Density= 0.429151 ETOT(band)= -0.467512 trlgG= -0.587689 logG= -0.057796 TDE= -0.342021 logGD-logG0= -0.010359 tlogG= -0.048267 logG= -0.058625 Density= 0.430039 ETOT(band)= -0.467865 trlgG= -0.589245 logG= -0.058625 TDE= -0.342286 Density= 0.428318 ETOT(band)= -0.467710 trlgG= -0.587031 logG= -0.058046 TDE= -0.341672 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010848 tlogG= -0.047733 logG= -0.058581 Density= 0.431083 ETOT(band)= -0.467076 trlgG= -0.588581 logG= -0.058581 TDE= -0.342537 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010736 tlogG= -0.047778 logG= -0.058514 Density= 0.430746 ETOT(band)= -0.467128 trlgG= -0.588216 logG= -0.058514 TDE= -0.342430 logGD-logG0= -0.009530 tlogG= -0.046754 logG= -0.056284 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009725 tlogG= -0.047696 logG= -0.057421 Density= 0.426719 ETOT(band)= -0.467917 trlgG= -0.586813 logG= -0.057421 TDE= -0.341560 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427938 ETOT(band)= -0.465691 trlgG= -0.581695 logG= -0.056284 TDE= -0.340984 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009679 tlogG= -0.047815 logG= -0.057494 Density= 0.427219 ETOT(band)= -0.467473 trlgG= -0.585674 logG= -0.057494 TDE= -0.341263 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010397 tlogG= -0.046977 logG= -0.057374 Density= 0.429893 ETOT(band)= -0.466065 trlgG= -0.584085 logG= -0.057374 TDE= -0.341383 logGD-logG0= -0.010795 tlogG= -0.047317 logG= -0.058112 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430482 ETOT(band)= -0.466700 trlgG= -0.586743 logG= -0.058112 TDE= -0.342046 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010014 tlogG= -0.046444 logG= -0.056459 Density= 0.429555 ETOT(band)= -0.465142 trlgG= -0.581393 logG= -0.056459 TDE= -0.341100 logGD-logG0= -0.010773 tlogG= -0.048058 logG= -0.058831 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010079 tlogG= -0.047602 logG= -0.057681 Density= 0.428633 ETOT(band)= -0.467057 trlgG= -0.586079 logG= -0.057681 TDE= -0.341718 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431319 ETOT(band)= -0.467361 trlgG= -0.589575 logG= -0.058831 TDE= -0.342801 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010322 tlogG= -0.047616 logG= -0.057938 Density= 0.430017 ETOT(band)= -0.466714 trlgG= -0.586014 logG= -0.057938 TDE= -0.341826 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.022350 logG= -0.027230 Density= 0.322886 ETOT(band)= -0.347677 trlgG= -0.433925 logG= -0.027230 TDE= -0.170134 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010054 tlogG= -0.044671 logG= -0.054725 Density= 0.324285 ETOT(band)= -0.346388 trlgG= -0.431889 logG= -0.054725 TDE= -0.340552 logGD-logG0= -0.001236 tlogG= -0.005475 logG= -0.006710 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081198 ETOT(band)= -0.086284 trlgG= -0.107356 logG= -0.006710 TDE= -0.042545 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004839 tlogG= -0.022349 logG= -0.027189 Density= 0.215040 ETOT(band)= -0.231747 trlgG= -0.289028 logG= -0.027189 TDE= -0.170139 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005034 tlogG= -0.021378 logG= -0.026412 Density= 0.217011 ETOT(band)= -0.228996 trlgG= -0.284251 logG= -0.026412 TDE= -0.169784 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004993 tlogG= -0.021233 logG= -0.026226 Density= 0.216345 ETOT(band)= -0.229849 trlgG= -0.285498 logG= -0.026226 TDE= -0.169690 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009905 tlogG= -0.044670 logG= -0.054575 Density= 0.431616 ETOT(band)= -0.461689 trlgG= -0.574638 logG= -0.054575 TDE= -0.340186 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.534200714198 eV TrLogG= -407.185150901158 eV Ratio to renormalize= 1.000000746667 rho-rho_expected=-0.000016426652 nargs= 1 argi=dmft2.def 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964403246974443 0.939919179432050 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002348 tlogG= -0.011897 logG= -0.014245 Density= 0.053567 ETOT(band)= -0.058352 trlgG= -0.073253 logG= -0.014245 TDE= -0.085516 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004588 tlogG= -0.024071 logG= -0.028659 Density= 0.106406 ETOT(band)= -0.117047 trlgG= -0.146767 logG= -0.028659 TDE= -0.170764 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023711 logG= -0.029043 Density= 0.107240 ETOT(band)= -0.116907 trlgG= -0.146821 logG= -0.029043 TDE= -0.170846 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023246 logG= -0.028389 Density= 0.108193 ETOT(band)= -0.116119 trlgG= -0.145855 logG= -0.028389 TDE= -0.171006 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.023921 logG= -0.028867 Density= 0.106770 ETOT(band)= -0.117012 trlgG= -0.146880 logG= -0.028867 TDE= -0.170849 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023227 logG= -0.028572 Density= 0.107687 ETOT(band)= -0.116455 trlgG= -0.146130 logG= -0.028572 TDE= -0.170847 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000854 logG= -0.001052 Density= 0.004543 ETOT(band)= -0.004730 trlgG= -0.005852 logG= -0.001052 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002625 tlogG= -0.012046 logG= -0.014671 Density= 0.053765 ETOT(band)= -0.058488 trlgG= -0.073673 logG= -0.014671 TDE= -0.085608 logGD-logG0= -0.001420 tlogG= -0.008052 logG= -0.009472 Density= 0.035321 ETOT(band)= -0.039039 trlgG= -0.048959 logG= -0.009472 TDE= -0.056966 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001501 tlogG= -0.007819 logG= -0.009320 Density= 0.035499 ETOT(band)= -0.038890 trlgG= -0.048597 logG= -0.009320 TDE= -0.056843 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002443 tlogG= -0.012095 logG= -0.014538 logGD-logG0= -0.004392 tlogG= -0.023998 logG= -0.028390 Density= 0.106191 ETOT(band)= -0.117012 trlgG= -0.146641 logG= -0.028390 TDE= -0.170799 Density= 0.053588 ETOT(band)= -0.058497 trlgG= -0.073616 logG= -0.014538 TDE= -0.085596 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002356 tlogG= -0.011461 logG= -0.013817 Density= 0.053741 ETOT(band)= -0.058023 trlgG= -0.072491 logG= -0.013817 TDE= -0.085267 logGD-logG0= -0.004669 tlogG= -0.023230 logG= -0.027898 logGD-logG0= -0.002652 tlogG= -0.012001 logG= -0.014653 Density= 0.106754 ETOT(band)= -0.116519 trlgG= -0.145440 logG= -0.027898 TDE= -0.170369 Density= 0.053983 ETOT(band)= -0.058374 trlgG= -0.073661 logG= -0.014653 TDE= -0.085721 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.022437 logG= -0.027495 logGD-logG0= -0.004365 tlogG= -0.024075 logG= -0.028440 Density= 0.107643 ETOT(band)= -0.115871 trlgG= -0.144425 logG= -0.027495 TDE= -0.170198 Density= 0.106139 ETOT(band)= -0.117055 trlgG= -0.146754 logG= -0.028440 TDE= -0.170837 logGD-logG0= -0.005081 tlogG= -0.022488 logG= -0.027569 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108204 ETOT(band)= -0.115651 trlgG= -0.144553 logG= -0.027569 TDE= -0.170528 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.023978 logG= -0.029164 Density= 0.108225 ETOT(band)= -0.116533 trlgG= -0.147088 logG= -0.029164 TDE= -0.171479 logGD-logG0= -0.005198 tlogG= -0.023792 logG= -0.028990 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.022202 logG= -0.027200 Density= 0.108358 ETOT(band)= -0.115347 trlgG= -0.143947 logG= -0.027200 TDE= -0.170368 Density= 0.108175 ETOT(band)= -0.116458 trlgG= -0.146809 logG= -0.028990 TDE= -0.171349 logGD-logG0= -0.005193 tlogG= -0.023459 logG= -0.028652 Density= 0.108129 ETOT(band)= -0.116295 trlgG= -0.146273 logG= -0.028652 TDE= -0.171129 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023013 logG= -0.028162 logGD-logG0= -0.002583 tlogG= -0.011998 logG= -0.014581 Density= 0.108135 ETOT(band)= -0.116024 trlgG= -0.145499 logG= -0.028162 TDE= -0.170847 Density= 0.054136 ETOT(band)= -0.058255 trlgG= -0.073542 logG= -0.014581 TDE= -0.085750 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023671 logG= -0.028712 logGD-logG0= -0.005369 tlogG= -0.024160 logG= -0.029528 logGD-logG0= -0.005039 tlogG= -0.024120 logG= -0.029159 Density= 0.106990 ETOT(band)= -0.116832 trlgG= -0.146268 logG= -0.028712 TDE= -0.170500 Density= 0.107811 ETOT(band)= -0.116976 trlgG= -0.147684 logG= -0.029528 TDE= -0.171506 Density= 0.107385 ETOT(band)= -0.116940 trlgG= -0.147117 logG= -0.029159 TDE= -0.171098 logGD-logG0= -0.005173 tlogG= -0.023900 logG= -0.029073 Density= 0.108246 ETOT(band)= -0.116469 trlgG= -0.146939 logG= -0.029073 TDE= -0.171432 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.023526 logG= -0.028305 Density= 0.106789 ETOT(band)= -0.116711 trlgG= -0.145926 logG= -0.028305 TDE= -0.170466 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.022878 logG= -0.027788 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.024114 logG= -0.029450 Density= 0.107753 ETOT(band)= -0.116002 trlgG= -0.144911 logG= -0.027788 TDE= -0.170445 logGD-logG0= -0.005275 tlogG= -0.023994 logG= -0.029269 Density= 0.107888 ETOT(band)= -0.116889 trlgG= -0.147560 logG= -0.029450 TDE= -0.171499 logGD-logG0= -0.005175 tlogG= -0.023634 logG= -0.028809 Density= 0.108201 ETOT(band)= -0.116342 trlgG= -0.146518 logG= -0.028809 TDE= -0.171253 Density= 0.107449 ETOT(band)= -0.116962 trlgG= -0.147218 logG= -0.029269 TDE= -0.171120 logGD-logG0= -0.005356 tlogG= -0.023932 logG= -0.029288 Density= 0.107753 ETOT(band)= -0.116846 trlgG= -0.147280 logG= -0.029288 TDE= -0.171314 logGD-logG0= -0.005077 tlogG= -0.022765 logG= -0.027841 logGD-logG0= -0.004876 tlogG= -0.023716 logG= -0.028591 Density= 0.107386 ETOT(band)= -0.116629 trlgG= -0.146376 logG= -0.028591 TDE= -0.170924 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108248 ETOT(band)= -0.115789 trlgG= -0.144989 logG= -0.027841 TDE= -0.170714 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023694 logG= -0.028418 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106614 ETOT(band)= -0.116855 trlgG= -0.146351 logG= -0.028418 TDE= -0.170691 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001707 tlogG= -0.007313 logG= -0.009019 Density= 0.035847 ETOT(band)= -0.038545 trlgG= -0.047904 logG= -0.009019 TDE= -0.056624 logGD-logG0= -0.005155 tlogG= -0.022905 logG= -0.028060 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005311 tlogG= -0.024085 logG= -0.029397 logGD-logG0= -0.004926 tlogG= -0.024095 logG= -0.029021 Density= 0.107946 ETOT(band)= -0.116822 trlgG= -0.147473 logG= -0.029397 TDE= -0.171494 Density= 0.107623 ETOT(band)= -0.116205 trlgG= -0.145321 logG= -0.028060 TDE= -0.170517 Density= 0.107066 ETOT(band)= -0.116997 trlgG= -0.147139 logG= -0.029021 TDE= -0.171099 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001639 tlogG= -0.007003 logG= -0.008642 Density= 0.036195 ETOT(band)= -0.038100 trlgG= -0.047248 logG= -0.008642 TDE= -0.056517 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005322 tlogG= -0.023898 logG= -0.029220 Density= 0.107916 ETOT(band)= -0.116716 trlgG= -0.147177 logG= -0.029220 TDE= -0.171359 logGD-logG0= -0.004787 tlogG= -0.022879 logG= -0.027666 Density= 0.107308 ETOT(band)= -0.116141 trlgG= -0.145032 logG= -0.027666 TDE= -0.170467 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009197 tlogG= -0.047682 logG= -0.056878 logGD-logG0= -0.009564 tlogG= -0.045816 logG= -0.055379 Density= 0.212962 ETOT(band)= -0.233830 trlgG= -0.292838 logG= -0.056878 TDE= -0.341344 Density= 0.215036 ETOT(band)= -0.232121 trlgG= -0.289970 logG= -0.055379 TDE= -0.341001 logGD-logG0= -0.005359 tlogG= -0.023607 logG= -0.028966 Density= 0.107802 ETOT(band)= -0.116618 trlgG= -0.146761 logG= -0.028966 TDE= -0.171140 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010020 tlogG= -0.047953 logG= -0.057973 Density= 0.213991 ETOT(band)= -0.233990 trlgG= -0.294038 logG= -0.057973 TDE= -0.341959 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009740 tlogG= -0.047212 logG= -0.056952 Density= 0.213794 ETOT(band)= -0.233541 trlgG= -0.292772 logG= -0.056952 TDE= -0.341616 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009842 tlogG= -0.045645 logG= -0.055486 logGD-logG0= -0.009898 tlogG= -0.047210 logG= -0.057108 Density= 0.213805 ETOT(band)= -0.233586 trlgG= -0.292565 logG= -0.057108 TDE= -0.341258 Density= 0.214389 ETOT(band)= -0.232463 trlgG= -0.290140 logG= -0.055486 TDE= -0.340744 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009514 tlogG= -0.047501 logG= -0.057015 logGD-logG0= -0.010596 tlogG= -0.047803 logG= -0.058399 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214332 ETOT(band)= -0.233379 trlgG= -0.292909 logG= -0.057015 TDE= -0.341956 Density= 0.214771 ETOT(band)= -0.233885 trlgG= -0.294188 logG= -0.058399 TDE= -0.342068 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009623 tlogG= -0.047985 logG= -0.057608 Density= 0.213303 ETOT(band)= -0.234045 trlgG= -0.293481 logG= -0.057608 TDE= -0.341426 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.048073 logG= -0.058704 Density= 0.215116 ETOT(band)= -0.233934 trlgG= -0.294729 logG= -0.058704 TDE= -0.342475 logGD-logG0= -0.010460 tlogG= -0.047843 logG= -0.058303 Density= 0.214671 ETOT(band)= -0.233878 trlgG= -0.294017 logG= -0.058303 TDE= -0.341945 logGD-logG0= -0.010551 tlogG= -0.048138 logG= -0.058689 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215080 ETOT(band)= -0.233943 trlgG= -0.294702 logG= -0.058689 TDE= -0.342445 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010621 tlogG= -0.047996 logG= -0.058617 logGD-logG0= -0.004753 tlogG= -0.023713 logG= -0.028466 Density= 0.106988 ETOT(band)= -0.116743 trlgG= -0.146461 logG= -0.028466 TDE= -0.170937 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215897 ETOT(band)= -0.233516 trlgG= -0.294648 logG= -0.058617 TDE= -0.342867 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010257 tlogG= -0.047716 logG= -0.057973 Density= 0.213972 ETOT(band)= -0.233976 trlgG= -0.293791 logG= -0.057973 TDE= -0.341702 logGD-logG0= -0.010694 tlogG= -0.047584 logG= -0.058278 Density= 0.215704 ETOT(band)= -0.233397 trlgG= -0.294083 logG= -0.058278 TDE= -0.342547 logGD-logG0= -0.010143 tlogG= -0.048084 logG= -0.058227 Density= 0.214547 ETOT(band)= -0.233905 trlgG= -0.294108 logG= -0.058227 TDE= -0.342049 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.047367 logG= -0.057850 Density= 0.214282 ETOT(band)= -0.233773 trlgG= -0.293269 logG= -0.057850 TDE= -0.341456 logGD-logG0= -0.010257 tlogG= -0.046472 logG= -0.056729 Density= 0.215228 ETOT(band)= -0.232763 trlgG= -0.291595 logG= -0.056729 TDE= -0.341372 logGD-logG0= -0.009946 tlogG= -0.045707 logG= -0.055653 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215166 ETOT(band)= -0.232198 trlgG= -0.289964 logG= -0.055653 TDE= -0.340786 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010743 tlogG= -0.048205 logG= -0.058949 Density= 0.215428 ETOT(band)= -0.233963 trlgG= -0.295169 logG= -0.058949 TDE= -0.342825 logGD-logG0= -0.010653 tlogG= -0.047483 logG= -0.058136 Density= 0.215474 ETOT(band)= -0.233435 trlgG= -0.293840 logG= -0.058136 TDE= -0.342332 logGD-logG0= -0.009868 tlogG= -0.047279 logG= -0.057148 logGD-logG0= -0.010695 tlogG= -0.046941 logG= -0.057636 Density= 0.214496 ETOT(band)= -0.233342 trlgG= -0.292685 logG= -0.057148 TDE= -0.341681 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215438 ETOT(band)= -0.233157 trlgG= -0.293040 logG= -0.057636 TDE= -0.342014 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010675 tlogG= -0.047944 logG= -0.058619 logGD-logG0= -0.002487 tlogG= -0.010855 logG= -0.013342 Density= 0.054065 ETOT(band)= -0.057547 trlgG= -0.071537 logG= -0.013342 TDE= -0.084949 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215770 ETOT(band)= -0.233587 trlgG= -0.294647 logG= -0.058619 TDE= -0.342802 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010169 tlogG= -0.047211 logG= -0.057380 Density= 0.215162 ETOT(band)= -0.233164 trlgG= -0.292611 logG= -0.057380 TDE= -0.341704 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.021846 logG= -0.026962 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107796 ETOT(band)= -0.115444 trlgG= -0.143553 logG= -0.026962 TDE= -0.169934 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004948 tlogG= -0.021597 logG= -0.026545 Density= 0.108512 ETOT(band)= -0.114797 trlgG= -0.142821 logG= -0.026545 TDE= -0.169974 logGD-logG0= -0.004868 tlogG= -0.021023 logG= -0.025891 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108706 ETOT(band)= -0.114212 trlgG= -0.141668 logG= -0.025891 TDE= -0.169571 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004756 tlogG= -0.023014 logG= -0.027770 Density= 0.106888 ETOT(band)= -0.116389 trlgG= -0.145178 logG= -0.027770 TDE= -0.170302 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002425 tlogG= -0.010443 logG= -0.012868 Density= 0.054376 ETOT(band)= -0.057033 trlgG= -0.070695 logG= -0.012868 TDE= -0.084734 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.043447 logG= -0.053556 Density= 0.216284 ETOT(band)= -0.230301 trlgG= -0.286473 logG= -0.053556 TDE= -0.339944 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001269 tlogG= -0.005755 logG= -0.007024 Density= 0.080641 ETOT(band)= -0.087329 trlgG= -0.109601 logG= -0.007024 TDE= -0.042722 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.023983 logG= -0.029101 Density= 0.214359 ETOT(band)= -0.233908 trlgG= -0.293876 logG= -0.029101 TDE= -0.170962 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023998 logG= -0.028614 Density= 0.212845 ETOT(band)= -0.234065 trlgG= -0.293441 logG= -0.028614 TDE= -0.170731 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023444 logG= -0.028693 Density= 0.216198 ETOT(band)= -0.232492 trlgG= -0.292190 logG= -0.028693 TDE= -0.171088 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.023862 logG= -0.028736 Density= 0.213600 ETOT(band)= -0.233951 trlgG= -0.293698 logG= -0.028736 TDE= -0.170946 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005473 tlogG= -0.023385 logG= -0.028858 Density= 0.215119 ETOT(band)= -0.233176 trlgG= -0.292686 logG= -0.028858 TDE= -0.170860 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024100 logG= -0.029424 Density= 0.107645 ETOT(band)= -0.116978 trlgG= -0.147494 logG= -0.029424 TDE= -0.171338 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010398 tlogG= -0.048038 logG= -0.058436 Density= 0.215083 ETOT(band)= -0.233797 trlgG= -0.294286 logG= -0.058436 TDE= -0.342284 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023764 logG= -0.028237 Density= 0.213125 ETOT(band)= -0.233381 trlgG= -0.291717 logG= -0.028237 TDE= -0.170678 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001596 tlogG= -0.006885 logG= -0.008481 Density= 0.040846 ETOT(band)= -0.042645 trlgG= -0.052801 logG= -0.008481 TDE= -0.056431 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005180 logG= -0.006377 Density= 0.062547 ETOT(band)= -0.067489 trlgG= -0.084200 logG= -0.006377 TDE= -0.042336 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.022931 logG= -0.027940 Density= 0.214818 ETOT(band)= -0.232216 trlgG= -0.289661 logG= -0.027940 TDE= -0.170332 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.007596 logG= -0.009183 Density= 0.071506 ETOT(band)= -0.077285 trlgG= -0.096144 logG= -0.009183 TDE= -0.056703 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.021907 logG= -0.026941 Density= 0.108324 ETOT(band)= -0.115162 trlgG= -0.143499 logG= -0.026941 TDE= -0.170162 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001283 tlogG= -0.005863 logG= -0.007146 Density= 0.080652 ETOT(band)= -0.087545 trlgG= -0.110156 logG= -0.007146 TDE= -0.042787 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001288 tlogG= -0.005946 logG= -0.007234 Density= 0.080833 ETOT(band)= -0.087583 trlgG= -0.110354 logG= -0.007234 TDE= -0.042841 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001446 tlogG= -0.007973 logG= -0.009419 Density= 0.070881 ETOT(band)= -0.077879 trlgG= -0.097435 logG= -0.009419 TDE= -0.056928 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004529 tlogG= -0.023610 logG= -0.028139 Density= 0.212660 ETOT(band)= -0.233783 trlgG= -0.292687 logG= -0.028139 TDE= -0.170593 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005627 logG= -0.006875 Density= 0.080842 ETOT(band)= -0.086902 trlgG= -0.108601 logG= -0.006875 TDE= -0.042646 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001707 tlogG= -0.007127 logG= -0.008834 Density= 0.072231 ETOT(band)= -0.076425 trlgG= -0.094841 logG= -0.008834 TDE= -0.056591 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004642 tlogG= -0.023915 logG= -0.028557 Density= 0.213315 ETOT(band)= -0.233660 trlgG= -0.292452 logG= -0.028557 TDE= -0.170683 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022498 logG= -0.027458 Density= 0.215044 ETOT(band)= -0.231482 trlgG= -0.288020 logG= -0.027458 TDE= -0.170080 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023827 logG= -0.029128 Density= 0.215341 ETOT(band)= -0.233587 trlgG= -0.294147 logG= -0.029128 TDE= -0.171323 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.023925 logG= -0.029333 Density= 0.215649 ETOT(band)= -0.233588 trlgG= -0.294528 logG= -0.029333 TDE= -0.171331 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.024027 logG= -0.029259 Density= 0.216351 ETOT(band)= -0.233176 trlgG= -0.294334 logG= -0.029259 TDE= -0.171494 logGD-logG0= -0.005115 tlogG= -0.023874 logG= -0.028988 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215501 ETOT(band)= -0.233585 trlgG= -0.294248 logG= -0.028988 TDE= -0.171010 logGD-logG0= -0.005291 tlogG= -0.023513 logG= -0.028804 Density= 0.215225 ETOT(band)= -0.233150 trlgG= -0.292882 logG= -0.028804 TDE= -0.171067 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001235 tlogG= -0.005476 logG= -0.006711 Density= 0.081201 ETOT(band)= -0.086293 trlgG= -0.107368 logG= -0.006711 TDE= -0.042549 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005225 tlogG= -0.023984 logG= -0.029209 Density= 0.216384 ETOT(band)= -0.233073 trlgG= -0.294103 logG= -0.029209 TDE= -0.171467 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005456 tlogG= -0.023711 logG= -0.029167 Density= 0.215415 ETOT(band)= -0.233437 trlgG= -0.293828 logG= -0.029167 TDE= -0.171153 logGD-logG0= -0.005058 tlogG= -0.024184 logG= -0.029242 Density= 0.214755 ETOT(band)= -0.233985 trlgG= -0.294496 logG= -0.029242 TDE= -0.171135 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.022470 logG= -0.027629 Density= 0.216373 ETOT(band)= -0.231120 trlgG= -0.288593 logG= -0.027629 TDE= -0.170469 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005360 tlogG= -0.024148 logG= -0.029509 Density= 0.215720 ETOT(band)= -0.233842 trlgG= -0.295215 logG= -0.029509 TDE= -0.171507 logGD-logG0= -0.004724 tlogG= -0.023395 logG= -0.028119 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321666 ETOT(band)= -0.349778 trlgG= -0.438713 logG= -0.028119 TDE= -0.170800 logGD-logG0= -0.004954 tlogG= -0.023910 logG= -0.028865 logGD-logG0= -0.010256 tlogG= -0.045691 logG= -0.055947 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324053 ETOT(band)= -0.347693 trlgG= -0.434945 logG= -0.055947 TDE= -0.341259 Density= 0.213814 ETOT(band)= -0.233815 trlgG= -0.292962 logG= -0.028865 TDE= -0.170691 logGD-logG0= -0.009035 tlogG= -0.048145 logG= -0.057180 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425610 ETOT(band)= -0.467927 trlgG= -0.586366 logG= -0.057180 TDE= -0.341577 logGD-logG0= -0.009724 tlogG= -0.047705 logG= -0.057429 Density= 0.426732 ETOT(band)= -0.467969 trlgG= -0.586887 logG= -0.057429 TDE= -0.341592 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010492 tlogG= -0.047842 logG= -0.058334 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324346 ETOT(band)= -0.349667 trlgG= -0.440998 logG= -0.058334 TDE= -0.342827 logGD-logG0= -0.010771 tlogG= -0.048097 logG= -0.058868 Density= 0.323254 ETOT(band)= -0.350725 trlgG= -0.442324 logG= -0.058868 TDE= -0.342816 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.022998 logG= -0.028218 Density= 0.216227 ETOT(band)= -0.231917 trlgG= -0.290575 logG= -0.028218 TDE= -0.170802 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010536 tlogG= -0.047292 logG= -0.057828 Density= 0.324133 ETOT(band)= -0.349297 trlgG= -0.439648 logG= -0.057828 TDE= -0.342436 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005057 tlogG= -0.021723 logG= -0.026780 Density= 0.107938 ETOT(band)= -0.115254 trlgG= -0.143246 logG= -0.026780 TDE= -0.169879 logGD-logG0= -0.010011 tlogG= -0.046455 logG= -0.056466 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004339 tlogG= -0.024155 logG= -0.028494 Density= 0.212216 ETOT(band)= -0.234159 trlgG= -0.293630 logG= -0.028494 TDE= -0.170875 Density= 0.429570 ETOT(band)= -0.465191 trlgG= -0.581464 logG= -0.056466 TDE= -0.341131 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005393 tlogG= -0.023984 logG= -0.029377 logGD-logG0= -0.009528 tlogG= -0.046764 logG= -0.056292 Density= 0.427951 ETOT(band)= -0.465742 trlgG= -0.581767 logG= -0.056292 TDE= -0.341016 logGD-logG0= -0.009764 tlogG= -0.046661 logG= -0.056425 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004823 tlogG= -0.023271 logG= -0.028093 Density= 0.322728 ETOT(band)= -0.348745 trlgG= -0.436367 logG= -0.056425 TDE= -0.341411 Density= 0.323664 ETOT(band)= -0.350403 trlgG= -0.442075 logG= -0.029377 TDE= -0.171379 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213531 ETOT(band)= -0.233416 trlgG= -0.292180 logG= -0.028093 TDE= -0.170643 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.024033 logG= -0.028812 Density= 0.214141 ETOT(band)= -0.233895 trlgG= -0.294093 logG= -0.028812 TDE= -0.171129 logGD-logG0= -0.010531 tlogG= -0.046473 logG= -0.057005 logGD-logG0= -0.005069 tlogG= -0.023274 logG= -0.028343 Density= 0.324002 ETOT(band)= -0.348638 trlgG= -0.437562 logG= -0.057005 TDE= -0.341880 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321730 ETOT(band)= -0.350287 trlgG= -0.439564 logG= -0.028343 TDE= -0.170754 logGD-logG0= -0.009678 tlogG= -0.047824 logG= -0.057502 Density= 0.427233 ETOT(band)= -0.467524 trlgG= -0.585747 logG= -0.057502 TDE= -0.341295 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.024113 logG= -0.029401 Density= 0.323070 ETOT(band)= -0.350931 trlgG= -0.442624 logG= -0.029401 TDE= -0.171320 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047892 logG= -0.057612 Density= 0.428081 ETOT(band)= -0.467773 trlgG= -0.587771 logG= -0.057612 TDE= -0.342063 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023223 logG= -0.028432 Density= 0.214885 ETOT(band)= -0.232772 trlgG= -0.291190 logG= -0.028432 TDE= -0.170516 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010223 tlogG= -0.048202 logG= -0.058426 logGD-logG0= -0.010356 tlogG= -0.048277 logG= -0.058633 Density= 0.429329 ETOT(band)= -0.467901 trlgG= -0.588551 logG= -0.058426 TDE= -0.342111 Density= 0.430056 ETOT(band)= -0.467914 trlgG= -0.589318 logG= -0.058633 TDE= -0.342319 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010391 tlogG= -0.048011 logG= -0.058403 Density= 0.429234 ETOT(band)= -0.467861 trlgG= -0.588190 logG= -0.058403 TDE= -0.341946 logGD-logG0= -0.009583 tlogG= -0.046661 logG= -0.056244 Density= 0.428147 ETOT(band)= -0.466468 trlgG= -0.584377 logG= -0.056244 TDE= -0.341434 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047723 logG= -0.058054 logGD-logG0= -0.010842 tlogG= -0.047746 logG= -0.058589 Density= 0.431101 ETOT(band)= -0.467124 trlgG= -0.588652 logG= -0.058589 TDE= -0.342570 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428333 ETOT(band)= -0.467760 trlgG= -0.587104 logG= -0.058054 TDE= -0.341704 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009896 tlogG= -0.047908 logG= -0.057804 logGD-logG0= -0.010733 tlogG= -0.047788 logG= -0.058522 Density= 0.430764 ETOT(band)= -0.467176 trlgG= -0.588288 logG= -0.058522 TDE= -0.342462 Density= 0.429167 ETOT(band)= -0.467562 trlgG= -0.587760 logG= -0.057804 TDE= -0.342053 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010394 tlogG= -0.046988 logG= -0.057382 Density= 0.429909 ETOT(band)= -0.466114 trlgG= -0.584157 logG= -0.057382 TDE= -0.341415 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010076 tlogG= -0.047613 logG= -0.057689 Density= 0.428648 ETOT(band)= -0.467107 trlgG= -0.586151 logG= -0.057689 TDE= -0.341750 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001287 tlogG= -0.005991 logG= -0.007278 Density= 0.081060 ETOT(band)= -0.087488 trlgG= -0.110410 logG= -0.007278 TDE= -0.042871 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010767 tlogG= -0.048071 logG= -0.058838 Density= 0.431338 ETOT(band)= -0.467409 trlgG= -0.589646 logG= -0.058838 TDE= -0.342834 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004949 tlogG= -0.021334 logG= -0.026283 Density= 0.162646 ETOT(band)= -0.172866 trlgG= -0.215915 logG= -0.026283 TDE= -0.169786 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010319 tlogG= -0.047627 logG= -0.057946 Density= 0.430034 ETOT(band)= -0.466763 trlgG= -0.586086 logG= -0.057946 TDE= -0.341859 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004692 tlogG= -0.023397 logG= -0.028090 Density= 0.214207 ETOT(band)= -0.233182 trlgG= -0.292301 logG= -0.028090 TDE= -0.170808 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.022356 logG= -0.027233 Density= 0.322897 ETOT(band)= -0.347713 trlgG= -0.433978 logG= -0.027233 TDE= -0.170149 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005084 tlogG= -0.024189 logG= -0.029273 Density= 0.322457 ETOT(band)= -0.350951 trlgG= -0.441971 logG= -0.029273 TDE= -0.171131 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.021911 logG= -0.027032 Density= 0.216629 ETOT(band)= -0.230123 trlgG= -0.286481 logG= -0.027032 TDE= -0.170130 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005032 tlogG= -0.021383 logG= -0.026415 Density= 0.217019 ETOT(band)= -0.229020 trlgG= -0.284283 logG= -0.026415 TDE= -0.169799 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005315 logG= -0.006531 Density= 0.081555 ETOT(band)= -0.085629 trlgG= -0.106214 logG= -0.006531 TDE= -0.042438 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004837 tlogG= -0.022355 logG= -0.027192 Density= 0.215048 ETOT(band)= -0.231771 trlgG= -0.289063 logG= -0.027192 TDE= -0.170154 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009875 tlogG= -0.048297 logG= -0.058172 Density= 0.214418 ETOT(band)= -0.233956 trlgG= -0.294356 logG= -0.058172 TDE= -0.342289 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.044681 logG= -0.054582 Density= 0.431631 ETOT(band)= -0.461737 trlgG= -0.574707 logG= -0.054582 TDE= -0.340217 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010792 tlogG= -0.047327 logG= -0.058119 Density= 0.430499 ETOT(band)= -0.466748 trlgG= -0.586815 logG= -0.058119 TDE= -0.342079 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.022319 logG= -0.027309 Density= 0.214289 ETOT(band)= -0.232250 trlgG= -0.289407 logG= -0.027309 TDE= -0.170067 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005268 tlogG= -0.024029 logG= -0.029296 Density= 0.215689 ETOT(band)= -0.233686 trlgG= -0.294800 logG= -0.029296 TDE= -0.171476 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023790 logG= -0.029034 Density= 0.216276 ETOT(band)= -0.232873 trlgG= -0.293398 logG= -0.029034 TDE= -0.171326 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.021239 logG= -0.026229 Density= 0.216353 ETOT(band)= -0.229872 trlgG= -0.285531 logG= -0.026229 TDE= -0.169706 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004812 tlogG= -0.024032 logG= -0.028845 Density= 0.321592 ETOT(band)= -0.350827 trlgG= -0.441290 logG= -0.028845 TDE= -0.171124 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010565 tlogG= -0.048128 logG= -0.058694 Density= 0.430162 ETOT(band)= -0.467745 trlgG= -0.588992 logG= -0.058694 TDE= -0.342444 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010051 tlogG= -0.044681 logG= -0.054732 Density= 0.324296 ETOT(band)= -0.346423 trlgG= -0.431940 logG= -0.054732 TDE= -0.340583 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.568372174516 eV TrLogG= -407.240255516247 eV Ratio to renormalize= 0.999963872841 rho-rho_expected= 0.000794826204 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 77) Finished k-point number 156 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964563546542724 0.940239589641394 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000197 tlogG= -0.000856 logG= -0.001053 Density= 0.004544 ETOT(band)= -0.004733 trlgG= -0.005857 logG= -0.001053 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001418 tlogG= -0.008064 logG= -0.009482 Density= 0.035326 ETOT(band)= -0.039067 trlgG= -0.049000 logG= -0.009482 TDE= -0.056999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004664 tlogG= -0.023265 logG= -0.027929 Density= 0.106771 ETOT(band)= -0.116599 trlgG= -0.145558 logG= -0.027929 TDE= -0.170464 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004751 tlogG= -0.023049 logG= -0.027801 Density= 0.106906 ETOT(band)= -0.116469 trlgG= -0.145298 logG= -0.027801 TDE= -0.170400 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002419 tlogG= -0.010463 logG= -0.012882 Density= 0.054388 ETOT(band)= -0.057070 trlgG= -0.070749 logG= -0.012882 TDE= -0.084782 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001705 tlogG= -0.007324 logG= -0.009029 Density= 0.035854 ETOT(band)= -0.038571 trlgG= -0.047943 logG= -0.009029 TDE= -0.056656 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004935 tlogG= -0.021638 logG= -0.026573 Density= 0.108536 ETOT(band)= -0.114872 trlgG= -0.142933 logG= -0.026573 TDE= -0.170069 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004855 tlogG= -0.021063 logG= -0.025918 Density= 0.108730 ETOT(band)= -0.114286 trlgG= -0.141778 logG= -0.025918 TDE= -0.169665 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002343 tlogG= -0.011917 logG= -0.014260 Density= 0.053577 ETOT(band)= -0.058392 trlgG= -0.073313 logG= -0.014260 TDE= -0.085565 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002621 tlogG= -0.012066 logG= -0.014687 Density= 0.053777 ETOT(band)= -0.058527 trlgG= -0.073734 logG= -0.014687 TDE= -0.085658 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002351 tlogG= -0.011481 logG= -0.013832 Density= 0.053751 ETOT(band)= -0.058063 trlgG= -0.072549 logG= -0.013832 TDE= -0.085316 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001500 tlogG= -0.007831 logG= -0.009331 Density= 0.035504 ETOT(band)= -0.038917 trlgG= -0.048637 logG= -0.009331 TDE= -0.056875 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.022531 logG= -0.027599 Density= 0.108227 ETOT(band)= -0.115727 trlgG= -0.144668 logG= -0.027599 TDE= -0.170625 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002439 tlogG= -0.012115 logG= -0.014554 Density= 0.053599 ETOT(band)= -0.058537 trlgG= -0.073675 logG= -0.014554 TDE= -0.085645 logGD-logG0= -0.002575 tlogG= -0.012021 logG= -0.014596 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054149 ETOT(band)= -0.058292 trlgG= -0.073600 logG= -0.014596 TDE= -0.085800 logGD-logG0= -0.004361 tlogG= -0.024111 logG= -0.028473 Density= 0.106155 ETOT(band)= -0.117138 trlgG= -0.146875 logG= -0.028473 TDE= -0.170933 logGD-logG0= -0.005317 tlogG= -0.024138 logG= -0.029455 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107670 ETOT(band)= -0.117056 trlgG= -0.147615 logG= -0.029455 TDE= -0.171440 logGD-logG0= -0.005183 tlogG= -0.023837 logG= -0.029020 logGD-logG0= -0.005178 tlogG= -0.023504 logG= -0.028682 Density= 0.108154 ETOT(band)= -0.116370 trlgG= -0.146389 logG= -0.028682 TDE= -0.171227 Density= 0.108201 ETOT(band)= -0.116533 trlgG= -0.146925 logG= -0.029020 TDE= -0.171448 logGD-logG0= -0.004388 tlogG= -0.024034 logG= -0.028423 Density= 0.106207 ETOT(band)= -0.117095 trlgG= -0.146761 logG= -0.028423 TDE= -0.170895 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.023057 logG= -0.028192 Density= 0.108159 ETOT(band)= -0.116100 trlgG= -0.145615 logG= -0.028192 TDE= -0.170945 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002644 tlogG= -0.012025 logG= -0.014668 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053995 ETOT(band)= -0.058412 trlgG= -0.073720 logG= -0.014668 TDE= -0.085771 logGD-logG0= -0.004985 tlogG= -0.022244 logG= -0.027229 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004586 tlogG= -0.024106 logG= -0.028692 Density= 0.106424 ETOT(band)= -0.117129 trlgG= -0.146886 logG= -0.028692 TDE= -0.170858 Density= 0.108382 ETOT(band)= -0.115422 trlgG= -0.144061 logG= -0.027229 TDE= -0.170465 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.024024 logG= -0.029194 Density= 0.108251 ETOT(band)= -0.116608 trlgG= -0.147204 logG= -0.029194 TDE= -0.171578 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.024161 logG= -0.029481 Density= 0.107913 ETOT(band)= -0.116966 trlgG= -0.147680 logG= -0.029481 TDE= -0.171600 logGD-logG0= -0.005157 tlogG= -0.023945 logG= -0.029102 Density= 0.108272 ETOT(band)= -0.116544 trlgG= -0.147055 logG= -0.029102 TDE= -0.171531 logGD-logG0= -0.005160 tlogG= -0.023679 logG= -0.028839 logGD-logG0= -0.005129 tlogG= -0.023290 logG= -0.028418 Density= 0.108217 ETOT(band)= -0.116194 trlgG= -0.145971 logG= -0.028418 TDE= -0.171104 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023703 logG= -0.028744 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107011 ETOT(band)= -0.116912 trlgG= -0.146391 logG= -0.028744 TDE= -0.170601 Density= 0.108227 ETOT(band)= -0.116418 trlgG= -0.146634 logG= -0.028839 TDE= -0.171352 logGD-logG0= -0.005063 tlogG= -0.022808 logG= -0.027871 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.023970 logG= -0.029319 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.022475 logG= -0.027525 Density= 0.107663 ETOT(band)= -0.115949 trlgG= -0.144543 logG= -0.027525 TDE= -0.170295 Density= 0.108272 ETOT(band)= -0.115864 trlgG= -0.145104 logG= -0.027871 TDE= -0.170811 Density= 0.107778 ETOT(band)= -0.116923 trlgG= -0.147400 logG= -0.029319 TDE= -0.171415 logGD-logG0= -0.005148 tlogG= -0.022942 logG= -0.028091 logGD-logG0= -0.005267 tlogG= -0.024034 logG= -0.029301 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.023755 logG= -0.028623 Density= 0.107407 ETOT(band)= -0.116707 trlgG= -0.146493 logG= -0.028623 TDE= -0.171021 Density= 0.107644 ETOT(band)= -0.116283 trlgG= -0.145439 logG= -0.028091 TDE= -0.170616 logGD-logG0= -0.004901 tlogG= -0.022917 logG= -0.027818 logGD-logG0= -0.005324 tlogG= -0.023751 logG= -0.029074 Density= 0.107262 ETOT(band)= -0.116986 trlgG= -0.146943 logG= -0.029074 TDE= -0.170947 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005353 tlogG= -0.024207 logG= -0.029560 Density= 0.107775 ETOT(band)= -0.116079 trlgG= -0.145027 logG= -0.027818 TDE= -0.170541 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004721 tlogG= -0.023729 logG= -0.028450 Density= 0.106632 ETOT(band)= -0.116937 trlgG= -0.146473 logG= -0.028450 TDE= -0.170790 Density= 0.107473 ETOT(band)= -0.117040 trlgG= -0.147340 logG= -0.029301 TDE= -0.171222 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107837 ETOT(band)= -0.117053 trlgG= -0.147805 logG= -0.029560 TDE= -0.171608 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004744 tlogG= -0.023754 logG= -0.028498 Density= 0.107007 ETOT(band)= -0.116823 trlgG= -0.146580 logG= -0.028498 TDE= -0.171035 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.023560 logG= -0.028336 Density= 0.106807 ETOT(band)= -0.116791 trlgG= -0.146043 logG= -0.028336 TDE= -0.170560 logGD-logG0= -0.004917 tlogG= -0.024136 logG= -0.029053 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107087 ETOT(band)= -0.117077 trlgG= -0.147258 logG= -0.029053 TDE= -0.171197 logGD-logG0= -0.005031 tlogG= -0.024160 logG= -0.029191 Density= 0.107408 ETOT(band)= -0.117018 trlgG= -0.147234 logG= -0.029191 TDE= -0.171195 logGD-logG0= -0.005339 tlogG= -0.023264 logG= -0.028603 logGD-logG0= -0.004777 tlogG= -0.022919 logG= -0.027696 Density= 0.107328 ETOT(band)= -0.116220 trlgG= -0.145149 logG= -0.027696 TDE= -0.170564 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107710 ETOT(band)= -0.116532 trlgG= -0.146249 logG= -0.028603 TDE= -0.170947 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.023953 logG= -0.028899 logGD-logG0= -0.005295 tlogG= -0.024132 logG= -0.029427 Density= 0.107972 ETOT(band)= -0.116899 trlgG= -0.147592 logG= -0.029427 TDE= -0.171594 Density= 0.106790 ETOT(band)= -0.117093 trlgG= -0.147001 logG= -0.028899 TDE= -0.170947 logGD-logG0= -0.009857 tlogG= -0.048378 logG= -0.058236 Density= 0.214462 ETOT(band)= -0.234115 trlgG= -0.294593 logG= -0.058236 TDE= -0.342484 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.023653 logG= -0.028997 Density= 0.107826 ETOT(band)= -0.116695 trlgG= -0.146879 logG= -0.028997 TDE= -0.171240 logGD-logG0= -0.009545 tlogG= -0.045895 logG= -0.055440 Density= 0.215077 ETOT(band)= -0.232277 trlgG= -0.290203 logG= -0.055440 TDE= -0.341194 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009722 tlogG= -0.047294 logG= -0.057015 Density= 0.213833 ETOT(band)= -0.233702 trlgG= -0.293012 logG= -0.057015 TDE= -0.341811 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009191 tlogG= -0.047752 logG= -0.056943 Density= 0.212997 ETOT(band)= -0.233994 trlgG= -0.293074 logG= -0.056943 TDE= -0.341533 logGD-logG0= -0.009823 tlogG= -0.045725 logG= -0.055548 logGD-logG0= -0.005306 tlogG= -0.023944 logG= -0.029250 Density= 0.107941 ETOT(band)= -0.116792 trlgG= -0.147295 logG= -0.029250 TDE= -0.171459 Density= 0.214428 ETOT(band)= -0.232622 trlgG= -0.290376 logG= -0.055548 TDE= -0.340938 logGD-logG0= -0.010002 tlogG= -0.048035 logG= -0.058037 logGD-logG0= -0.009896 tlogG= -0.047276 logG= -0.057171 Density= 0.213844 ETOT(band)= -0.233746 trlgG= -0.292804 logG= -0.057171 TDE= -0.341453 Density= 0.214033 ETOT(band)= -0.234149 trlgG= -0.294278 logG= -0.058037 TDE= -0.342155 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009621 tlogG= -0.048052 logG= -0.057673 Density= 0.213342 ETOT(band)= -0.234207 trlgG= -0.293724 logG= -0.057673 TDE= -0.341623 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047882 logG= -0.058462 Density= 0.214817 ETOT(band)= -0.234042 trlgG= -0.294431 logG= -0.058462 TDE= -0.342271 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009496 tlogG= -0.047582 logG= -0.057078 Density= 0.214373 ETOT(band)= -0.233538 trlgG= -0.293146 logG= -0.057078 TDE= -0.342151 logGD-logG0= -0.010536 tlogG= -0.048216 logG= -0.058752 Density= 0.215128 ETOT(band)= -0.234098 trlgG= -0.294944 logG= -0.058752 TDE= -0.342648 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010127 tlogG= -0.048164 logG= -0.058291 Density= 0.214592 ETOT(band)= -0.234063 trlgG= -0.294343 logG= -0.058291 TDE= -0.342243 logGD-logG0= -0.010444 tlogG= -0.047922 logG= -0.058366 Density= 0.214716 ETOT(band)= -0.234035 trlgG= -0.294262 logG= -0.058366 TDE= -0.342148 logGD-logG0= -0.010618 tlogG= -0.048150 logG= -0.058768 logGD-logG0= -0.010384 tlogG= -0.048115 logG= -0.058499 Density= 0.215130 ETOT(band)= -0.233953 trlgG= -0.294528 logG= -0.058499 TDE= -0.342486 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215164 ETOT(band)= -0.234090 trlgG= -0.294972 logG= -0.058768 TDE= -0.342678 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010662 tlogG= -0.047677 logG= -0.058339 logGD-logG0= -0.009930 tlogG= -0.045784 logG= -0.055714 Density= 0.215753 ETOT(band)= -0.233550 trlgG= -0.294321 logG= -0.058339 TDE= -0.342747 Density= 0.215208 ETOT(band)= -0.232354 trlgG= -0.290196 logG= -0.055714 TDE= -0.340978 logGD-logG0= -0.010477 tlogG= -0.047437 logG= -0.057914 Density= 0.214325 ETOT(band)= -0.233931 trlgG= -0.293509 logG= -0.057914 TDE= -0.341654 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010246 tlogG= -0.047791 logG= -0.058037 logGD-logG0= -0.010589 tlogG= -0.048089 logG= -0.058678 Density= 0.214014 ETOT(band)= -0.234136 trlgG= -0.294030 logG= -0.058037 TDE= -0.341897 Density= 0.215948 ETOT(band)= -0.233668 trlgG= -0.294884 logG= -0.058678 TDE= -0.343068 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010641 tlogG= -0.047557 logG= -0.058198 Density= 0.215522 ETOT(band)= -0.233589 trlgG= -0.294079 logG= -0.058198 TDE= -0.342533 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001635 tlogG= -0.007016 logG= -0.008651 Density= 0.036203 ETOT(band)= -0.038125 trlgG= -0.047285 logG= -0.008651 TDE= -0.056549 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010730 tlogG= -0.048282 logG= -0.059012 Density= 0.215478 ETOT(band)= -0.234118 trlgG= -0.295411 logG= -0.059012 TDE= -0.343029 logGD-logG0= -0.010643 tlogG= -0.048038 logG= -0.058681 Density= 0.215820 ETOT(band)= -0.233740 trlgG= -0.294886 logG= -0.058681 TDE= -0.343004 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009851 tlogG= -0.047359 logG= -0.057210 Density= 0.214539 ETOT(band)= -0.233500 trlgG= -0.292921 logG= -0.057210 TDE= -0.341875 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047016 logG= -0.057697 Density= 0.215485 ETOT(band)= -0.233311 trlgG= -0.293278 logG= -0.057697 TDE= -0.342214 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002482 tlogG= -0.010874 logG= -0.013356 logGD-logG0= -0.010155 tlogG= -0.047287 logG= -0.057442 Density= 0.054076 ETOT(band)= -0.057585 trlgG= -0.071594 logG= -0.013356 TDE= -0.084997 logGD-logG0= -0.010243 tlogG= -0.046547 logG= -0.056790 Density= 0.215208 ETOT(band)= -0.233319 trlgG= -0.292850 logG= -0.057442 TDE= -0.341904 Density= 0.215273 ETOT(band)= -0.232918 trlgG= -0.291833 logG= -0.056790 TDE= -0.341571 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.021949 logG= -0.026969 Density= 0.108347 ETOT(band)= -0.115237 trlgG= -0.143612 logG= -0.026969 TDE= -0.170258 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005106 tlogG= -0.021885 logG= -0.026991 Density= 0.107817 ETOT(band)= -0.115522 trlgG= -0.143669 logG= -0.026991 TDE= -0.170031 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005047 tlogG= -0.021762 logG= -0.026809 Density= 0.107959 ETOT(band)= -0.115330 trlgG= -0.143361 logG= -0.026809 TDE= -0.169975 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010090 tlogG= -0.043524 logG= -0.053614 Density= 0.216328 ETOT(band)= -0.230453 trlgG= -0.286700 logG= -0.053614 TDE= -0.340137 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004469 tlogG= -0.023800 logG= -0.028269 Density= 0.213160 ETOT(band)= -0.233545 trlgG= -0.291954 logG= -0.028269 TDE= -0.170773 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001194 tlogG= -0.005190 logG= -0.006384 Density= 0.062558 ETOT(band)= -0.067536 trlgG= -0.084267 logG= -0.006384 TDE= -0.042360 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001585 tlogG= -0.007608 logG= -0.009193 Density= 0.071519 ETOT(band)= -0.077337 trlgG= -0.096222 logG= -0.009193 TDE= -0.056735 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001212 tlogG= -0.005326 logG= -0.006538 Density= 0.081573 ETOT(band)= -0.085685 trlgG= -0.106296 logG= -0.006538 TDE= -0.042461 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004980 tlogG= -0.022359 logG= -0.027339 Density= 0.214327 ETOT(band)= -0.232409 trlgG= -0.289643 logG= -0.027339 TDE= -0.170164 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001591 tlogG= -0.006899 logG= -0.008490 Density= 0.040855 ETOT(band)= -0.042673 trlgG= -0.052841 logG= -0.008490 TDE= -0.056463 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005107 tlogG= -0.021953 logG= -0.027061 Density= 0.216675 ETOT(band)= -0.230274 trlgG= -0.286708 logG= -0.027061 TDE= -0.170226 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005018 tlogG= -0.021425 logG= -0.026443 Density= 0.217065 ETOT(band)= -0.229169 trlgG= -0.284506 logG= -0.026443 TDE= -0.169894 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001265 tlogG= -0.005766 logG= -0.007031 Density= 0.080657 ETOT(band)= -0.087388 trlgG= -0.109690 logG= -0.007031 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001244 tlogG= -0.005638 logG= -0.006882 Density= 0.080858 ETOT(band)= -0.086960 trlgG= -0.108688 logG= -0.006882 TDE= -0.042670 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005957 logG= -0.007242 Density= 0.080852 ETOT(band)= -0.087640 trlgG= -0.110444 logG= -0.007242 TDE= -0.042866 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.006002 logG= -0.007285 Density= 0.081079 ETOT(band)= -0.087545 trlgG= -0.110498 logG= -0.007285 TDE= -0.042896 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005874 logG= -0.007154 Density= 0.080669 ETOT(band)= -0.087604 trlgG= -0.110245 logG= -0.007154 TDE= -0.042812 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.024075 logG= -0.029327 Density= 0.215739 ETOT(band)= -0.233839 trlgG= -0.295039 logG= -0.029327 TDE= -0.171576 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001445 tlogG= -0.007986 logG= -0.009430 Density= 0.070892 ETOT(band)= -0.077935 trlgG= -0.097515 logG= -0.009430 TDE= -0.056960 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023042 logG= -0.028249 logGD-logG0= -0.005147 tlogG= -0.022511 logG= -0.027658 Density= 0.216419 ETOT(band)= -0.231271 trlgG= -0.288823 logG= -0.027658 TDE= -0.170566 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216275 ETOT(band)= -0.232069 trlgG= -0.290807 logG= -0.028249 TDE= -0.170900 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004613 tlogG= -0.024033 logG= -0.028646 Density= 0.212881 ETOT(band)= -0.234229 trlgG= -0.293678 logG= -0.028646 TDE= -0.170826 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.023550 logG= -0.028835 Density= 0.215271 ETOT(band)= -0.233306 trlgG= -0.293118 logG= -0.028835 TDE= -0.171167 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023489 logG= -0.028724 Density= 0.216247 ETOT(band)= -0.232643 trlgG= -0.292423 logG= -0.028724 TDE= -0.171187 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023257 logG= -0.028463 Density= 0.214928 ETOT(band)= -0.232929 trlgG= -0.291429 logG= -0.028463 TDE= -0.170617 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.023943 logG= -0.028897 logGD-logG0= -0.005107 tlogG= -0.023912 logG= -0.029020 logGD-logG0= -0.005216 tlogG= -0.024073 logG= -0.029289 Density= 0.216403 ETOT(band)= -0.233327 trlgG= -0.294568 logG= -0.029289 TDE= -0.171594 logGD-logG0= -0.005109 tlogG= -0.024024 logG= -0.029133 Density= 0.213855 ETOT(band)= -0.233975 trlgG= -0.293205 logG= -0.028897 TDE= -0.170789 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215550 ETOT(band)= -0.233739 trlgG= -0.294487 logG= -0.029020 TDE= -0.171111 logGD-logG0= -0.004803 tlogG= -0.024073 logG= -0.028876 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004683 tlogG= -0.023438 logG= -0.028121 Density= 0.214247 ETOT(band)= -0.233342 trlgG= -0.292539 logG= -0.028121 TDE= -0.170905 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321657 ETOT(band)= -0.351065 trlgG= -0.441646 logG= -0.028876 TDE= -0.171222 logGD-logG0= -0.005285 tlogG= -0.023873 logG= -0.029158 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215389 ETOT(band)= -0.233742 trlgG= -0.294382 logG= -0.029158 TDE= -0.171423 logGD-logG0= -0.004335 tlogG= -0.024191 logG= -0.028527 Density= 0.212248 ETOT(band)= -0.234326 trlgG= -0.293872 logG= -0.028527 TDE= -0.170971 Density= 0.214403 ETOT(band)= -0.234066 trlgG= -0.294117 logG= -0.029133 TDE= -0.171060 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004813 tlogG= -0.023312 logG= -0.028125 Density= 0.213568 ETOT(band)= -0.233578 trlgG= -0.292421 logG= -0.028125 TDE= -0.170741 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.024196 logG= -0.029540 Density= 0.215771 ETOT(band)= -0.233996 trlgG= -0.295455 logG= -0.029540 TDE= -0.171608 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.045764 logG= -0.056007 Density= 0.324122 ETOT(band)= -0.347922 trlgG= -0.435294 logG= -0.056007 TDE= -0.341455 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004770 tlogG= -0.024074 logG= -0.028844 Density= 0.214183 ETOT(band)= -0.234055 trlgG= -0.294332 logG= -0.028844 TDE= -0.171227 logGD-logG0= -0.005209 tlogG= -0.024030 logG= -0.029239 Density= 0.216437 ETOT(band)= -0.233223 trlgG= -0.294336 logG= -0.029239 TDE= -0.171567 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004525 tlogG= -0.023646 logG= -0.028171 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212694 ETOT(band)= -0.233949 trlgG= -0.292926 logG= -0.028171 TDE= -0.170689 logGD-logG0= -0.004865 tlogG= -0.023903 logG= -0.028768 logGD-logG0= -0.010460 tlogG= -0.047934 logG= -0.058394 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324424 ETOT(band)= -0.349894 trlgG= -0.441349 logG= -0.058394 TDE= -0.343027 logGD-logG0= -0.005228 tlogG= -0.023836 logG= -0.029064 Density= 0.213640 ETOT(band)= -0.234112 trlgG= -0.293939 logG= -0.028768 TDE= -0.171045 Density= 0.216327 ETOT(band)= -0.233024 trlgG= -0.293630 logG= -0.029064 TDE= -0.171426 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010749 tlogG= -0.048182 logG= -0.058931 Density= 0.323328 ETOT(band)= -0.350957 trlgG= -0.442685 logG= -0.058931 TDE= -0.343019 logGD-logG0= -0.005050 tlogG= -0.024224 logG= -0.029274 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214801 ETOT(band)= -0.234142 trlgG= -0.294735 logG= -0.029274 TDE= -0.171233 logGD-logG0= -0.005467 tlogG= -0.023422 logG= -0.028889 logGD-logG0= -0.005076 tlogG= -0.024229 logG= -0.029305 Density= 0.322527 ETOT(band)= -0.351186 trlgG= -0.442331 logG= -0.029305 TDE= -0.171228 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215165 ETOT(band)= -0.233331 trlgG= -0.292925 logG= -0.028889 TDE= -0.170961 logGD-logG0= -0.010506 tlogG= -0.047383 logG= -0.057889 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324208 ETOT(band)= -0.349524 trlgG= -0.439999 logG= -0.057889 TDE= -0.342635 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004715 tlogG= -0.023435 logG= -0.028150 logGD-logG0= -0.004639 tlogG= -0.023950 logG= -0.028590 Density= 0.321728 ETOT(band)= -0.350017 trlgG= -0.439068 logG= -0.028150 TDE= -0.170897 Density= 0.213352 ETOT(band)= -0.233823 trlgG= -0.292686 logG= -0.028590 TDE= -0.170778 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010503 tlogG= -0.046562 logG= -0.057065 Density= 0.324073 ETOT(band)= -0.348866 trlgG= -0.437913 logG= -0.057065 TDE= -0.342078 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.022965 logG= -0.027971 Density= 0.214859 ETOT(band)= -0.232373 trlgG= -0.289896 logG= -0.027971 TDE= -0.170428 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005281 tlogG= -0.024151 logG= -0.029433 Density= 0.323144 ETOT(band)= -0.351164 trlgG= -0.442987 logG= -0.029433 TDE= -0.171421 logGD-logG0= -0.005062 tlogG= -0.023312 logG= -0.028374 logGD-logG0= -0.009747 tlogG= -0.046739 logG= -0.056486 Density= 0.322792 ETOT(band)= -0.348979 trlgG= -0.436716 logG= -0.056486 TDE= -0.341604 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321795 ETOT(band)= -0.350524 trlgG= -0.439921 logG= -0.028374 TDE= -0.170853 logGD-logG0= -0.005377 tlogG= -0.024031 logG= -0.029408 Density= 0.323740 ETOT(band)= -0.350633 trlgG= -0.442432 logG= -0.029408 TDE= -0.171480 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005440 tlogG= -0.023758 logG= -0.029198 Density= 0.215463 ETOT(band)= -0.233591 trlgG= -0.294067 logG= -0.029198 TDE= -0.171254 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009029 tlogG= -0.048216 logG= -0.057245 logGD-logG0= -0.009702 tlogG= -0.047974 logG= -0.057676 Density= 0.425680 ETOT(band)= -0.468256 trlgG= -0.586840 logG= -0.057245 TDE= -0.341767 logGD-logG0= -0.010207 tlogG= -0.048283 logG= -0.058490 Density= 0.428165 ETOT(band)= -0.468092 trlgG= -0.588249 logG= -0.057676 TDE= -0.342258 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010376 tlogG= -0.048091 logG= -0.058467 Density= 0.429421 ETOT(band)= -0.468215 trlgG= -0.589030 logG= -0.058490 TDE= -0.342306 Density= 0.429325 ETOT(band)= -0.468176 trlgG= -0.588676 logG= -0.058467 TDE= -0.342147 logGD-logG0= -0.009565 tlogG= -0.046742 logG= -0.056307 Density= 0.428226 ETOT(band)= -0.466787 trlgG= -0.584854 logG= -0.056307 TDE= -0.341628 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009522 tlogG= -0.046833 logG= -0.056355 Density= 0.428027 ETOT(band)= -0.466062 trlgG= -0.582243 logG= -0.056355 TDE= -0.341211 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010341 tlogG= -0.048356 logG= -0.058697 Density= 0.430151 ETOT(band)= -0.468226 trlgG= -0.589805 logG= -0.058697 TDE= -0.342522 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010318 tlogG= -0.047800 logG= -0.058118 Density= 0.428419 ETOT(band)= -0.468077 trlgG= -0.587582 logG= -0.058118 TDE= -0.341899 logGD-logG0= -0.009879 tlogG= -0.047988 logG= -0.057867 Density= 0.429256 ETOT(band)= -0.467878 trlgG= -0.588230 logG= -0.057867 TDE= -0.342246 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010811 tlogG= -0.047840 logG= -0.058651 Density= 0.431200 ETOT(band)= -0.467431 trlgG= -0.589130 logG= -0.058651 TDE= -0.342772 logGD-logG0= -0.009722 tlogG= -0.047771 logG= -0.057494 Density= 0.426809 ETOT(band)= -0.468293 trlgG= -0.587372 logG= -0.057494 TDE= -0.341789 logGD-logG0= -0.010721 tlogG= -0.047864 logG= -0.058584 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430861 ETOT(band)= -0.467485 trlgG= -0.588768 logG= -0.058584 TDE= -0.342665 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009676 tlogG= -0.047890 logG= -0.057566 Density= 0.427312 ETOT(band)= -0.467846 trlgG= -0.586227 logG= -0.057566 TDE= -0.341491 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.048205 logG= -0.058757 Density= 0.430257 ETOT(band)= -0.468057 trlgG= -0.589478 logG= -0.058757 TDE= -0.342648 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.021375 logG= -0.026311 Density= 0.162683 ETOT(band)= -0.172979 trlgG= -0.216085 logG= -0.026311 TDE= -0.169881 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005392 tlogG= -0.023972 logG= -0.029364 Density= 0.215699 ETOT(band)= -0.233741 trlgG= -0.294767 logG= -0.029364 TDE= -0.171432 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.022394 logG= -0.027221 Density= 0.215088 ETOT(band)= -0.231928 trlgG= -0.289296 logG= -0.027221 TDE= -0.170251 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010059 tlogG= -0.047694 logG= -0.057752 Density= 0.428733 ETOT(band)= -0.467424 trlgG= -0.586623 logG= -0.057752 TDE= -0.341944 logGD-logG0= -0.009994 tlogG= -0.046535 logG= -0.056529 Density= 0.429653 ETOT(band)= -0.465505 trlgG= -0.581931 logG= -0.056529 TDE= -0.341324 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.048166 logG= -0.058901 Density= 0.431438 ETOT(band)= -0.467716 trlgG= -0.590125 logG= -0.058901 TDE= -0.343037 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.047705 logG= -0.058008 Density= 0.430125 ETOT(band)= -0.467075 trlgG= -0.586568 logG= -0.058008 TDE= -0.342061 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001232 tlogG= -0.005487 logG= -0.006718 logGD-logG0= -0.004868 tlogG= -0.022394 logG= -0.027263 logGD-logG0= -0.010779 tlogG= -0.047403 logG= -0.058182 Density= 0.430594 ETOT(band)= -0.467058 trlgG= -0.587294 logG= -0.058182 TDE= -0.342281 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322959 ETOT(band)= -0.347947 trlgG= -0.434326 logG= -0.027263 TDE= -0.170246 Density= 0.081218 ETOT(band)= -0.086350 trlgG= -0.107453 logG= -0.006718 TDE= -0.042573 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010379 tlogG= -0.047065 logG= -0.057444 Density= 0.429998 ETOT(band)= -0.466425 trlgG= -0.584637 logG= -0.057444 TDE= -0.341616 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010035 tlogG= -0.044756 logG= -0.054791 Density= 0.324363 ETOT(band)= -0.346652 trlgG= -0.432285 logG= -0.054791 TDE= -0.340778 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022533 logG= -0.027489 Density= 0.215084 ETOT(band)= -0.231638 trlgG= -0.288253 logG= -0.027489 TDE= -0.170177 logGD-logG0= -0.001702 tlogG= -0.007141 logG= -0.008844 Density= 0.072246 ETOT(band)= -0.076476 trlgG= -0.094916 logG= -0.008844 TDE= -0.056623 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009882 tlogG= -0.044759 logG= -0.054641 Density= 0.431717 ETOT(band)= -0.462045 trlgG= -0.575166 logG= -0.054641 TDE= -0.340410 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.021280 logG= -0.026257 Density= 0.216397 ETOT(band)= -0.230024 trlgG= -0.285758 logG= -0.026257 TDE= -0.169801 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.786186122694 eV TrLogG= -407.600645413036 eV Ratio to renormalize= 0.999757886326 rho-rho_expected= 0.005327790757 nargs= 1 argi=dmft2.def 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 51) Finished k-point number 104 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964547483560233 0.940199752463087 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011896 logG= -0.014230 Density= 0.053574 ETOT(band)= -0.058387 trlgG= -0.073274 logG= -0.014230 TDE= -0.085556 logGD-logG0= -0.002611 tlogG= -0.012045 logG= -0.014656 Density= 0.053773 ETOT(band)= -0.058522 trlgG= -0.073695 logG= -0.014656 TDE= -0.085649 logGD-logG0= -0.000196 tlogG= -0.000854 logG= -0.001050 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007052 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011461 logG= -0.013801 Density= 0.053748 ETOT(band)= -0.058058 trlgG= -0.072510 logG= -0.013801 TDE= -0.085306 logGD-logG0= -0.001492 tlogG= -0.007819 logG= -0.009311 Density= 0.035503 ETOT(band)= -0.038915 trlgG= -0.048611 logG= -0.009311 TDE= -0.056869 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008052 logG= -0.009462 Density= 0.035325 ETOT(band)= -0.039064 trlgG= -0.048974 logG= -0.009462 TDE= -0.056993 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002429 tlogG= -0.012095 logG= -0.014523 Density= 0.053596 ETOT(band)= -0.058532 trlgG= -0.073636 logG= -0.014523 TDE= -0.085635 logGD-logG0= -0.005051 tlogG= -0.022485 logG= -0.027536 Density= 0.108220 ETOT(band)= -0.115716 trlgG= -0.144589 logG= -0.027536 TDE= -0.170606 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004338 tlogG= -0.024074 logG= -0.028413 Density= 0.106152 ETOT(band)= -0.117131 trlgG= -0.146798 logG= -0.028413 TDE= -0.170914 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023977 logG= -0.029132 logGD-logG0= -0.002568 tlogG= -0.011998 logG= -0.014565 Density= 0.108243 ETOT(band)= -0.116598 trlgG= -0.147127 logG= -0.029132 TDE= -0.171559 Density= 0.054144 ETOT(band)= -0.058287 trlgG= -0.073562 logG= -0.014565 TDE= -0.085790 logGD-logG0= -0.005168 tlogG= -0.023791 logG= -0.028958 Density= 0.108193 ETOT(band)= -0.116523 trlgG= -0.146848 logG= -0.028958 TDE= -0.171429 logGD-logG0= -0.005119 tlogG= -0.023010 logG= -0.028130 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108152 ETOT(band)= -0.116089 trlgG= -0.145536 logG= -0.028130 TDE= -0.170926 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.023714 logG= -0.028561 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107401 ETOT(band)= -0.116698 trlgG= -0.146415 logG= -0.028561 TDE= -0.171002 logGD-logG0= -0.005162 tlogG= -0.023458 logG= -0.028620 Density= 0.108147 ETOT(band)= -0.116360 trlgG= -0.146311 logG= -0.028620 TDE= -0.171208 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.022198 logG= -0.027166 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.024070 logG= -0.028631 Density= 0.106420 ETOT(band)= -0.117121 trlgG= -0.146809 logG= -0.028631 TDE= -0.170840 logGD-logG0= -0.005305 tlogG= -0.024114 logG= -0.029419 Density= 0.108375 ETOT(band)= -0.115411 trlgG= -0.143982 logG= -0.027166 TDE= -0.170446 logGD-logG0= -0.004640 tlogG= -0.023229 logG= -0.027869 Density= 0.106765 ETOT(band)= -0.116592 trlgG= -0.145482 logG= -0.027869 TDE= -0.170446 Density= 0.107905 ETOT(band)= -0.116955 trlgG= -0.147602 logG= -0.029419 TDE= -0.171580 logGD-logG0= -0.004880 tlogG= -0.022876 logG= -0.027756 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.024119 logG= -0.029129 Density= 0.107768 ETOT(band)= -0.116069 trlgG= -0.144949 logG= -0.027756 TDE= -0.170522 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107402 ETOT(band)= -0.117009 trlgG= -0.147157 logG= -0.029129 TDE= -0.171176 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023633 logG= -0.028777 Density= 0.108218 ETOT(band)= -0.116407 trlgG= -0.146557 logG= -0.028777 TDE= -0.171332 logGD-logG0= -0.005113 tlogG= -0.023243 logG= -0.028356 logGD-logG0= -0.005296 tlogG= -0.024098 logG= -0.029393 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108210 ETOT(band)= -0.116183 trlgG= -0.145893 logG= -0.028356 TDE= -0.171085 Density= 0.107663 ETOT(band)= -0.117046 trlgG= -0.147537 logG= -0.029393 TDE= -0.171420 logGD-logG0= -0.005338 tlogG= -0.024160 logG= -0.029498 logGD-logG0= -0.005015 tlogG= -0.023668 logG= -0.028683 Density= 0.107004 ETOT(band)= -0.116904 trlgG= -0.146313 logG= -0.028683 TDE= -0.170581 Density= 0.107829 ETOT(band)= -0.117042 trlgG= -0.147727 logG= -0.029498 TDE= -0.171588 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023929 logG= -0.029257 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107771 ETOT(band)= -0.116913 trlgG= -0.147322 logG= -0.029257 TDE= -0.171395 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.022762 logG= -0.027808 logGD-logG0= -0.005127 tlogG= -0.022902 logG= -0.028029 Density= 0.107637 ETOT(band)= -0.116273 trlgG= -0.145361 logG= -0.028029 TDE= -0.170597 logGD-logG0= -0.005246 tlogG= -0.023993 logG= -0.029239 logGD-logG0= -0.004727 tlogG= -0.023013 logG= -0.027740 Density= 0.106900 ETOT(band)= -0.116462 trlgG= -0.145221 logG= -0.027740 TDE= -0.170381 logGD-logG0= -0.005303 tlogG= -0.023710 logG= -0.029013 Density= 0.107255 ETOT(band)= -0.116977 trlgG= -0.146865 logG= -0.029013 TDE= -0.170927 Density= 0.107466 ETOT(band)= -0.117031 trlgG= -0.147262 logG= -0.029239 TDE= -0.171202 Density= 0.108265 ETOT(band)= -0.115853 trlgG= -0.145026 logG= -0.027808 TDE= -0.170792 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.023712 logG= -0.028437 Density= 0.107002 ETOT(band)= -0.116814 trlgG= -0.146503 logG= -0.028437 TDE= -0.171016 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023899 logG= -0.029041 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004751 tlogG= -0.023524 logG= -0.028275 Density= 0.106802 ETOT(band)= -0.116783 trlgG= -0.145967 logG= -0.028275 TDE= -0.170542 Density= 0.108263 ETOT(band)= -0.116534 trlgG= -0.146978 logG= -0.029041 TDE= -0.171512 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.023918 logG= -0.028838 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106785 ETOT(band)= -0.117085 trlgG= -0.146924 logG= -0.028838 TDE= -0.170928 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004696 tlogG= -0.023693 logG= -0.028389 Density= 0.106628 ETOT(band)= -0.116929 trlgG= -0.146395 logG= -0.028389 TDE= -0.170771 logGD-logG0= -0.002636 tlogG= -0.012001 logG= -0.014638 logGD-logG0= -0.004898 tlogG= -0.024094 logG= -0.028992 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053991 ETOT(band)= -0.058407 trlgG= -0.073681 logG= -0.014638 TDE= -0.085761 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107082 ETOT(band)= -0.117068 trlgG= -0.147180 logG= -0.028992 TDE= -0.171178 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004365 tlogG= -0.023997 logG= -0.028363 Density= 0.106203 ETOT(band)= -0.117087 trlgG= -0.146685 logG= -0.028363 TDE= -0.170877 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022877 logG= -0.027635 Density= 0.107322 ETOT(band)= -0.116211 trlgG= -0.145072 logG= -0.027635 TDE= -0.170546 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023897 logG= -0.029189 Density= 0.107933 ETOT(band)= -0.116782 trlgG= -0.147218 logG= -0.029189 TDE= -0.171440 logGD-logG0= -0.009504 tlogG= -0.045812 logG= -0.055316 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215064 ETOT(band)= -0.232258 trlgG= -0.290048 logG= -0.055316 TDE= -0.341157 logGD-logG0= -0.009817 tlogG= -0.048295 logG= -0.058113 Density= 0.214450 ETOT(band)= -0.234096 trlgG= -0.294438 logG= -0.058113 TDE= -0.342446 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009142 tlogG= -0.047679 logG= -0.056821 Density= 0.212988 ETOT(band)= -0.233979 trlgG= -0.292921 logG= -0.056821 TDE= -0.341498 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005329 tlogG= -0.023607 logG= -0.028935 Density= 0.107818 ETOT(band)= -0.116685 trlgG= -0.146802 logG= -0.028935 TDE= -0.171221 logGD-logG0= -0.009784 tlogG= -0.045641 logG= -0.055425 Density= 0.214414 ETOT(band)= -0.232605 trlgG= -0.290222 logG= -0.055425 TDE= -0.340900 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010539 tlogG= -0.047800 logG= -0.058339 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214803 ETOT(band)= -0.234024 trlgG= -0.294276 logG= -0.058339 TDE= -0.342232 logGD-logG0= -0.009683 tlogG= -0.047210 logG= -0.056893 Density= 0.213822 ETOT(band)= -0.233685 trlgG= -0.292857 logG= -0.056893 TDE= -0.341774 logGD-logG0= -0.005280 tlogG= -0.024085 logG= -0.029366 logGD-logG0= -0.009963 tlogG= -0.047952 logG= -0.057914 Density= 0.107964 ETOT(band)= -0.116888 trlgG= -0.147514 logG= -0.029366 TDE= -0.171575 logGD-logG0= -0.009570 tlogG= -0.047981 logG= -0.057551 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213332 ETOT(band)= -0.234191 trlgG= -0.293569 logG= -0.057551 TDE= -0.341586 logGD-logG0= -0.010494 tlogG= -0.048135 logG= -0.058629 Density= 0.215114 ETOT(band)= -0.234079 trlgG= -0.294789 logG= -0.058629 TDE= -0.342608 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009456 tlogG= -0.047499 logG= -0.056955 Density= 0.214362 ETOT(band)= -0.233519 trlgG= -0.292991 logG= -0.056955 TDE= -0.342114 Density= 0.214022 ETOT(band)= -0.234132 trlgG= -0.294123 logG= -0.057914 TDE= -0.342117 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009844 tlogG= -0.047205 logG= -0.057049 Density= 0.213833 ETOT(band)= -0.233730 trlgG= -0.292650 logG= -0.057049 TDE= -0.341416 logGD-logG0= -0.005318 tlogG= -0.023223 logG= -0.028541 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107703 ETOT(band)= -0.116522 trlgG= -0.146171 logG= -0.028541 TDE= -0.170927 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009888 tlogG= -0.045702 logG= -0.055590 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215195 ETOT(band)= -0.232335 trlgG= -0.290042 logG= -0.055590 TDE= -0.340941 logGD-logG0= -0.010342 tlogG= -0.048034 logG= -0.058375 logGD-logG0= -0.010575 tlogG= -0.048069 logG= -0.058644 Density= 0.215150 ETOT(band)= -0.234070 trlgG= -0.294816 logG= -0.058644 TDE= -0.342639 Density= 0.215117 ETOT(band)= -0.233934 trlgG= -0.294372 logG= -0.058375 TDE= -0.342447 logGD-logG0= -0.001629 tlogG= -0.007001 logG= -0.008630 Density= 0.036200 ETOT(band)= -0.038121 trlgG= -0.047259 logG= -0.008630 TDE= -0.056542 logGD-logG0= -0.010086 tlogG= -0.048081 logG= -0.058168 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.047840 logG= -0.058243 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214580 ETOT(band)= -0.234044 trlgG= -0.294189 logG= -0.058168 TDE= -0.342206 Density= 0.214703 ETOT(band)= -0.234017 trlgG= -0.294105 logG= -0.058243 TDE= -0.342108 logGD-logG0= -0.001696 tlogG= -0.007312 logG= -0.009009 Density= 0.035851 ETOT(band)= -0.038568 trlgG= -0.047917 logG= -0.009009 TDE= -0.056650 logGD-logG0= -0.010203 tlogG= -0.047712 logG= -0.057915 Density= 0.214002 ETOT(band)= -0.234119 trlgG= -0.293875 logG= -0.057915 TDE= -0.341860 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010200 tlogG= -0.046466 logG= -0.056666 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010559 tlogG= -0.047996 logG= -0.058554 Density= 0.215931 ETOT(band)= -0.233648 trlgG= -0.294730 logG= -0.058554 TDE= -0.343029 Density= 0.215259 ETOT(band)= -0.232899 trlgG= -0.291677 logG= -0.056666 TDE= -0.341532 logGD-logG0= -0.010633 tlogG= -0.047583 logG= -0.058216 logGD-logG0= -0.010687 tlogG= -0.048201 logG= -0.058888 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215464 ETOT(band)= -0.234098 trlgG= -0.295255 logG= -0.058888 TDE= -0.342989 Density= 0.215737 ETOT(band)= -0.233531 trlgG= -0.294166 logG= -0.058216 TDE= -0.342708 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010429 tlogG= -0.047362 logG= -0.057791 Density= 0.214312 ETOT(band)= -0.233914 trlgG= -0.293354 logG= -0.057791 TDE= -0.341615 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002410 tlogG= -0.010440 logG= -0.012850 Density= 0.054384 ETOT(band)= -0.057064 trlgG= -0.070710 logG= -0.012850 TDE= -0.084772 logGD-logG0= -0.002471 tlogG= -0.010854 logG= -0.013325 Density= 0.054072 ETOT(band)= -0.057580 trlgG= -0.071555 logG= -0.013325 TDE= -0.084987 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010613 tlogG= -0.047944 logG= -0.058557 Density= 0.215804 ETOT(band)= -0.233720 trlgG= -0.294730 logG= -0.058557 TDE= -0.342964 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010597 tlogG= -0.047477 logG= -0.058074 Density= 0.215507 ETOT(band)= -0.233569 trlgG= -0.293924 logG= -0.058074 TDE= -0.342493 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.046934 logG= -0.057573 logGD-logG0= -0.009811 tlogG= -0.047276 logG= -0.057087 Density= 0.215470 ETOT(band)= -0.233292 trlgG= -0.293123 logG= -0.057573 TDE= -0.342175 Density= 0.214526 ETOT(band)= -0.233482 trlgG= -0.292766 logG= -0.057087 TDE= -0.341837 logGD-logG0= -0.010112 tlogG= -0.047206 logG= -0.057318 Density= 0.215194 ETOT(band)= -0.233300 trlgG= -0.292694 logG= -0.057318 TDE= -0.341865 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.022434 logG= -0.027463 Density= 0.107656 ETOT(band)= -0.115940 trlgG= -0.144465 logG= -0.027463 TDE= -0.170276 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.021903 logG= -0.026907 Density= 0.108340 ETOT(band)= -0.115226 trlgG= -0.143534 logG= -0.026907 TDE= -0.170239 logGD-logG0= -0.004918 tlogG= -0.021593 logG= -0.026511 Density= 0.108528 ETOT(band)= -0.114861 trlgG= -0.142855 logG= -0.026511 TDE= -0.170050 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004837 tlogG= -0.021017 logG= -0.025855 Density= 0.108722 ETOT(band)= -0.114274 trlgG= -0.141700 logG= -0.025855 TDE= -0.169646 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.021843 logG= -0.026929 Density= 0.107809 ETOT(band)= -0.115513 trlgG= -0.143592 logG= -0.026929 TDE= -0.170012 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005027 tlogG= -0.021720 logG= -0.026747 Density= 0.107951 ETOT(band)= -0.115321 trlgG= -0.143283 logG= -0.026747 TDE= -0.169956 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010048 tlogG= -0.043441 logG= -0.053489 Density= 0.216313 ETOT(band)= -0.230433 trlgG= -0.286545 logG= -0.053489 TDE= -0.340098 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005755 logG= -0.007016 Density= 0.080653 ETOT(band)= -0.087381 trlgG= -0.109631 logG= -0.007016 TDE= -0.042741 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005946 logG= -0.007226 Density= 0.080846 ETOT(band)= -0.087633 trlgG= -0.110385 logG= -0.007226 TDE= -0.042861 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005626 logG= -0.006866 Density= 0.080853 ETOT(band)= -0.086953 trlgG= -0.108629 logG= -0.006866 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005862 logG= -0.007138 Density= 0.080665 ETOT(band)= -0.087596 trlgG= -0.110187 logG= -0.007138 TDE= -0.042807 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001437 tlogG= -0.007973 logG= -0.009410 Density= 0.070889 ETOT(band)= -0.077930 trlgG= -0.097464 logG= -0.009410 TDE= -0.056954 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023826 logG= -0.029096 Density= 0.215375 ETOT(band)= -0.233722 trlgG= -0.294227 logG= -0.029096 TDE= -0.171404 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023510 logG= -0.028773 Density= 0.215258 ETOT(band)= -0.233286 trlgG= -0.292962 logG= -0.028773 TDE= -0.171147 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.024027 logG= -0.029227 Density= 0.216386 ETOT(band)= -0.233306 trlgG= -0.294414 logG= -0.029227 TDE= -0.171574 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024028 logG= -0.029265 logGD-logG0= -0.005329 tlogG= -0.024149 logG= -0.029478 Density= 0.215723 ETOT(band)= -0.233819 trlgG= -0.294884 logG= -0.029265 TDE= -0.171556 Density= 0.215756 ETOT(band)= -0.233975 trlgG= -0.295299 logG= -0.029478 TDE= -0.171588 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004312 tlogG= -0.024155 logG= -0.028466 Density= 0.212242 ETOT(band)= -0.234311 trlgG= -0.293719 logG= -0.028466 TDE= -0.170953 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005990 logG= -0.007270 Density= 0.081073 ETOT(band)= -0.087538 trlgG= -0.110440 logG= -0.007270 TDE= -0.042891 logGD-logG0= -0.004445 tlogG= -0.023763 logG= -0.028209 logGD-logG0= -0.004783 tlogG= -0.024031 logG= -0.028815 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321640 ETOT(band)= -0.351037 trlgG= -0.441413 logG= -0.028815 TDE= -0.171203 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213149 ETOT(band)= -0.233530 trlgG= -0.291802 logG= -0.028209 TDE= -0.170755 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.022467 logG= -0.027596 Density= 0.216406 ETOT(band)= -0.231249 trlgG= -0.288666 logG= -0.027596 TDE= -0.170547 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004615 tlogG= -0.023914 logG= -0.028529 Density= 0.213341 ETOT(band)= -0.233807 trlgG= -0.292534 logG= -0.028529 TDE= -0.170760 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023997 logG= -0.028585 logGD-logG0= -0.005219 tlogG= -0.023442 logG= -0.028661 Density= 0.212872 ETOT(band)= -0.234213 trlgG= -0.293525 logG= -0.028585 TDE= -0.170808 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.045683 logG= -0.055882 logGD-logG0= -0.005213 tlogG= -0.023789 logG= -0.029002 Density= 0.324101 ETOT(band)= -0.347890 trlgG= -0.435058 logG= -0.055882 TDE= -0.341416 Density= 0.216232 ETOT(band)= -0.232622 trlgG= -0.292267 logG= -0.028661 TDE= -0.171168 logGD-logG0= -0.005089 tlogG= -0.023982 logG= -0.029072 Density= 0.214389 ETOT(band)= -0.234048 trlgG= -0.293962 logG= -0.029072 TDE= -0.171041 Density= 0.216311 ETOT(band)= -0.233003 trlgG= -0.293476 logG= -0.029002 TDE= -0.171406 logGD-logG0= -0.001190 tlogG= -0.005178 logG= -0.006368 Density= 0.062555 ETOT(band)= -0.067530 trlgG= -0.084222 logG= -0.006368 TDE= -0.042355 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001586 tlogG= -0.006883 logG= -0.008469 Density= 0.040852 ETOT(band)= -0.042668 trlgG= -0.052812 logG= -0.008469 TDE= -0.056456 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.024188 logG= -0.029243 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.023872 logG= -0.028958 Density= 0.322506 ETOT(band)= -0.351157 trlgG= -0.442098 logG= -0.029243 TDE= -0.171209 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215535 ETOT(band)= -0.233719 trlgG= -0.294332 logG= -0.028958 TDE= -0.171091 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010430 tlogG= -0.047840 logG= -0.058270 Density= 0.324399 ETOT(band)= -0.349863 trlgG= -0.441117 logG= -0.058270 TDE= -0.342988 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.023908 logG= -0.028836 logGD-logG0= -0.009706 tlogG= -0.046657 logG= -0.056362 logGD-logG0= -0.005191 tlogG= -0.022996 logG= -0.028186 Density= 0.216261 ETOT(band)= -0.232047 trlgG= -0.290650 logG= -0.028186 TDE= -0.170881 logGD-logG0= -0.005030 tlogG= -0.024183 logG= -0.029212 Density= 0.214787 ETOT(band)= -0.234123 trlgG= -0.294580 logG= -0.029212 TDE= -0.171214 Density= 0.322773 ETOT(band)= -0.348950 trlgG= -0.436483 logG= -0.056362 TDE= -0.341567 Density= 0.213843 ETOT(band)= -0.233959 trlgG= -0.293050 logG= -0.028836 TDE= -0.170770 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023393 logG= -0.028088 Density= 0.321712 ETOT(band)= -0.349988 trlgG= -0.438835 logG= -0.028088 TDE= -0.170878 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.047290 logG= -0.057765 Density= 0.324184 ETOT(band)= -0.349494 trlgG= -0.439767 logG= -0.057765 TDE= -0.342596 logGD-logG0= -0.005194 tlogG= -0.023984 logG= -0.029177 Density= 0.216419 ETOT(band)= -0.233202 trlgG= -0.294182 logG= -0.029177 TDE= -0.171547 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.048094 logG= -0.058807 Density= 0.323306 ETOT(band)= -0.350926 trlgG= -0.442450 logG= -0.058807 TDE= -0.342979 logGD-logG0= -0.004751 tlogG= -0.024032 logG= -0.028783 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214173 ETOT(band)= -0.234037 trlgG= -0.294177 logG= -0.028783 TDE= -0.171208 logGD-logG0= -0.005378 tlogG= -0.023925 logG= -0.029302 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215683 ETOT(band)= -0.233722 trlgG= -0.294612 logG= -0.029302 TDE= -0.171412 logGD-logG0= -0.004845 tlogG= -0.023862 logG= -0.028707 logGD-logG0= -0.005362 tlogG= -0.023984 logG= -0.029346 Density= 0.213630 ETOT(band)= -0.234095 trlgG= -0.293784 logG= -0.028707 TDE= -0.171026 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323715 ETOT(band)= -0.350603 trlgG= -0.442200 logG= -0.029346 TDE= -0.171460 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023270 logG= -0.028064 logGD-logG0= -0.005260 tlogG= -0.024111 logG= -0.029371 Density= 0.213557 ETOT(band)= -0.233561 trlgG= -0.292266 logG= -0.028064 TDE= -0.170722 logGD-logG0= -0.001577 tlogG= -0.007596 logG= -0.009173 Density= 0.071514 ETOT(band)= -0.077332 trlgG= -0.096172 logG= -0.009173 TDE= -0.056729 Density= 0.323123 ETOT(band)= -0.351133 trlgG= -0.442752 logG= -0.029371 TDE= -0.171402 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023396 logG= -0.028059 Density= 0.214236 ETOT(band)= -0.233323 trlgG= -0.292383 logG= -0.028059 TDE= -0.170886 logGD-logG0= -0.005181 tlogG= -0.023220 logG= -0.028401 Density= 0.214915 ETOT(band)= -0.232911 trlgG= -0.291273 logG= -0.028401 TDE= -0.170597 logGD-logG0= -0.010471 tlogG= -0.046469 logG= -0.056941 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324052 ETOT(band)= -0.348835 trlgG= -0.437678 logG= -0.056941 TDE= -0.342039 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023271 logG= -0.028312 Density= 0.321776 ETOT(band)= -0.350497 trlgG= -0.439689 logG= -0.028312 TDE= -0.170834 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008981 tlogG= -0.048143 logG= -0.057124 Density= 0.425663 ETOT(band)= -0.468225 trlgG= -0.586535 logG= -0.057124 TDE= -0.341731 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010166 tlogG= -0.048200 logG= -0.058366 Density= 0.429394 ETOT(band)= -0.468179 trlgG= -0.588720 logG= -0.058366 TDE= -0.342268 logGD-logG0= -0.009473 tlogG= -0.046761 logG= -0.056233 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428002 ETOT(band)= -0.466029 trlgG= -0.581936 logG= -0.056233 TDE= -0.341174 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005425 tlogG= -0.023711 logG= -0.029136 Density= 0.215448 ETOT(band)= -0.233572 trlgG= -0.293912 logG= -0.029136 TDE= -0.171234 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009662 tlogG= -0.047890 logG= -0.057553 Density= 0.428143 ETOT(band)= -0.468057 trlgG= -0.587939 logG= -0.057553 TDE= -0.342221 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.048274 logG= -0.058573 Density= 0.430124 ETOT(band)= -0.468187 trlgG= -0.589492 logG= -0.058573 TDE= -0.342482 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047720 logG= -0.057996 Density= 0.428393 ETOT(band)= -0.468043 trlgG= -0.587274 logG= -0.057996 TDE= -0.341862 logGD-logG0= -0.004919 tlogG= -0.021329 logG= -0.026249 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162671 ETOT(band)= -0.172963 trlgG= -0.215968 logG= -0.026249 TDE= -0.169862 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010509 tlogG= -0.048124 logG= -0.058633 logGD-logG0= -0.009671 tlogG= -0.047700 logG= -0.057372 Density= 0.426790 ETOT(band)= -0.468261 trlgG= -0.587062 logG= -0.057372 TDE= -0.341751 logGD-logG0= -0.010335 tlogG= -0.048009 logG= -0.058343 Density= 0.429298 ETOT(band)= -0.468140 trlgG= -0.588364 logG= -0.058343 TDE= -0.342108 logGD-logG0= -0.009525 tlogG= -0.046658 logG= -0.056184 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428204 ETOT(band)= -0.466752 trlgG= -0.584544 logG= -0.056184 TDE= -0.341591 Density= 0.430229 ETOT(band)= -0.468018 trlgG= -0.589165 logG= -0.058633 TDE= -0.342608 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.046452 logG= -0.056406 Density= 0.429627 ETOT(band)= -0.465469 trlgG= -0.581622 logG= -0.056406 TDE= -0.341287 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009838 tlogG= -0.047905 logG= -0.057744 Density= 0.429231 ETOT(band)= -0.467840 trlgG= -0.587921 logG= -0.057744 TDE= -0.342209 logGD-logG0= -0.009625 tlogG= -0.047819 logG= -0.057444 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010781 tlogG= -0.047746 logG= -0.058527 Density= 0.427289 ETOT(band)= -0.467814 trlgG= -0.585918 logG= -0.057444 TDE= -0.341453 Density= 0.431168 ETOT(band)= -0.467392 trlgG= -0.588820 logG= -0.058527 TDE= -0.342732 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010338 tlogG= -0.046983 logG= -0.057321 Density= 0.429970 ETOT(band)= -0.466389 trlgG= -0.584325 logG= -0.057321 TDE= -0.341577 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010677 tlogG= -0.047783 logG= -0.058461 Density= 0.430831 ETOT(band)= -0.467446 trlgG= -0.588457 logG= -0.058461 TDE= -0.342625 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.048071 logG= -0.058777 Density= 0.431407 ETOT(band)= -0.467676 trlgG= -0.589813 logG= -0.058777 TDE= -0.342997 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010019 tlogG= -0.047611 logG= -0.057629 Density= 0.428708 ETOT(band)= -0.467388 trlgG= -0.586315 logG= -0.057629 TDE= -0.341907 logGD-logG0= -0.004501 tlogG= -0.023610 logG= -0.028111 Density= 0.212685 ETOT(band)= -0.233934 trlgG= -0.292774 logG= -0.028111 TDE= -0.170671 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005314 logG= -0.006522 Density= 0.081568 ETOT(band)= -0.085676 trlgG= -0.106237 logG= -0.006522 TDE= -0.042456 logGD-logG0= -0.010262 tlogG= -0.047623 logG= -0.057885 logGD-logG0= -0.004848 tlogG= -0.022353 logG= -0.027201 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430097 ETOT(band)= -0.467037 trlgG= -0.586256 logG= -0.057885 TDE= -0.342022 Density= 0.322939 ETOT(band)= -0.347918 trlgG= -0.434094 logG= -0.027201 TDE= -0.170227 logGD-logG0= -0.010737 tlogG= -0.047322 logG= -0.058059 Density= 0.430564 ETOT(band)= -0.467020 trlgG= -0.586983 logG= -0.058059 TDE= -0.342241 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005446 tlogG= -0.023382 logG= -0.028828 Density= 0.215150 ETOT(band)= -0.233312 trlgG= -0.292770 logG= -0.028828 TDE= -0.170941 logGD-logG0= -0.001228 tlogG= -0.005475 logG= -0.006703 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081213 ETOT(band)= -0.086342 trlgG= -0.107395 logG= -0.006703 TDE= -0.042568 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001697 tlogG= -0.007126 logG= -0.008823 Density= 0.072240 ETOT(band)= -0.076469 trlgG= -0.094864 logG= -0.008823 TDE= -0.056617 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009991 tlogG= -0.044675 logG= -0.054666 Density= 0.324342 ETOT(band)= -0.346621 trlgG= -0.432050 logG= -0.054666 TDE= -0.340739 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022317 logG= -0.027278 Density= 0.214313 ETOT(band)= -0.232393 trlgG= -0.289490 logG= -0.027278 TDE= -0.170145 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022497 logG= -0.027427 Density= 0.215069 ETOT(band)= -0.231621 trlgG= -0.288100 logG= -0.027427 TDE= -0.170158 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.022352 logG= -0.027160 Density= 0.215075 ETOT(band)= -0.231910 trlgG= -0.289142 logG= -0.027160 TDE= -0.170232 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004980 tlogG= -0.022929 logG= -0.027910 Density= 0.214845 ETOT(band)= -0.232355 trlgG= -0.289742 logG= -0.027910 TDE= -0.170410 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.021907 logG= -0.026999 Density= 0.216660 ETOT(band)= -0.230253 trlgG= -0.286552 logG= -0.026999 TDE= -0.170207 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005002 tlogG= -0.021379 logG= -0.026381 Density= 0.217049 ETOT(band)= -0.229147 trlgG= -0.284350 logG= -0.026381 TDE= -0.169875 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.021234 logG= -0.026194 Density= 0.216381 ETOT(band)= -0.230004 trlgG= -0.285603 logG= -0.026194 TDE= -0.169782 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044676 logG= -0.054518 Density= 0.431687 ETOT(band)= -0.462006 trlgG= -0.574857 logG= -0.054518 TDE= -0.340372 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.760052658823 eV TrLogG= -407.375580056451 eV Ratio to renormalize= 0.999819890049 rho-rho_expected= 0.003963132717 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 70) Finished k-point number 142 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964553598232603 0.940206001182665 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001492 tlogG= -0.007818 logG= -0.009310 Density= 0.035503 ETOT(band)= -0.038914 trlgG= -0.048610 logG= -0.009310 TDE= -0.056868 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008051 logG= -0.009462 Density= 0.035325 ETOT(band)= -0.039064 trlgG= -0.048973 logG= -0.009462 TDE= -0.056992 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004727 tlogG= -0.023011 logG= -0.027738 Density= 0.106900 ETOT(band)= -0.116459 trlgG= -0.145217 logG= -0.027738 TDE= -0.170379 logGD-logG0= -0.004751 tlogG= -0.023522 logG= -0.028274 Density= 0.106802 ETOT(band)= -0.116781 trlgG= -0.145963 logG= -0.028274 TDE= -0.170540 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011895 logG= -0.014229 Density= 0.053574 ETOT(band)= -0.058386 trlgG= -0.073272 logG= -0.014229 TDE= -0.085554 logGD-logG0= -0.002611 tlogG= -0.012044 logG= -0.014655 Density= 0.053773 ETOT(band)= -0.058521 trlgG= -0.073693 logG= -0.014655 TDE= -0.085647 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000854 logG= -0.001050 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005853 logG= -0.001050 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002429 tlogG= -0.012094 logG= -0.014522 Density= 0.053596 ETOT(band)= -0.058531 trlgG= -0.073634 logG= -0.014522 TDE= -0.085634 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011460 logG= -0.013800 Density= 0.053748 ETOT(band)= -0.058057 trlgG= -0.072508 logG= -0.013800 TDE= -0.085305 logGD-logG0= -0.001629 tlogG= -0.007000 logG= -0.008630 Density= 0.036200 ETOT(band)= -0.038120 trlgG= -0.047257 logG= -0.008630 TDE= -0.056541 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001696 tlogG= -0.007312 logG= -0.009008 Density= 0.035851 ETOT(band)= -0.038567 trlgG= -0.047916 logG= -0.009008 TDE= -0.056649 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002568 tlogG= -0.011997 logG= -0.014564 Density= 0.054144 ETOT(band)= -0.058286 trlgG= -0.073559 logG= -0.014564 TDE= -0.085788 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023456 logG= -0.028618 logGD-logG0= -0.004338 tlogG= -0.024073 logG= -0.028411 Density= 0.108146 ETOT(band)= -0.116357 trlgG= -0.146307 logG= -0.028618 TDE= -0.171205 Density= 0.106152 ETOT(band)= -0.117129 trlgG= -0.146794 logG= -0.028411 TDE= -0.170912 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.024096 logG= -0.029392 logGD-logG0= -0.004365 tlogG= -0.023996 logG= -0.028361 Density= 0.106203 ETOT(band)= -0.117085 trlgG= -0.146681 logG= -0.028361 TDE= -0.170875 logGD-logG0= -0.005168 tlogG= -0.023789 logG= -0.028957 Density= 0.108192 ETOT(band)= -0.116520 trlgG= -0.146844 logG= -0.028957 TDE= -0.171426 Density= 0.107662 ETOT(band)= -0.117043 trlgG= -0.147532 logG= -0.029392 TDE= -0.171417 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.022196 logG= -0.027164 logGD-logG0= -0.005155 tlogG= -0.023975 logG= -0.029130 Density= 0.108375 ETOT(band)= -0.115408 trlgG= -0.143978 logG= -0.027164 TDE= -0.170443 logGD-logG0= -0.004640 tlogG= -0.023227 logG= -0.027867 Density= 0.106765 ETOT(band)= -0.116590 trlgG= -0.145478 logG= -0.027867 TDE= -0.170444 logGD-logG0= -0.005120 tlogG= -0.023008 logG= -0.028128 Density= 0.108152 ETOT(band)= -0.116087 trlgG= -0.145532 logG= -0.028128 TDE= -0.170923 Density= 0.108243 ETOT(band)= -0.116595 trlgG= -0.147123 logG= -0.029130 TDE= -0.171556 logGD-logG0= -0.005051 tlogG= -0.022483 logG= -0.027534 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.022874 logG= -0.027754 Density= 0.107768 ETOT(band)= -0.116067 trlgG= -0.144945 logG= -0.027754 TDE= -0.170520 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108220 ETOT(band)= -0.115714 trlgG= -0.144585 logG= -0.027534 TDE= -0.170603 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.024068 logG= -0.028629 Density= 0.106420 ETOT(band)= -0.117119 trlgG= -0.146805 logG= -0.028629 TDE= -0.170838 logGD-logG0= -0.005306 tlogG= -0.024112 logG= -0.029417 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107905 ETOT(band)= -0.116953 trlgG= -0.147598 logG= -0.029417 TDE= -0.171577 logGD-logG0= -0.002636 tlogG= -0.012000 logG= -0.014637 logGD-logG0= -0.005338 tlogG= -0.024158 logG= -0.029496 Density= 0.053991 ETOT(band)= -0.058406 trlgG= -0.073679 logG= -0.014637 TDE= -0.085760 logGD-logG0= -0.004918 tlogG= -0.021591 logG= -0.026509 Density= 0.108528 ETOT(band)= -0.114859 trlgG= -0.142851 logG= -0.026509 TDE= -0.170047 logGD-logG0= -0.005328 tlogG= -0.023927 logG= -0.029255 Density= 0.107770 ETOT(band)= -0.116910 trlgG= -0.147318 logG= -0.029255 TDE= -0.171393 logGD-logG0= -0.005113 tlogG= -0.023241 logG= -0.028354 Density= 0.108210 ETOT(band)= -0.116181 trlgG= -0.145889 logG= -0.028354 TDE= -0.171082 Density= 0.107829 ETOT(band)= -0.117040 trlgG= -0.147722 logG= -0.029496 TDE= -0.171586 logGD-logG0= -0.005029 tlogG= -0.022432 logG= -0.027461 Density= 0.107656 ETOT(band)= -0.115937 trlgG= -0.144461 logG= -0.027461 TDE= -0.170273 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005014 tlogG= -0.023667 logG= -0.028681 logGD-logG0= -0.005010 tlogG= -0.024117 logG= -0.029127 logGD-logG0= -0.005246 tlogG= -0.023991 logG= -0.029238 Density= 0.107465 ETOT(band)= -0.117028 trlgG= -0.147258 logG= -0.029238 TDE= -0.171199 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107402 ETOT(band)= -0.117006 trlgG= -0.147153 logG= -0.029127 TDE= -0.171174 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107004 ETOT(band)= -0.116901 trlgG= -0.146309 logG= -0.028681 TDE= -0.170579 logGD-logG0= -0.005142 tlogG= -0.023897 logG= -0.029039 Density= 0.108263 ETOT(band)= -0.116531 trlgG= -0.146974 logG= -0.029039 TDE= -0.171509 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.023712 logG= -0.028559 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107401 ETOT(band)= -0.116695 trlgG= -0.146411 logG= -0.028559 TDE= -0.171000 logGD-logG0= -0.005047 tlogG= -0.022760 logG= -0.027807 Density= 0.108264 ETOT(band)= -0.115851 trlgG= -0.145021 logG= -0.027807 TDE= -0.170789 logGD-logG0= -0.004696 tlogG= -0.023691 logG= -0.028387 Density= 0.106628 ETOT(band)= -0.116926 trlgG= -0.146391 logG= -0.028387 TDE= -0.170768 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.022900 logG= -0.028027 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023708 logG= -0.029011 Density= 0.107255 ETOT(band)= -0.116975 trlgG= -0.146861 logG= -0.029011 TDE= -0.170925 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107637 ETOT(band)= -0.116271 trlgG= -0.145357 logG= -0.028027 TDE= -0.170594 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.023710 logG= -0.028435 Density= 0.107002 ETOT(band)= -0.116811 trlgG= -0.146499 logG= -0.028435 TDE= -0.171014 logGD-logG0= -0.005144 tlogG= -0.023631 logG= -0.028775 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.024093 logG= -0.028990 Density= 0.107081 ETOT(band)= -0.117066 trlgG= -0.147176 logG= -0.028990 TDE= -0.171175 Density= 0.108218 ETOT(band)= -0.116405 trlgG= -0.146553 logG= -0.028775 TDE= -0.171329 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023222 logG= -0.028539 Density= 0.107703 ETOT(band)= -0.116520 trlgG= -0.146167 logG= -0.028539 TDE= -0.170924 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023895 logG= -0.029187 Density= 0.107932 ETOT(band)= -0.116780 trlgG= -0.147214 logG= -0.029187 TDE= -0.171437 logGD-logG0= -0.004757 tlogG= -0.022876 logG= -0.027633 logGD-logG0= -0.005281 tlogG= -0.024083 logG= -0.029364 Density= 0.107321 ETOT(band)= -0.116209 trlgG= -0.145068 logG= -0.027633 TDE= -0.170543 logGD-logG0= -0.005329 tlogG= -0.023605 logG= -0.028933 Density= 0.107818 ETOT(band)= -0.116683 trlgG= -0.146798 logG= -0.028933 TDE= -0.171218 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107964 ETOT(band)= -0.116886 trlgG= -0.147510 logG= -0.029364 TDE= -0.171572 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009817 tlogG= -0.048292 logG= -0.058109 Density= 0.214450 ETOT(band)= -0.234092 trlgG= -0.294430 logG= -0.058109 TDE= -0.342441 logGD-logG0= -0.004920 tlogG= -0.023916 logG= -0.028836 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106785 ETOT(band)= -0.117082 trlgG= -0.146920 logG= -0.028836 TDE= -0.170926 logGD-logG0= -0.009505 tlogG= -0.045808 logG= -0.055313 Density= 0.215064 ETOT(band)= -0.232254 trlgG= -0.290041 logG= -0.055313 TDE= -0.341152 logGD-logG0= -0.009142 tlogG= -0.047676 logG= -0.056818 Density= 0.212988 ETOT(band)= -0.233974 trlgG= -0.292914 logG= -0.056818 TDE= -0.341493 logGD-logG0= -0.009784 tlogG= -0.045638 logG= -0.055422 logGD-logG0= -0.009963 tlogG= -0.047948 logG= -0.057911 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214414 ETOT(band)= -0.232600 trlgG= -0.290214 logG= -0.055422 TDE= -0.340896 Density= 0.214021 ETOT(band)= -0.234127 trlgG= -0.294115 logG= -0.057911 TDE= -0.342112 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009683 tlogG= -0.047207 logG= -0.056890 Density= 0.213822 ETOT(band)= -0.233680 trlgG= -0.292849 logG= -0.056890 TDE= -0.341769 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009456 tlogG= -0.047495 logG= -0.056951 Density= 0.214362 ETOT(band)= -0.233514 trlgG= -0.292983 logG= -0.056951 TDE= -0.342109 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009844 tlogG= -0.047202 logG= -0.057046 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213832 ETOT(band)= -0.233725 trlgG= -0.292641 logG= -0.057046 TDE= -0.341411 logGD-logG0= -0.010539 tlogG= -0.047796 logG= -0.058335 Density= 0.214802 ETOT(band)= -0.234019 trlgG= -0.294267 logG= -0.058335 TDE= -0.342227 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010494 tlogG= -0.048131 logG= -0.058626 Density= 0.215113 ETOT(band)= -0.234074 trlgG= -0.294780 logG= -0.058626 TDE= -0.342603 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010203 tlogG= -0.047709 logG= -0.057911 logGD-logG0= -0.009888 tlogG= -0.045698 logG= -0.055587 Density= 0.215194 ETOT(band)= -0.232330 trlgG= -0.290034 logG= -0.055587 TDE= -0.340936 Density= 0.214002 ETOT(band)= -0.234114 trlgG= -0.293867 logG= -0.057911 TDE= -0.341855 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.047836 logG= -0.058239 logGD-logG0= -0.010342 tlogG= -0.048030 logG= -0.058372 Density= 0.215116 ETOT(band)= -0.233929 trlgG= -0.294363 logG= -0.058372 TDE= -0.342441 logGD-logG0= -0.010575 tlogG= -0.048065 logG= -0.058640 Density= 0.215150 ETOT(band)= -0.234066 trlgG= -0.294807 logG= -0.058640 TDE= -0.342633 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214702 ETOT(band)= -0.234012 trlgG= -0.294097 logG= -0.058239 TDE= -0.342103 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010086 tlogG= -0.048078 logG= -0.058164 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010687 tlogG= -0.048197 logG= -0.058884 Density= 0.214579 ETOT(band)= -0.234040 trlgG= -0.294180 logG= -0.058164 TDE= -0.342201 logGD-logG0= -0.002472 tlogG= -0.010853 logG= -0.013324 Density= 0.054072 ETOT(band)= -0.057579 trlgG= -0.071553 logG= -0.013324 TDE= -0.084986 Density= 0.215463 ETOT(band)= -0.234093 trlgG= -0.295246 logG= -0.058884 TDE= -0.342984 logGD-logG0= -0.010633 tlogG= -0.047579 logG= -0.058212 logGD-logG0= -0.010559 tlogG= -0.047992 logG= -0.058551 Density= 0.215931 ETOT(band)= -0.233644 trlgG= -0.294721 logG= -0.058551 TDE= -0.343024 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215737 ETOT(band)= -0.233526 trlgG= -0.294158 logG= -0.058212 TDE= -0.342703 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010429 tlogG= -0.047358 logG= -0.057788 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214312 ETOT(band)= -0.233910 trlgG= -0.293346 logG= -0.057788 TDE= -0.341610 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.046463 logG= -0.056663 Density= 0.215258 ETOT(band)= -0.232894 trlgG= -0.291669 logG= -0.056663 TDE= -0.341527 logGD-logG0= -0.002410 tlogG= -0.010439 logG= -0.012850 Density= 0.054384 ETOT(band)= -0.057063 trlgG= -0.070709 logG= -0.012850 TDE= -0.084771 logGD-logG0= -0.010597 tlogG= -0.047473 logG= -0.058070 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215507 ETOT(band)= -0.233564 trlgG= -0.293915 logG= -0.058070 TDE= -0.342488 logGD-logG0= -0.010639 tlogG= -0.046931 logG= -0.057570 logGD-logG0= -0.010613 tlogG= -0.047940 logG= -0.058554 Density= 0.215469 ETOT(band)= -0.233287 trlgG= -0.293114 logG= -0.057570 TDE= -0.342169 Density= 0.215804 ETOT(band)= -0.233715 trlgG= -0.294722 logG= -0.058554 TDE= -0.342959 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010112 tlogG= -0.047202 logG= -0.057315 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215194 ETOT(band)= -0.233296 trlgG= -0.292686 logG= -0.057315 TDE= -0.341860 logGD-logG0= -0.009811 tlogG= -0.047273 logG= -0.057084 Density= 0.214526 ETOT(band)= -0.233477 trlgG= -0.292758 logG= -0.057084 TDE= -0.341832 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.021842 logG= -0.026928 Density= 0.107809 ETOT(band)= -0.115510 trlgG= -0.143588 logG= -0.026928 TDE= -0.170009 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021901 logG= -0.026906 Density= 0.108339 ETOT(band)= -0.115224 trlgG= -0.143530 logG= -0.026906 TDE= -0.170236 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004838 tlogG= -0.021016 logG= -0.025853 Density= 0.108722 ETOT(band)= -0.114272 trlgG= -0.141696 logG= -0.025853 TDE= -0.169644 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009570 tlogG= -0.047978 logG= -0.057547 Density= 0.213331 ETOT(band)= -0.234186 trlgG= -0.293561 logG= -0.057547 TDE= -0.341581 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010048 tlogG= -0.043438 logG= -0.053486 Density= 0.216312 ETOT(band)= -0.230429 trlgG= -0.286537 logG= -0.053486 TDE= -0.340093 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005027 tlogG= -0.021719 logG= -0.026745 Density= 0.107950 ETOT(band)= -0.115319 trlgG= -0.143279 logG= -0.026745 TDE= -0.169953 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004312 tlogG= -0.024153 logG= -0.028465 Density= 0.212242 ETOT(band)= -0.234307 trlgG= -0.293711 logG= -0.028465 TDE= -0.170951 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004445 tlogG= -0.023762 logG= -0.028207 Density= 0.213149 ETOT(band)= -0.233525 trlgG= -0.291794 logG= -0.028207 TDE= -0.170753 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004501 tlogG= -0.023608 logG= -0.028109 Density= 0.212685 ETOT(band)= -0.233929 trlgG= -0.292766 logG= -0.028109 TDE= -0.170668 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022928 logG= -0.027908 Density= 0.214844 ETOT(band)= -0.232351 trlgG= -0.289734 logG= -0.027908 TDE= -0.170407 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001586 tlogG= -0.006883 logG= -0.008469 Density= 0.040852 ETOT(band)= -0.042667 trlgG= -0.052810 logG= -0.008469 TDE= -0.056456 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001437 tlogG= -0.007973 logG= -0.009410 Density= 0.070889 ETOT(band)= -0.077928 trlgG= -0.097462 logG= -0.009410 TDE= -0.056953 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005314 logG= -0.006522 Density= 0.081567 ETOT(band)= -0.085674 trlgG= -0.106235 logG= -0.006522 TDE= -0.042456 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004615 tlogG= -0.023912 logG= -0.028527 logGD-logG0= -0.001190 tlogG= -0.005178 logG= -0.006368 Density= 0.062555 ETOT(band)= -0.067529 trlgG= -0.084220 logG= -0.006368 TDE= -0.042354 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213341 ETOT(band)= -0.233802 trlgG= -0.292526 logG= -0.028527 TDE= -0.170757 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.021377 logG= -0.026379 Density= 0.217049 ETOT(band)= -0.229143 trlgG= -0.284343 logG= -0.026379 TDE= -0.169873 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.021232 logG= -0.026193 Density= 0.216380 ETOT(band)= -0.230000 trlgG= -0.285595 logG= -0.026193 TDE= -0.169779 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001577 tlogG= -0.007595 logG= -0.009172 Density= 0.071514 ETOT(band)= -0.077331 trlgG= -0.096169 logG= -0.009172 TDE= -0.056729 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007126 logG= -0.008823 Density= 0.072240 ETOT(band)= -0.076467 trlgG= -0.094861 logG= -0.008823 TDE= -0.056616 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.022316 logG= -0.027276 Density= 0.214313 ETOT(band)= -0.232388 trlgG= -0.289483 logG= -0.027276 TDE= -0.170142 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001281 tlogG= -0.005945 logG= -0.007226 Density= 0.080846 ETOT(band)= -0.087631 trlgG= -0.110382 logG= -0.007226 TDE= -0.042860 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.021906 logG= -0.026997 Density= 0.216659 ETOT(band)= -0.230248 trlgG= -0.286544 logG= -0.026997 TDE= -0.170205 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005754 logG= -0.007015 Density= 0.080653 ETOT(band)= -0.087379 trlgG= -0.109628 logG= -0.007015 TDE= -0.042741 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005862 logG= -0.007138 Density= 0.080664 ETOT(band)= -0.087595 trlgG= -0.110183 logG= -0.007138 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005626 logG= -0.006866 Density= 0.080853 ETOT(band)= -0.086951 trlgG= -0.108626 logG= -0.006866 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022495 logG= -0.027426 Density= 0.215068 ETOT(band)= -0.231616 trlgG= -0.288092 logG= -0.027426 TDE= -0.170156 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024026 logG= -0.029263 Density= 0.215723 ETOT(band)= -0.233814 trlgG= -0.294875 logG= -0.029263 TDE= -0.171554 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005990 logG= -0.007269 Density= 0.081073 ETOT(band)= -0.087536 trlgG= -0.110437 logG= -0.007269 TDE= -0.042890 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023824 logG= -0.029095 Density= 0.215374 ETOT(band)= -0.233718 trlgG= -0.294219 logG= -0.029095 TDE= -0.171401 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.024025 logG= -0.029225 Density= 0.216385 ETOT(band)= -0.233301 trlgG= -0.294405 logG= -0.029225 TDE= -0.171571 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023508 logG= -0.028771 Density= 0.215257 ETOT(band)= -0.233281 trlgG= -0.292954 logG= -0.028771 TDE= -0.171144 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.023870 logG= -0.028956 Density= 0.215535 ETOT(band)= -0.233715 trlgG= -0.294323 logG= -0.028956 TDE= -0.171089 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024030 logG= -0.028813 Density= 0.321640 ETOT(band)= -0.351030 trlgG= -0.441401 logG= -0.028813 TDE= -0.171201 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.022465 logG= -0.027594 Density= 0.216405 ETOT(band)= -0.231245 trlgG= -0.288658 logG= -0.027594 TDE= -0.170544 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.024109 logG= -0.029369 logGD-logG0= -0.005330 tlogG= -0.024147 logG= -0.029476 Density= 0.215755 ETOT(band)= -0.233970 trlgG= -0.295290 logG= -0.029476 TDE= -0.171586 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323122 ETOT(band)= -0.351126 trlgG= -0.442739 logG= -0.029369 TDE= -0.171399 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023440 logG= -0.028660 Density= 0.216232 ETOT(band)= -0.232618 trlgG= -0.292259 logG= -0.028660 TDE= -0.171165 logGD-logG0= -0.004695 tlogG= -0.023391 logG= -0.028086 Density= 0.321711 ETOT(band)= -0.349981 trlgG= -0.438823 logG= -0.028086 TDE= -0.170876 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010430 tlogG= -0.047837 logG= -0.058267 Density= 0.324398 ETOT(band)= -0.349856 trlgG= -0.441104 logG= -0.058267 TDE= -0.342983 logGD-logG0= -0.005030 tlogG= -0.024181 logG= -0.029210 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.023269 logG= -0.028310 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214786 ETOT(band)= -0.234118 trlgG= -0.294572 logG= -0.029210 TDE= -0.171212 Density= 0.321776 ETOT(band)= -0.350490 trlgG= -0.439677 logG= -0.028310 TDE= -0.170831 logGD-logG0= -0.005194 tlogG= -0.023982 logG= -0.029175 Density= 0.216419 ETOT(band)= -0.233198 trlgG= -0.294173 logG= -0.029175 TDE= -0.171545 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.048091 logG= -0.058803 Density= 0.323305 ETOT(band)= -0.350919 trlgG= -0.442438 logG= -0.058803 TDE= -0.342974 logGD-logG0= -0.004928 tlogG= -0.023906 logG= -0.028834 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.047286 logG= -0.057762 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009706 tlogG= -0.046653 logG= -0.056359 logGD-logG0= -0.005089 tlogG= -0.023981 logG= -0.029070 Density= 0.214389 ETOT(band)= -0.234044 trlgG= -0.293954 logG= -0.029070 TDE= -0.171038 Density= 0.213842 ETOT(band)= -0.233954 trlgG= -0.293041 logG= -0.028834 TDE= -0.170767 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322772 ETOT(band)= -0.348943 trlgG= -0.436471 logG= -0.056359 TDE= -0.341562 Density= 0.324183 ETOT(band)= -0.349487 trlgG= -0.439754 logG= -0.057762 TDE= -0.342591 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.024186 logG= -0.029242 Density= 0.322506 ETOT(band)= -0.351150 trlgG= -0.442085 logG= -0.029242 TDE= -0.171207 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023995 logG= -0.028584 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212872 ETOT(band)= -0.234209 trlgG= -0.293517 logG= -0.028584 TDE= -0.170806 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.045680 logG= -0.055879 Density= 0.324100 ETOT(band)= -0.347883 trlgG= -0.435046 logG= -0.055879 TDE= -0.341411 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.022994 logG= -0.028184 Density= 0.216260 ETOT(band)= -0.232043 trlgG= -0.290642 logG= -0.028184 TDE= -0.170878 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023923 logG= -0.029301 logGD-logG0= -0.004794 tlogG= -0.023268 logG= -0.028062 Density= 0.215683 ETOT(band)= -0.233717 trlgG= -0.294603 logG= -0.029301 TDE= -0.171409 Density= 0.213557 ETOT(band)= -0.233556 trlgG= -0.292258 logG= -0.028062 TDE= -0.170719 logGD-logG0= -0.010472 tlogG= -0.046466 logG= -0.056937 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324051 ETOT(band)= -0.348828 trlgG= -0.437666 logG= -0.056937 TDE= -0.342034 logGD-logG0= -0.004751 tlogG= -0.024030 logG= -0.028781 Density= 0.214172 ETOT(band)= -0.234032 trlgG= -0.294169 logG= -0.028781 TDE= -0.171205 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005426 tlogG= -0.023709 logG= -0.029134 logGD-logG0= -0.005363 tlogG= -0.023982 logG= -0.029345 Density= 0.215447 ETOT(band)= -0.233568 trlgG= -0.293904 logG= -0.029134 TDE= -0.171232 Density= 0.323715 ETOT(band)= -0.350596 trlgG= -0.442187 logG= -0.029345 TDE= -0.171458 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005446 tlogG= -0.023380 logG= -0.028826 Density= 0.215150 ETOT(band)= -0.233308 trlgG= -0.292761 logG= -0.028826 TDE= -0.170938 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023394 logG= -0.028058 Density= 0.214236 ETOT(band)= -0.233319 trlgG= -0.292375 logG= -0.028058 TDE= -0.170884 logGD-logG0= -0.008981 tlogG= -0.048140 logG= -0.057121 Density= 0.425662 ETOT(band)= -0.468216 trlgG= -0.586519 logG= -0.057121 TDE= -0.341726 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009663 tlogG= -0.047887 logG= -0.057549 logGD-logG0= -0.005181 tlogG= -0.023219 logG= -0.028400 Density= 0.214914 ETOT(band)= -0.232906 trlgG= -0.291265 logG= -0.028400 TDE= -0.170594 Density= 0.428142 ETOT(band)= -0.468047 trlgG= -0.587922 logG= -0.057549 TDE= -0.342216 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.046758 logG= -0.056230 Density= 0.428001 ETOT(band)= -0.466020 trlgG= -0.581920 logG= -0.056230 TDE= -0.341169 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010166 tlogG= -0.048197 logG= -0.058363 Density= 0.429393 ETOT(band)= -0.468169 trlgG= -0.588703 logG= -0.058363 TDE= -0.342263 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.023787 logG= -0.029000 Density= 0.216310 ETOT(band)= -0.232998 trlgG= -0.293467 logG= -0.029000 TDE= -0.171404 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.048005 logG= -0.058340 logGD-logG0= -0.010299 tlogG= -0.048271 logG= -0.058570 Density= 0.430123 ETOT(band)= -0.468178 trlgG= -0.589475 logG= -0.058570 TDE= -0.342477 logGD-logG0= -0.010509 tlogG= -0.048121 logG= -0.058630 Density= 0.430228 ETOT(band)= -0.468008 trlgG= -0.589147 logG= -0.058630 TDE= -0.342603 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.046655 logG= -0.056180 Density= 0.429297 ETOT(band)= -0.468130 trlgG= -0.588347 logG= -0.058340 TDE= -0.342102 logGD-logG0= -0.010276 tlogG= -0.047716 logG= -0.057992 Density= 0.428392 ETOT(band)= -0.468034 trlgG= -0.587257 logG= -0.057992 TDE= -0.341857 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428203 ETOT(band)= -0.466743 trlgG= -0.584528 logG= -0.056180 TDE= -0.341586 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.021328 logG= -0.026247 Density= 0.162670 ETOT(band)= -0.172959 trlgG= -0.215962 logG= -0.026247 TDE= -0.169860 logGD-logG0= -0.009625 tlogG= -0.047816 logG= -0.057441 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427288 ETOT(band)= -0.467805 trlgG= -0.585902 logG= -0.057441 TDE= -0.341448 logGD-logG0= -0.010782 tlogG= -0.047742 logG= -0.058524 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431167 ETOT(band)= -0.467383 trlgG= -0.588803 logG= -0.058524 TDE= -0.342727 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.046448 logG= -0.056402 Density= 0.429626 ETOT(band)= -0.465460 trlgG= -0.581606 logG= -0.056402 TDE= -0.341282 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009838 tlogG= -0.047902 logG= -0.057740 Density= 0.429230 ETOT(band)= -0.467831 trlgG= -0.587904 logG= -0.057740 TDE= -0.342204 logGD-logG0= -0.010677 tlogG= -0.047780 logG= -0.058457 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430830 ETOT(band)= -0.467436 trlgG= -0.588440 logG= -0.058457 TDE= -0.342620 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010706 tlogG= -0.048068 logG= -0.058773 logGD-logG0= -0.010338 tlogG= -0.046980 logG= -0.057318 Density= 0.431406 ETOT(band)= -0.467666 trlgG= -0.589796 logG= -0.058773 TDE= -0.342992 Density= 0.429969 ETOT(band)= -0.466379 trlgG= -0.584309 logG= -0.057318 TDE= -0.341572 logGD-logG0= -0.010019 tlogG= -0.047607 logG= -0.057626 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428708 ETOT(band)= -0.467379 trlgG= -0.586298 logG= -0.057626 TDE= -0.341902 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.047619 logG= -0.057882 Density= 0.430096 ETOT(band)= -0.467027 trlgG= -0.586239 logG= -0.057882 TDE= -0.342016 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023860 logG= -0.028705 Density= 0.213630 ETOT(band)= -0.234091 trlgG= -0.293776 logG= -0.028705 TDE= -0.171023 logGD-logG0= -0.010737 tlogG= -0.047318 logG= -0.058055 Density= 0.430563 ETOT(band)= -0.467011 trlgG= -0.586967 logG= -0.058055 TDE= -0.342236 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022351 logG= -0.027199 Density= 0.322939 ETOT(band)= -0.347912 trlgG= -0.434082 logG= -0.027199 TDE= -0.170224 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005475 logG= -0.006702 Density= 0.081212 ETOT(band)= -0.086340 trlgG= -0.107392 logG= -0.006702 TDE= -0.042567 logGD-logG0= -0.009991 tlogG= -0.044671 logG= -0.054663 Density= 0.324342 ETOT(band)= -0.346614 trlgG= -0.432038 logG= -0.054663 TDE= -0.340734 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009671 tlogG= -0.047697 logG= -0.057368 Density= 0.426789 ETOT(band)= -0.468251 trlgG= -0.587046 logG= -0.057368 TDE= -0.341746 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.022351 logG= -0.027158 Density= 0.215074 ETOT(band)= -0.231905 trlgG= -0.289134 logG= -0.027158 TDE= -0.170229 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044673 logG= -0.054514 Density= 0.431686 ETOT(band)= -0.461997 trlgG= -0.574842 logG= -0.054514 TDE= -0.340367 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.753546881775 eV TrLogG= -407.363811722454 eV Ratio to renormalize= 0.999822109146 rho-rho_expected= 0.003914295101 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964546728231024 0.940198380333345 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000854 logG= -0.001050 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005853 logG= -0.001050 TDE= -0.007052 logGD-logG0= -0.002333 tlogG= -0.011894 logG= -0.014228 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053574 ETOT(band)= -0.058385 trlgG= -0.073270 logG= -0.014228 TDE= -0.085553 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.012043 logG= -0.014654 Density= 0.053773 ETOT(band)= -0.058520 trlgG= -0.073691 logG= -0.014654 TDE= -0.085646 logGD-logG0= -0.002341 tlogG= -0.011459 logG= -0.013800 Density= 0.053748 ETOT(band)= -0.058055 trlgG= -0.072506 logG= -0.013800 TDE= -0.085304 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001492 tlogG= -0.007818 logG= -0.009309 Density= 0.035503 ETOT(band)= -0.038913 trlgG= -0.048609 logG= -0.009309 TDE= -0.056868 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002429 tlogG= -0.012093 logG= -0.014521 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053596 ETOT(band)= -0.058529 trlgG= -0.073632 logG= -0.014521 TDE= -0.085633 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008051 logG= -0.009461 Density= 0.035325 ETOT(band)= -0.039063 trlgG= -0.048972 logG= -0.009461 TDE= -0.056991 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011996 logG= -0.014563 Density= 0.054144 ETOT(band)= -0.058284 trlgG= -0.073557 logG= -0.014563 TDE= -0.085787 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.022481 logG= -0.027532 Density= 0.108220 ETOT(band)= -0.115711 trlgG= -0.144581 logG= -0.027532 TDE= -0.170601 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023454 logG= -0.028616 Density= 0.108146 ETOT(band)= -0.116355 trlgG= -0.146303 logG= -0.028616 TDE= -0.171203 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.024094 logG= -0.029390 Density= 0.107662 ETOT(band)= -0.117041 trlgG= -0.147528 logG= -0.029390 TDE= -0.171415 logGD-logG0= -0.005120 tlogG= -0.023006 logG= -0.028126 logGD-logG0= -0.004365 tlogG= -0.023994 logG= -0.028359 Density= 0.106203 ETOT(band)= -0.117083 trlgG= -0.146677 logG= -0.028359 TDE= -0.170872 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108151 ETOT(band)= -0.116084 trlgG= -0.145528 logG= -0.028126 TDE= -0.170920 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.024066 logG= -0.028627 logGD-logG0= -0.005168 tlogG= -0.023787 logG= -0.028955 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.022194 logG= -0.027162 Density= 0.106420 ETOT(band)= -0.117117 trlgG= -0.146801 logG= -0.028627 TDE= -0.170836 Density= 0.108192 ETOT(band)= -0.116518 trlgG= -0.146839 logG= -0.028955 TDE= -0.171424 Density= 0.108374 ETOT(band)= -0.115406 trlgG= -0.143974 logG= -0.027162 TDE= -0.170440 logGD-logG0= -0.005155 tlogG= -0.023973 logG= -0.029128 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108242 ETOT(band)= -0.116593 trlgG= -0.147118 logG= -0.029128 TDE= -0.171554 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.024115 logG= -0.029125 logGD-logG0= -0.004338 tlogG= -0.024071 logG= -0.028409 logGD-logG0= -0.002636 tlogG= -0.011999 logG= -0.014636 Density= 0.053991 ETOT(band)= -0.058404 trlgG= -0.073677 logG= -0.014636 TDE= -0.085758 logGD-logG0= -0.005328 tlogG= -0.023925 logG= -0.029253 Density= 0.107402 ETOT(band)= -0.117004 trlgG= -0.147149 logG= -0.029125 TDE= -0.171171 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107770 ETOT(band)= -0.116908 trlgG= -0.147313 logG= -0.029253 TDE= -0.171390 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.024156 logG= -0.029494 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.024110 logG= -0.029415 Density= 0.107905 ETOT(band)= -0.116950 trlgG= -0.147593 logG= -0.029415 TDE= -0.171575 Density= 0.107829 ETOT(band)= -0.117037 trlgG= -0.147718 logG= -0.029494 TDE= -0.171583 Density= 0.106152 ETOT(band)= -0.117126 trlgG= -0.146790 logG= -0.028409 TDE= -0.170910 logGD-logG0= -0.004880 tlogG= -0.022872 logG= -0.027752 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023706 logG= -0.029009 logGD-logG0= -0.005014 tlogG= -0.023665 logG= -0.028679 Density= 0.107004 ETOT(band)= -0.116899 trlgG= -0.146304 logG= -0.028679 TDE= -0.170576 logGD-logG0= -0.004847 tlogG= -0.023710 logG= -0.028557 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023989 logG= -0.029236 Density= 0.107768 ETOT(band)= -0.116065 trlgG= -0.144941 logG= -0.027752 TDE= -0.170517 logGD-logG0= -0.005113 tlogG= -0.023239 logG= -0.028352 Density= 0.108210 ETOT(band)= -0.116178 trlgG= -0.145884 logG= -0.028352 TDE= -0.171079 Density= 0.107465 ETOT(band)= -0.117026 trlgG= -0.147253 logG= -0.029236 TDE= -0.171197 logGD-logG0= -0.005144 tlogG= -0.023629 logG= -0.028773 Density= 0.107255 ETOT(band)= -0.116972 trlgG= -0.146856 logG= -0.029009 TDE= -0.170922 Density= 0.107401 ETOT(band)= -0.116693 trlgG= -0.146407 logG= -0.028557 TDE= -0.170997 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023895 logG= -0.029037 Density= 0.108263 ETOT(band)= -0.116529 trlgG= -0.146969 logG= -0.029037 TDE= -0.171506 Density= 0.108218 ETOT(band)= -0.116402 trlgG= -0.146548 logG= -0.028773 TDE= -0.171327 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.022431 logG= -0.027459 Density= 0.107656 ETOT(band)= -0.115935 trlgG= -0.144457 logG= -0.027459 TDE= -0.170271 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.023708 logG= -0.028433 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.022758 logG= -0.027805 Density= 0.107002 ETOT(band)= -0.116809 trlgG= -0.146494 logG= -0.028433 TDE= -0.171011 logGD-logG0= -0.005127 tlogG= -0.022898 logG= -0.028025 Density= 0.107637 ETOT(band)= -0.116269 trlgG= -0.145352 logG= -0.028025 TDE= -0.170592 logGD-logG0= -0.004696 tlogG= -0.023689 logG= -0.028385 Density= 0.106628 ETOT(band)= -0.116924 trlgG= -0.146387 logG= -0.028385 TDE= -0.170766 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004727 tlogG= -0.023009 logG= -0.027736 Density= 0.106900 ETOT(band)= -0.116457 trlgG= -0.145213 logG= -0.027736 TDE= -0.170376 logGD-logG0= -0.004919 tlogG= -0.023915 logG= -0.028834 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108264 ETOT(band)= -0.115848 trlgG= -0.145017 logG= -0.027805 TDE= -0.170787 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.024091 logG= -0.028988 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106785 ETOT(band)= -0.117080 trlgG= -0.146915 logG= -0.028834 TDE= -0.170924 Density= 0.107081 ETOT(band)= -0.117063 trlgG= -0.147172 logG= -0.028988 TDE= -0.171173 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004751 tlogG= -0.023521 logG= -0.028272 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106801 ETOT(band)= -0.116779 trlgG= -0.145959 logG= -0.028272 TDE= -0.170538 logGD-logG0= -0.004757 tlogG= -0.022874 logG= -0.027631 Density= 0.107321 ETOT(band)= -0.116206 trlgG= -0.145064 logG= -0.027631 TDE= -0.170541 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005281 tlogG= -0.024081 logG= -0.029362 Density= 0.107963 ETOT(band)= -0.116883 trlgG= -0.147505 logG= -0.029362 TDE= -0.171569 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023220 logG= -0.028538 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107703 ETOT(band)= -0.116518 trlgG= -0.146163 logG= -0.028538 TDE= -0.170922 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023893 logG= -0.029185 Density= 0.107932 ETOT(band)= -0.116777 trlgG= -0.147209 logG= -0.029185 TDE= -0.171435 logGD-logG0= -0.009505 tlogG= -0.045805 logG= -0.055309 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009817 tlogG= -0.048288 logG= -0.058105 Density= 0.214450 ETOT(band)= -0.234087 trlgG= -0.294421 logG= -0.058105 TDE= -0.342436 Density= 0.215063 ETOT(band)= -0.232249 trlgG= -0.290032 logG= -0.055309 TDE= -0.341147 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005329 tlogG= -0.023603 logG= -0.028931 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107818 ETOT(band)= -0.116680 trlgG= -0.146793 logG= -0.028931 TDE= -0.171215 logGD-logG0= -0.009683 tlogG= -0.047203 logG= -0.056886 Density= 0.213822 ETOT(band)= -0.233676 trlgG= -0.292840 logG= -0.056886 TDE= -0.341764 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002410 tlogG= -0.010438 logG= -0.012849 logGD-logG0= -0.009784 tlogG= -0.045634 logG= -0.055418 Density= 0.214414 ETOT(band)= -0.232595 trlgG= -0.290206 logG= -0.055418 TDE= -0.340891 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054384 ETOT(band)= -0.057062 trlgG= -0.070706 logG= -0.012849 TDE= -0.084770 logGD-logG0= -0.009844 tlogG= -0.047198 logG= -0.057042 Density= 0.213832 ETOT(band)= -0.233721 trlgG= -0.292633 logG= -0.057042 TDE= -0.341406 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004640 tlogG= -0.023225 logG= -0.027865 Density= 0.106765 ETOT(band)= -0.116587 trlgG= -0.145474 logG= -0.027865 TDE= -0.170441 logGD-logG0= -0.009963 tlogG= -0.047944 logG= -0.057907 logGD-logG0= -0.009456 tlogG= -0.047491 logG= -0.056947 Density= 0.214362 ETOT(band)= -0.233509 trlgG= -0.292974 logG= -0.056947 TDE= -0.342104 Density= 0.214021 ETOT(band)= -0.234122 trlgG= -0.294106 logG= -0.057907 TDE= -0.342107 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009570 tlogG= -0.047974 logG= -0.057544 Density= 0.213331 ETOT(band)= -0.234181 trlgG= -0.293552 logG= -0.057544 TDE= -0.341576 logGD-logG0= -0.010403 tlogG= -0.047832 logG= -0.058235 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010342 tlogG= -0.048026 logG= -0.058368 Density= 0.215116 ETOT(band)= -0.233924 trlgG= -0.294354 logG= -0.058368 TDE= -0.342436 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010539 tlogG= -0.047792 logG= -0.058331 Density= 0.214802 ETOT(band)= -0.234014 trlgG= -0.294258 logG= -0.058331 TDE= -0.342221 Density= 0.214702 ETOT(band)= -0.234007 trlgG= -0.294088 logG= -0.058235 TDE= -0.342098 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010494 tlogG= -0.048127 logG= -0.058621 Density= 0.215113 ETOT(band)= -0.234069 trlgG= -0.294771 logG= -0.058621 TDE= -0.342598 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.047705 logG= -0.057907 logGD-logG0= -0.010086 tlogG= -0.048074 logG= -0.058160 Density= 0.214579 ETOT(band)= -0.234035 trlgG= -0.294171 logG= -0.058160 TDE= -0.342196 logGD-logG0= -0.010575 tlogG= -0.048061 logG= -0.058636 Density= 0.215149 ETOT(band)= -0.234061 trlgG= -0.294798 logG= -0.058636 TDE= -0.342628 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214002 ETOT(band)= -0.234109 trlgG= -0.293858 logG= -0.057907 TDE= -0.341850 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007311 logG= -0.009007 Density= 0.035851 ETOT(band)= -0.038566 trlgG= -0.047914 logG= -0.009007 TDE= -0.056648 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010633 tlogG= -0.047575 logG= -0.058208 Density= 0.215737 ETOT(band)= -0.233521 trlgG= -0.294148 logG= -0.058208 TDE= -0.342698 logGD-logG0= -0.009888 tlogG= -0.045695 logG= -0.055583 logGD-logG0= -0.010200 tlogG= -0.046459 logG= -0.056659 Density= 0.215194 ETOT(band)= -0.232326 trlgG= -0.290025 logG= -0.055583 TDE= -0.340931 Density= 0.215258 ETOT(band)= -0.232889 trlgG= -0.291660 logG= -0.056659 TDE= -0.341521 logGD-logG0= -0.001629 tlogG= -0.007000 logG= -0.008629 Density= 0.036200 ETOT(band)= -0.038119 trlgG= -0.047256 logG= -0.008629 TDE= -0.056541 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009142 tlogG= -0.047672 logG= -0.056814 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212988 ETOT(band)= -0.233969 trlgG= -0.292905 logG= -0.056814 TDE= -0.341488 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010429 tlogG= -0.047354 logG= -0.057784 logGD-logG0= -0.010687 tlogG= -0.048193 logG= -0.058880 Density= 0.214311 ETOT(band)= -0.233905 trlgG= -0.293337 logG= -0.057784 TDE= -0.341605 Density= 0.215463 ETOT(band)= -0.234088 trlgG= -0.295237 logG= -0.058880 TDE= -0.342978 logGD-logG0= -0.010597 tlogG= -0.047469 logG= -0.058066 logGD-logG0= -0.010559 tlogG= -0.047987 logG= -0.058547 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215931 ETOT(band)= -0.233638 trlgG= -0.294712 logG= -0.058547 TDE= -0.343019 Density= 0.215507 ETOT(band)= -0.233559 trlgG= -0.293906 logG= -0.058066 TDE= -0.342483 logGD-logG0= -0.009811 tlogG= -0.047269 logG= -0.057080 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214526 ETOT(band)= -0.233472 trlgG= -0.292749 logG= -0.057080 TDE= -0.341827 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010613 tlogG= -0.047936 logG= -0.058549 logGD-logG0= -0.010112 tlogG= -0.047198 logG= -0.057311 Density= 0.215193 ETOT(band)= -0.233291 trlgG= -0.292677 logG= -0.057311 TDE= -0.341854 Density= 0.215804 ETOT(band)= -0.233710 trlgG= -0.294713 logG= -0.058549 TDE= -0.342954 logGD-logG0= -0.010639 tlogG= -0.046927 logG= -0.057566 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215469 ETOT(band)= -0.233282 trlgG= -0.293105 logG= -0.057566 TDE= -0.342164 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.021899 logG= -0.026904 Density= 0.108339 ETOT(band)= -0.115222 trlgG= -0.143526 logG= -0.026904 TDE= -0.170234 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004838 tlogG= -0.021014 logG= -0.025852 Density= 0.108722 ETOT(band)= -0.114270 trlgG= -0.141692 logG= -0.025852 TDE= -0.169641 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002472 tlogG= -0.010852 logG= -0.013324 Density= 0.054072 ETOT(band)= -0.057578 trlgG= -0.071551 logG= -0.013324 TDE= -0.084985 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.021840 logG= -0.026926 Density= 0.107809 ETOT(band)= -0.115508 trlgG= -0.143584 logG= -0.026926 TDE= -0.170007 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010048 tlogG= -0.043435 logG= -0.053482 logGD-logG0= -0.005027 tlogG= -0.021717 logG= -0.026743 Density= 0.107950 ETOT(band)= -0.115316 trlgG= -0.143275 logG= -0.026743 TDE= -0.169951 Density= 0.216312 ETOT(band)= -0.230424 trlgG= -0.286529 logG= -0.053482 TDE= -0.340088 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004918 tlogG= -0.021589 logG= -0.026507 Density= 0.108528 ETOT(band)= -0.114856 trlgG= -0.142847 logG= -0.026507 TDE= -0.170045 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001437 tlogG= -0.007972 logG= -0.009409 Density= 0.070889 ETOT(band)= -0.077927 trlgG= -0.097459 logG= -0.009409 TDE= -0.056952 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.005754 logG= -0.007015 Density= 0.080653 ETOT(band)= -0.087377 trlgG= -0.109625 logG= -0.007015 TDE= -0.042740 logGD-logG0= -0.001281 tlogG= -0.005945 logG= -0.007225 Density= 0.080846 ETOT(band)= -0.087629 trlgG= -0.110379 logG= -0.007225 TDE= -0.042860 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005177 logG= -0.006367 Density= 0.062555 ETOT(band)= -0.067528 trlgG= -0.084218 logG= -0.006367 TDE= -0.042354 logGD-logG0= -0.001586 tlogG= -0.006882 logG= -0.008468 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.040852 ETOT(band)= -0.042666 trlgG= -0.052809 logG= -0.008468 TDE= -0.056455 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001240 tlogG= -0.005625 logG= -0.006866 Density= 0.080853 ETOT(band)= -0.086949 trlgG= -0.108623 logG= -0.006866 TDE= -0.042664 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004615 tlogG= -0.023911 logG= -0.028525 Density= 0.213341 ETOT(band)= -0.233798 trlgG= -0.292518 logG= -0.028525 TDE= -0.170755 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005861 logG= -0.007137 Density= 0.080664 ETOT(band)= -0.087593 trlgG= -0.110180 logG= -0.007137 TDE= -0.042805 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004501 tlogG= -0.023606 logG= -0.028107 Density= 0.212685 ETOT(band)= -0.233924 trlgG= -0.292758 logG= -0.028107 TDE= -0.170666 logGD-logG0= -0.001577 tlogG= -0.007595 logG= -0.009172 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071514 ETOT(band)= -0.077329 trlgG= -0.096166 logG= -0.009172 TDE= -0.056728 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004312 tlogG= -0.024151 logG= -0.028463 Density= 0.212241 ETOT(band)= -0.234302 trlgG= -0.293703 logG= -0.028463 TDE= -0.170949 logGD-logG0= -0.001279 tlogG= -0.005989 logG= -0.007269 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081073 ETOT(band)= -0.087534 trlgG= -0.110434 logG= -0.007269 TDE= -0.042890 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.024145 logG= -0.029474 Density= 0.215755 ETOT(band)= -0.233965 trlgG= -0.295281 logG= -0.029474 TDE= -0.171583 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024024 logG= -0.029261 Density= 0.215723 ETOT(band)= -0.233809 trlgG= -0.294866 logG= -0.029261 TDE= -0.171551 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022926 logG= -0.027906 Density= 0.214844 ETOT(band)= -0.232346 trlgG= -0.289725 logG= -0.027906 TDE= -0.170405 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023822 logG= -0.029093 Density= 0.215374 ETOT(band)= -0.233713 trlgG= -0.294210 logG= -0.029093 TDE= -0.171399 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004445 tlogG= -0.023760 logG= -0.028205 Density= 0.213148 ETOT(band)= -0.233521 trlgG= -0.291786 logG= -0.028205 TDE= -0.170751 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023506 logG= -0.028769 Density= 0.215257 ETOT(band)= -0.233276 trlgG= -0.292945 logG= -0.028769 TDE= -0.171142 logGD-logG0= -0.005260 tlogG= -0.024107 logG= -0.029367 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323121 ETOT(band)= -0.351118 trlgG= -0.442725 logG= -0.029367 TDE= -0.171396 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.024022 logG= -0.029223 Density= 0.216385 ETOT(band)= -0.233296 trlgG= -0.294396 logG= -0.029223 TDE= -0.171569 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.023868 logG= -0.028954 Density= 0.215534 ETOT(band)= -0.233710 trlgG= -0.294314 logG= -0.028954 TDE= -0.171086 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024028 logG= -0.028811 Density= 0.321639 ETOT(band)= -0.351023 trlgG= -0.441387 logG= -0.028811 TDE= -0.171198 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023979 logG= -0.029068 logGD-logG0= -0.005129 tlogG= -0.022463 logG= -0.027592 Density= 0.216405 ETOT(band)= -0.231240 trlgG= -0.288649 logG= -0.027592 TDE= -0.170542 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023993 logG= -0.028582 Density= 0.212872 ETOT(band)= -0.234204 trlgG= -0.293509 logG= -0.028582 TDE= -0.170803 Density= 0.214389 ETOT(band)= -0.234039 trlgG= -0.293945 logG= -0.029068 TDE= -0.171036 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.048086 logG= -0.058799 logGD-logG0= -0.005030 tlogG= -0.024179 logG= -0.029208 Density= 0.214786 ETOT(band)= -0.234114 trlgG= -0.294563 logG= -0.029208 TDE= -0.171209 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023438 logG= -0.028658 Density= 0.323305 ETOT(band)= -0.350912 trlgG= -0.442424 logG= -0.058799 TDE= -0.342969 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.023904 logG= -0.028832 Density= 0.213842 ETOT(band)= -0.233949 trlgG= -0.293033 logG= -0.028832 TDE= -0.170765 logGD-logG0= -0.010199 tlogG= -0.045676 logG= -0.055875 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.047282 logG= -0.057758 Density= 0.324183 ETOT(band)= -0.349479 trlgG= -0.439740 logG= -0.057758 TDE= -0.342586 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324100 ETOT(band)= -0.347876 trlgG= -0.435033 logG= -0.055875 TDE= -0.341406 Density= 0.216231 ETOT(band)= -0.232613 trlgG= -0.292250 logG= -0.028658 TDE= -0.171162 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023980 logG= -0.029173 Density= 0.216419 ETOT(band)= -0.233193 trlgG= -0.294164 logG= -0.029173 TDE= -0.171542 logGD-logG0= -0.001697 tlogG= -0.007125 logG= -0.008822 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072240 ETOT(band)= -0.076465 trlgG= -0.094859 logG= -0.008822 TDE= -0.056615 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.024184 logG= -0.029240 Density= 0.322505 ETOT(band)= -0.351143 trlgG= -0.442072 logG= -0.029240 TDE= -0.171204 logGD-logG0= -0.001208 tlogG= -0.005313 logG= -0.006521 Density= 0.081567 ETOT(band)= -0.085673 trlgG= -0.106231 logG= -0.006521 TDE= -0.042455 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010430 tlogG= -0.047832 logG= -0.058263 Density= 0.324398 ETOT(band)= -0.349848 trlgG= -0.441090 logG= -0.058263 TDE= -0.342977 logGD-logG0= -0.005213 tlogG= -0.023785 logG= -0.028998 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216310 ETOT(band)= -0.232993 trlgG= -0.293458 logG= -0.028998 TDE= -0.171401 logGD-logG0= -0.005191 tlogG= -0.022992 logG= -0.028182 logGD-logG0= -0.004695 tlogG= -0.023389 logG= -0.028084 Density= 0.216260 ETOT(band)= -0.232038 trlgG= -0.290633 logG= -0.028182 TDE= -0.170875 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009706 tlogG= -0.046650 logG= -0.056355 Density= 0.321711 ETOT(band)= -0.349974 trlgG= -0.438810 logG= -0.028084 TDE= -0.170873 Density= 0.322772 ETOT(band)= -0.348935 trlgG= -0.436458 logG= -0.056355 TDE= -0.341557 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004751 tlogG= -0.024028 logG= -0.028779 logGD-logG0= -0.010472 tlogG= -0.046462 logG= -0.056933 Density= 0.214172 ETOT(band)= -0.234027 trlgG= -0.294160 logG= -0.028779 TDE= -0.171203 logGD-logG0= -0.005041 tlogG= -0.023267 logG= -0.028308 Density= 0.324050 ETOT(band)= -0.348820 trlgG= -0.437653 logG= -0.056933 TDE= -0.342029 Density= 0.321775 ETOT(band)= -0.350482 trlgG= -0.439663 logG= -0.028308 TDE= -0.170829 logGD-logG0= -0.004794 tlogG= -0.023266 logG= -0.028060 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213557 ETOT(band)= -0.233552 trlgG= -0.292250 logG= -0.028060 TDE= -0.170717 logGD-logG0= -0.004846 tlogG= -0.023858 logG= -0.028703 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213629 ETOT(band)= -0.234086 trlgG= -0.293767 logG= -0.028703 TDE= -0.171021 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023392 logG= -0.028056 Density= 0.214236 ETOT(band)= -0.233314 trlgG= -0.292367 logG= -0.028056 TDE= -0.170881 logGD-logG0= -0.005378 tlogG= -0.023921 logG= -0.029299 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215682 ETOT(band)= -0.233712 trlgG= -0.294594 logG= -0.029299 TDE= -0.171407 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023217 logG= -0.028398 Density= 0.214914 ETOT(band)= -0.232901 trlgG= -0.291256 logG= -0.028398 TDE= -0.170592 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005426 tlogG= -0.023707 logG= -0.029132 Density= 0.215447 ETOT(band)= -0.233563 trlgG= -0.293895 logG= -0.029132 TDE= -0.171229 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005446 tlogG= -0.023378 logG= -0.028824 Density= 0.215149 ETOT(band)= -0.233303 trlgG= -0.292752 logG= -0.028824 TDE= -0.170936 logGD-logG0= -0.004919 tlogG= -0.021326 logG= -0.026245 Density= 0.162670 ETOT(band)= -0.172955 trlgG= -0.215956 logG= -0.026245 TDE= -0.169857 logGD-logG0= -0.010335 tlogG= -0.048001 logG= -0.058336 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023980 logG= -0.029343 Density= 0.429297 ETOT(band)= -0.468120 trlgG= -0.588329 logG= -0.058336 TDE= -0.342097 Density= 0.323714 ETOT(band)= -0.350588 trlgG= -0.442173 logG= -0.029343 TDE= -0.171455 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.046754 logG= -0.056226 Density= 0.428001 ETOT(band)= -0.466011 trlgG= -0.581903 logG= -0.056226 TDE= -0.341164 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010509 tlogG= -0.048117 logG= -0.058626 Density= 0.430228 ETOT(band)= -0.467998 trlgG= -0.589129 logG= -0.058626 TDE= -0.342598 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009663 tlogG= -0.047883 logG= -0.057545 logGD-logG0= -0.004960 tlogG= -0.022314 logG= -0.027274 Density= 0.214312 ETOT(band)= -0.232384 trlgG= -0.289474 logG= -0.027274 TDE= -0.170140 logGD-logG0= -0.010166 tlogG= -0.048193 logG= -0.058359 Density= 0.429392 ETOT(band)= -0.468159 trlgG= -0.588685 logG= -0.058359 TDE= -0.342258 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428141 ETOT(band)= -0.468038 trlgG= -0.587905 logG= -0.057545 TDE= -0.342211 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.048267 logG= -0.058566 Density= 0.430122 ETOT(band)= -0.468168 trlgG= -0.589456 logG= -0.058566 TDE= -0.342472 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.046651 logG= -0.056176 Density= 0.428203 ETOT(band)= -0.466733 trlgG= -0.584511 logG= -0.056176 TDE= -0.341581 logGD-logG0= -0.010276 tlogG= -0.047712 logG= -0.057988 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428392 ETOT(band)= -0.468024 trlgG= -0.587239 logG= -0.057988 TDE= -0.341852 logGD-logG0= -0.009625 tlogG= -0.047812 logG= -0.057437 Density= 0.427288 ETOT(band)= -0.467795 trlgG= -0.585885 logG= -0.057437 TDE= -0.341443 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009838 tlogG= -0.047898 logG= -0.057736 Density= 0.429230 ETOT(band)= -0.467821 trlgG= -0.587887 logG= -0.057736 TDE= -0.342199 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010782 tlogG= -0.047738 logG= -0.058520 logGD-logG0= -0.004930 tlogG= -0.022493 logG= -0.027424 Density= 0.215068 ETOT(band)= -0.231612 trlgG= -0.288083 logG= -0.027424 TDE= -0.170153 Density= 0.431167 ETOT(band)= -0.467373 trlgG= -0.588784 logG= -0.058520 TDE= -0.342722 logGD-logG0= -0.010677 tlogG= -0.047776 logG= -0.058453 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430829 ETOT(band)= -0.467426 trlgG= -0.588421 logG= -0.058453 TDE= -0.342615 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009671 tlogG= -0.047693 logG= -0.057364 Density= 0.426788 ETOT(band)= -0.468242 trlgG= -0.587029 logG= -0.057364 TDE= -0.341741 logGD-logG0= -0.010338 tlogG= -0.046976 logG= -0.057314 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429968 ETOT(band)= -0.466369 trlgG= -0.584291 logG= -0.057314 TDE= -0.341566 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010019 tlogG= -0.047603 logG= -0.057622 Density= 0.428707 ETOT(band)= -0.467369 trlgG= -0.586281 logG= -0.057622 TDE= -0.341897 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.021375 logG= -0.026377 Density= 0.217048 ETOT(band)= -0.229138 trlgG= -0.284334 logG= -0.026377 TDE= -0.169870 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009954 tlogG= -0.046445 logG= -0.056399 Density= 0.429625 ETOT(band)= -0.465450 trlgG= -0.581589 logG= -0.056399 TDE= -0.341277 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010706 tlogG= -0.048063 logG= -0.058769 Density= 0.431406 ETOT(band)= -0.467656 trlgG= -0.589778 logG= -0.058769 TDE= -0.342987 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.047615 logG= -0.057878 Density= 0.430096 ETOT(band)= -0.467018 trlgG= -0.586221 logG= -0.057878 TDE= -0.342011 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022350 logG= -0.027197 Density= 0.322938 ETOT(band)= -0.347904 trlgG= -0.434069 logG= -0.027197 TDE= -0.170222 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.008981 tlogG= -0.048136 logG= -0.057117 logGD-logG0= -0.010737 tlogG= -0.047314 logG= -0.058051 Density= 0.430562 ETOT(band)= -0.467001 trlgG= -0.586948 logG= -0.058051 TDE= -0.342231 Density= 0.425662 ETOT(band)= -0.468206 trlgG= -0.586502 logG= -0.057117 TDE= -0.341722 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009991 tlogG= -0.044668 logG= -0.054659 Density= 0.324341 ETOT(band)= -0.346607 trlgG= -0.432025 logG= -0.054659 TDE= -0.340729 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.021230 logG= -0.026191 Density= 0.216380 ETOT(band)= -0.229995 trlgG= -0.285587 logG= -0.026191 TDE= -0.169777 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004807 tlogG= -0.022349 logG= -0.027156 Density= 0.215074 ETOT(band)= -0.231900 trlgG= -0.289126 logG= -0.027156 TDE= -0.170227 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005474 logG= -0.006702 Density= 0.081212 ETOT(band)= -0.086338 trlgG= -0.107388 logG= -0.006702 TDE= -0.042566 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.021904 logG= -0.026995 Density= 0.216659 ETOT(band)= -0.230243 trlgG= -0.286536 logG= -0.026995 TDE= -0.170202 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044669 logG= -0.054511 Density= 0.431685 ETOT(band)= -0.461988 trlgG= -0.574824 logG= -0.054511 TDE= -0.340363 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.746740220973 eV TrLogG= -407.351301126055 eV Ratio to renormalize= 0.999823428063 rho-rho_expected= 0.003885268654 nargs= 1 argi=dmft2.def 16) Finished k-point number 33 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964578273882335 0.940242701656307 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002340 tlogG= -0.011458 logG= -0.013799 Density= 0.053748 ETOT(band)= -0.058055 trlgG= -0.072506 logG= -0.013799 TDE= -0.085305 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.022193 logG= -0.027160 Density= 0.108376 ETOT(band)= -0.115406 trlgG= -0.143972 logG= -0.027160 TDE= -0.170441 logGD-logG0= -0.005014 tlogG= -0.023663 logG= -0.028677 Density= 0.107005 ETOT(band)= -0.116899 trlgG= -0.146303 logG= -0.028677 TDE= -0.170577 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.023913 logG= -0.028832 Density= 0.106786 ETOT(band)= -0.117080 trlgG= -0.146914 logG= -0.028832 TDE= -0.170925 logGD-logG0= -0.004724 tlogG= -0.023707 logG= -0.028431 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107003 ETOT(band)= -0.116809 trlgG= -0.146493 logG= -0.028431 TDE= -0.171013 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.023218 logG= -0.028535 Density= 0.107704 ETOT(band)= -0.116518 trlgG= -0.146161 logG= -0.028535 TDE= -0.170923 logGD-logG0= -0.004757 tlogG= -0.022873 logG= -0.027629 Density= 0.107322 ETOT(band)= -0.116206 trlgG= -0.145063 logG= -0.027629 TDE= -0.170542 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002471 tlogG= -0.010851 logG= -0.013322 Density= 0.054072 ETOT(band)= -0.057578 trlgG= -0.071550 logG= -0.013322 TDE= -0.084985 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002567 tlogG= -0.011995 logG= -0.014562 Density= 0.054145 ETOT(band)= -0.058284 trlgG= -0.073556 logG= -0.014562 TDE= -0.085788 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011894 logG= -0.014227 Density= 0.053575 ETOT(band)= -0.058385 trlgG= -0.073269 logG= -0.014227 TDE= -0.085554 logGD-logG0= -0.002636 tlogG= -0.011999 logG= -0.014635 Density= 0.053992 ETOT(band)= -0.058404 trlgG= -0.073676 logG= -0.014635 TDE= -0.085759 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012092 logG= -0.014520 logGD-logG0= -0.002611 tlogG= -0.012043 logG= -0.014653 Density= 0.053597 ETOT(band)= -0.058530 trlgG= -0.073631 logG= -0.014520 TDE= -0.085633 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053774 ETOT(band)= -0.058520 trlgG= -0.073690 logG= -0.014653 TDE= -0.085647 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007817 logG= -0.009309 Density= 0.035503 ETOT(band)= -0.038913 trlgG= -0.048608 logG= -0.009309 TDE= -0.056868 logGD-logG0= -0.005143 tlogG= -0.023627 logG= -0.028771 Density= 0.108220 ETOT(band)= -0.116402 trlgG= -0.146546 logG= -0.028771 TDE= -0.171328 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008051 logG= -0.009461 Density= 0.035325 ETOT(band)= -0.039063 trlgG= -0.048972 logG= -0.009461 TDE= -0.056992 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023601 logG= -0.028929 Density= 0.107820 ETOT(band)= -0.116680 trlgG= -0.146791 logG= -0.028929 TDE= -0.171217 logGD-logG0= -0.000196 tlogG= -0.000854 logG= -0.001050 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005853 logG= -0.001050 TDE= -0.007052 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023786 logG= -0.028953 Density= 0.108194 ETOT(band)= -0.116517 trlgG= -0.146837 logG= -0.028953 TDE= -0.171425 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.022480 logG= -0.027530 logGD-logG0= -0.009782 tlogG= -0.045632 logG= -0.055414 Density= 0.214416 ETOT(band)= -0.232596 trlgG= -0.290204 logG= -0.055414 TDE= -0.340893 logGD-logG0= -0.004639 tlogG= -0.023224 logG= -0.027863 Density= 0.106766 ETOT(band)= -0.116588 trlgG= -0.145473 logG= -0.027863 TDE= -0.170443 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023972 logG= -0.029126 logGD-logG0= -0.004364 tlogG= -0.023993 logG= -0.028357 Density= 0.106204 ETOT(band)= -0.117083 trlgG= -0.146676 logG= -0.028357 TDE= -0.170874 logGD-logG0= -0.004337 tlogG= -0.024070 logG= -0.028407 Density= 0.106152 ETOT(band)= -0.117127 trlgG= -0.146789 logG= -0.028407 TDE= -0.170912 Density= 0.108244 ETOT(band)= -0.116592 trlgG= -0.147116 logG= -0.029126 TDE= -0.171555 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108221 ETOT(band)= -0.115711 trlgG= -0.144579 logG= -0.027530 TDE= -0.170602 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.023005 logG= -0.028124 Density= 0.108153 ETOT(band)= -0.116084 trlgG= -0.145526 logG= -0.028124 TDE= -0.170921 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022871 logG= -0.027750 logGD-logG0= -0.005161 tlogG= -0.023453 logG= -0.028614 Density= 0.107769 ETOT(band)= -0.116065 trlgG= -0.144939 logG= -0.027750 TDE= -0.170519 Density= 0.108148 ETOT(band)= -0.116355 trlgG= -0.146301 logG= -0.028614 TDE= -0.171204 logGD-logG0= -0.005295 tlogG= -0.024093 logG= -0.029388 Density= 0.107664 ETOT(band)= -0.117041 trlgG= -0.147526 logG= -0.029388 TDE= -0.171416 logGD-logG0= -0.004560 tlogG= -0.024065 logG= -0.028625 logGD-logG0= -0.009569 tlogG= -0.047971 logG= -0.057540 Density= 0.106420 ETOT(band)= -0.117117 trlgG= -0.146801 logG= -0.028625 TDE= -0.170837 Density= 0.213333 ETOT(band)= -0.234182 trlgG= -0.293551 logG= -0.057540 TDE= -0.341579 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.022429 logG= -0.027457 Density= 0.107657 ETOT(band)= -0.115935 trlgG= -0.144455 logG= -0.027457 TDE= -0.170272 logGD-logG0= -0.004726 tlogG= -0.023008 logG= -0.027734 Density= 0.106901 ETOT(band)= -0.116457 trlgG= -0.145212 logG= -0.027734 TDE= -0.170378 logGD-logG0= -0.005305 tlogG= -0.024109 logG= -0.029413 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107907 ETOT(band)= -0.116950 trlgG= -0.147592 logG= -0.029413 TDE= -0.171576 logGD-logG0= -0.009887 tlogG= -0.045692 logG= -0.055579 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215196 ETOT(band)= -0.232326 trlgG= -0.290023 logG= -0.055579 TDE= -0.340934 logGD-logG0= -0.005303 tlogG= -0.023705 logG= -0.029007 logGD-logG0= -0.004751 tlogG= -0.023519 logG= -0.028270 Density= 0.106802 ETOT(band)= -0.116779 trlgG= -0.145958 logG= -0.028270 TDE= -0.170539 logGD-logG0= -0.005246 tlogG= -0.023988 logG= -0.029234 Density= 0.107256 ETOT(band)= -0.116972 trlgG= -0.146855 logG= -0.029007 TDE= -0.170923 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.023238 logG= -0.028350 Density= 0.107467 ETOT(band)= -0.117026 trlgG= -0.147252 logG= -0.029234 TDE= -0.171198 logGD-logG0= -0.005337 tlogG= -0.024155 logG= -0.029492 Density= 0.108211 ETOT(band)= -0.116178 trlgG= -0.145882 logG= -0.028350 TDE= -0.171080 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107831 ETOT(band)= -0.117037 trlgG= -0.147716 logG= -0.029492 TDE= -0.171584 logGD-logG0= -0.005009 tlogG= -0.024114 logG= -0.029123 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107403 ETOT(band)= -0.117004 trlgG= -0.147147 logG= -0.029123 TDE= -0.171172 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023924 logG= -0.029251 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023688 logG= -0.028384 Density= 0.107772 ETOT(band)= -0.116908 trlgG= -0.147312 logG= -0.029251 TDE= -0.171391 Density= 0.106628 ETOT(band)= -0.116924 trlgG= -0.146386 logG= -0.028384 TDE= -0.170768 logGD-logG0= -0.005141 tlogG= -0.023893 logG= -0.029035 logGD-logG0= -0.005046 tlogG= -0.022757 logG= -0.027803 Density= 0.108265 ETOT(band)= -0.116528 trlgG= -0.146968 logG= -0.029035 TDE= -0.171508 Density= 0.108266 ETOT(band)= -0.115848 trlgG= -0.145015 logG= -0.027803 TDE= -0.170788 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004897 tlogG= -0.024090 logG= -0.028986 Density= 0.107082 ETOT(band)= -0.117063 trlgG= -0.147171 logG= -0.028986 TDE= -0.171174 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023709 logG= -0.028555 Density= 0.107402 ETOT(band)= -0.116693 trlgG= -0.146405 logG= -0.028555 TDE= -0.170998 logGD-logG0= -0.005126 tlogG= -0.022897 logG= -0.028023 Density= 0.107638 ETOT(band)= -0.116269 trlgG= -0.145351 logG= -0.028023 TDE= -0.170593 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.024080 logG= -0.029360 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107965 ETOT(band)= -0.116883 trlgG= -0.147504 logG= -0.029360 TDE= -0.171571 logGD-logG0= -0.005291 tlogG= -0.023892 logG= -0.029183 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107934 ETOT(band)= -0.116777 trlgG= -0.147207 logG= -0.029183 TDE= -0.171436 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009503 tlogG= -0.045802 logG= -0.055305 Density= 0.215065 ETOT(band)= -0.232249 trlgG= -0.290030 logG= -0.055305 TDE= -0.341149 logGD-logG0= -0.005004 tlogG= -0.021898 logG= -0.026902 Density= 0.108340 ETOT(band)= -0.115221 trlgG= -0.143524 logG= -0.026902 TDE= -0.170234 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007311 logG= -0.009007 Density= 0.035851 ETOT(band)= -0.038566 trlgG= -0.047914 logG= -0.009007 TDE= -0.056648 logGD-logG0= -0.009816 tlogG= -0.048285 logG= -0.058101 Density= 0.214452 ETOT(band)= -0.234087 trlgG= -0.294418 logG= -0.058101 TDE= -0.342439 logGD-logG0= -0.009140 tlogG= -0.047670 logG= -0.056810 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212989 ETOT(band)= -0.233970 trlgG= -0.292904 logG= -0.056810 TDE= -0.341492 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006999 logG= -0.008628 Density= 0.036201 ETOT(band)= -0.038119 trlgG= -0.047255 logG= -0.008628 TDE= -0.056541 logGD-logG0= -0.009681 tlogG= -0.047201 logG= -0.056882 logGD-logG0= -0.009961 tlogG= -0.047942 logG= -0.057903 Density= 0.214023 ETOT(band)= -0.234123 trlgG= -0.294104 logG= -0.057903 TDE= -0.342110 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213824 ETOT(band)= -0.233676 trlgG= -0.292838 logG= -0.056882 TDE= -0.341767 logGD-logG0= -0.010538 tlogG= -0.047790 logG= -0.058327 Density= 0.214804 ETOT(band)= -0.234014 trlgG= -0.294255 logG= -0.058327 TDE= -0.342224 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009843 tlogG= -0.047195 logG= -0.057038 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213834 ETOT(band)= -0.233721 trlgG= -0.292631 logG= -0.057038 TDE= -0.341409 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010493 tlogG= -0.048124 logG= -0.058617 Density= 0.215116 ETOT(band)= -0.234069 trlgG= -0.294768 logG= -0.058617 TDE= -0.342601 logGD-logG0= -0.010341 tlogG= -0.048023 logG= -0.058364 logGD-logG0= -0.010574 tlogG= -0.048059 logG= -0.058632 logGD-logG0= -0.009454 tlogG= -0.047489 logG= -0.056943 Density= 0.215119 ETOT(band)= -0.233924 trlgG= -0.294351 logG= -0.058364 TDE= -0.342439 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010402 tlogG= -0.047830 logG= -0.058231 Density= 0.214705 ETOT(band)= -0.234007 trlgG= -0.294085 logG= -0.058231 TDE= -0.342100 Density= 0.214364 ETOT(band)= -0.233510 trlgG= -0.292972 logG= -0.056943 TDE= -0.342106 logGD-logG0= -0.002410 tlogG= -0.010438 logG= -0.012848 Density= 0.054384 ETOT(band)= -0.057062 trlgG= -0.070705 logG= -0.012848 TDE= -0.084770 Density= 0.215152 ETOT(band)= -0.234060 trlgG= -0.294795 logG= -0.058632 TDE= -0.342631 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047702 logG= -0.057903 Density= 0.214004 ETOT(band)= -0.234110 trlgG= -0.293856 logG= -0.057903 TDE= -0.341853 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010085 tlogG= -0.048071 logG= -0.058156 logGD-logG0= -0.010631 tlogG= -0.047573 logG= -0.058204 Density= 0.214581 ETOT(band)= -0.234035 trlgG= -0.294169 logG= -0.058156 TDE= -0.342198 Density= 0.215740 ETOT(band)= -0.233520 trlgG= -0.294145 logG= -0.058204 TDE= -0.342700 logGD-logG0= -0.010428 tlogG= -0.047352 logG= -0.057780 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010557 tlogG= -0.047985 logG= -0.058543 Density= 0.215934 ETOT(band)= -0.233638 trlgG= -0.294709 logG= -0.058543 TDE= -0.343021 Density= 0.214314 ETOT(band)= -0.233905 trlgG= -0.293335 logG= -0.057780 TDE= -0.341608 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010686 tlogG= -0.048190 logG= -0.058876 Density= 0.215466 ETOT(band)= -0.234088 trlgG= -0.295234 logG= -0.058876 TDE= -0.342981 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.046456 logG= -0.056655 Density= 0.215261 ETOT(band)= -0.232889 trlgG= -0.291657 logG= -0.056655 TDE= -0.341524 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047267 logG= -0.057076 Density= 0.214528 ETOT(band)= -0.233473 trlgG= -0.292747 logG= -0.057076 TDE= -0.341830 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010612 tlogG= -0.047934 logG= -0.058545 Density= 0.215807 ETOT(band)= -0.233709 trlgG= -0.294709 logG= -0.058545 TDE= -0.342956 logGD-logG0= -0.004918 tlogG= -0.021588 logG= -0.026505 logGD-logG0= -0.010596 tlogG= -0.047466 logG= -0.058062 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108529 ETOT(band)= -0.114856 trlgG= -0.142845 logG= -0.026505 TDE= -0.170046 Density= 0.215509 ETOT(band)= -0.233559 trlgG= -0.293903 logG= -0.058062 TDE= -0.342485 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010638 tlogG= -0.046924 logG= -0.057562 logGD-logG0= -0.010111 tlogG= -0.047196 logG= -0.057307 Density= 0.215472 ETOT(band)= -0.233282 trlgG= -0.293102 logG= -0.057562 TDE= -0.342166 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215196 ETOT(band)= -0.233290 trlgG= -0.292674 logG= -0.057307 TDE= -0.341857 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.021012 logG= -0.025849 Density= 0.108723 ETOT(band)= -0.114269 trlgG= -0.141690 logG= -0.025849 TDE= -0.169642 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005085 tlogG= -0.021839 logG= -0.026924 Density= 0.107810 ETOT(band)= -0.115508 trlgG= -0.143582 logG= -0.026924 TDE= -0.170008 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005026 tlogG= -0.021716 logG= -0.026741 Density= 0.107951 ETOT(band)= -0.115316 trlgG= -0.143273 logG= -0.026741 TDE= -0.169952 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010046 tlogG= -0.043432 logG= -0.053478 Density= 0.216314 ETOT(band)= -0.230423 trlgG= -0.286525 logG= -0.053478 TDE= -0.340090 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001240 tlogG= -0.005625 logG= -0.006865 Density= 0.080854 ETOT(band)= -0.086949 trlgG= -0.108622 logG= -0.006865 TDE= -0.042664 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004927 tlogG= -0.023903 logG= -0.028830 Density= 0.213844 ETOT(band)= -0.233950 trlgG= -0.293031 logG= -0.028830 TDE= -0.170767 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.022462 logG= -0.027590 Density= 0.216407 ETOT(band)= -0.231240 trlgG= -0.288645 logG= -0.027590 TDE= -0.170543 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023857 logG= -0.028701 Density= 0.213631 ETOT(band)= -0.234086 trlgG= -0.293766 logG= -0.028701 TDE= -0.171022 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.023391 logG= -0.028054 Density= 0.214238 ETOT(band)= -0.233314 trlgG= -0.292365 logG= -0.028054 TDE= -0.170882 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005445 tlogG= -0.023377 logG= -0.028822 Density= 0.215152 ETOT(band)= -0.233302 trlgG= -0.292749 logG= -0.028822 TDE= -0.170937 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005474 logG= -0.006701 Density= 0.081213 ETOT(band)= -0.086338 trlgG= -0.107387 logG= -0.006701 TDE= -0.042567 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004806 tlogG= -0.022348 logG= -0.027154 Density= 0.215076 ETOT(band)= -0.231900 trlgG= -0.289123 logG= -0.027154 TDE= -0.170228 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001279 tlogG= -0.005989 logG= -0.007268 Density= 0.081074 ETOT(band)= -0.087534 trlgG= -0.110432 logG= -0.007268 TDE= -0.042890 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001437 tlogG= -0.007972 logG= -0.009408 Density= 0.070889 ETOT(band)= -0.077927 trlgG= -0.097459 logG= -0.009408 TDE= -0.056953 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005945 logG= -0.007225 Density= 0.080847 ETOT(band)= -0.087629 trlgG= -0.110378 logG= -0.007225 TDE= -0.042860 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004445 tlogG= -0.023759 logG= -0.028203 Density= 0.213150 ETOT(band)= -0.233521 trlgG= -0.291785 logG= -0.028203 TDE= -0.170753 logGD-logG0= -0.004311 tlogG= -0.024150 logG= -0.028461 Density= 0.212243 ETOT(band)= -0.234303 trlgG= -0.293702 logG= -0.028461 TDE= -0.170950 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005861 logG= -0.007137 Density= 0.080665 ETOT(band)= -0.087593 trlgG= -0.110179 logG= -0.007137 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004500 tlogG= -0.023605 logG= -0.028105 Density= 0.212686 ETOT(band)= -0.233926 trlgG= -0.292757 logG= -0.028105 TDE= -0.170668 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023909 logG= -0.028523 Density= 0.213343 ETOT(band)= -0.233798 trlgG= -0.292517 logG= -0.028523 TDE= -0.170757 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005177 logG= -0.006367 Density= 0.062556 ETOT(band)= -0.067528 trlgG= -0.084217 logG= -0.006367 TDE= -0.042354 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005753 logG= -0.007014 Density= 0.080654 ETOT(band)= -0.087377 trlgG= -0.109624 logG= -0.007014 TDE= -0.042740 logGD-logG0= -0.004979 tlogG= -0.022925 logG= -0.027904 Density= 0.214846 ETOT(band)= -0.232346 trlgG= -0.289723 logG= -0.027904 TDE= -0.170406 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005425 tlogG= -0.023706 logG= -0.029130 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215450 ETOT(band)= -0.233562 trlgG= -0.293891 logG= -0.029130 TDE= -0.171230 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007594 logG= -0.009171 Density= 0.071514 ETOT(band)= -0.077329 trlgG= -0.096166 logG= -0.009171 TDE= -0.056728 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009471 tlogG= -0.046752 logG= -0.056223 Density= 0.428004 ETOT(band)= -0.466012 trlgG= -0.581899 logG= -0.056223 TDE= -0.341167 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.023784 logG= -0.028996 Density= 0.216313 ETOT(band)= -0.232993 trlgG= -0.293455 logG= -0.028996 TDE= -0.171402 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.021324 logG= -0.026243 Density= 0.162672 ETOT(band)= -0.172955 trlgG= -0.215953 logG= -0.026243 TDE= -0.169858 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005236 tlogG= -0.024023 logG= -0.029259 Density= 0.215726 ETOT(band)= -0.233809 trlgG= -0.294863 logG= -0.029259 TDE= -0.171552 logGD-logG0= -0.009670 tlogG= -0.047691 logG= -0.057361 Density= 0.426792 ETOT(band)= -0.468243 trlgG= -0.587025 logG= -0.057361 TDE= -0.341744 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009953 tlogG= -0.046442 logG= -0.056395 Density= 0.429629 ETOT(band)= -0.465451 trlgG= -0.581584 logG= -0.056395 TDE= -0.341280 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.024178 logG= -0.029206 Density= 0.214789 ETOT(band)= -0.234114 trlgG= -0.294560 logG= -0.029206 TDE= -0.171210 logGD-logG0= -0.005200 tlogG= -0.024021 logG= -0.029221 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216388 ETOT(band)= -0.233296 trlgG= -0.294392 logG= -0.029221 TDE= -0.171570 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023978 logG= -0.029171 Density= 0.216422 ETOT(band)= -0.233192 trlgG= -0.294160 logG= -0.029171 TDE= -0.171543 logGD-logG0= -0.005377 tlogG= -0.023920 logG= -0.029296 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215685 ETOT(band)= -0.233712 trlgG= -0.294591 logG= -0.029296 TDE= -0.171408 logGD-logG0= -0.005086 tlogG= -0.023866 logG= -0.028952 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215537 ETOT(band)= -0.233709 trlgG= -0.294311 logG= -0.028952 TDE= -0.171087 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023821 logG= -0.029091 Density= 0.215377 ETOT(band)= -0.233712 trlgG= -0.294206 logG= -0.029091 TDE= -0.171400 logGD-logG0= -0.009990 tlogG= -0.044665 logG= -0.054655 Density= 0.324345 ETOT(band)= -0.346606 trlgG= -0.432020 logG= -0.054655 TDE= -0.340731 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005313 logG= -0.006521 Density= 0.081568 ETOT(band)= -0.085672 trlgG= -0.106230 logG= -0.006521 TDE= -0.042455 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005329 tlogG= -0.024144 logG= -0.029472 logGD-logG0= -0.005262 tlogG= -0.023505 logG= -0.028767 Density= 0.215758 ETOT(band)= -0.233965 trlgG= -0.295277 logG= -0.029472 TDE= -0.171584 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215259 ETOT(band)= -0.233276 trlgG= -0.292942 logG= -0.028767 TDE= -0.171143 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008979 tlogG= -0.048134 logG= -0.057113 Density= 0.425665 ETOT(band)= -0.468208 trlgG= -0.586500 logG= -0.057113 TDE= -0.341725 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.024183 logG= -0.029238 Density= 0.322509 ETOT(band)= -0.351142 trlgG= -0.442068 logG= -0.029238 TDE= -0.171206 logGD-logG0= -0.004588 tlogG= -0.023992 logG= -0.028580 Density= 0.212873 ETOT(band)= -0.234205 trlgG= -0.293507 logG= -0.028580 TDE= -0.170805 logGD-logG0= -0.010429 tlogG= -0.047830 logG= -0.058259 Density= 0.324402 ETOT(band)= -0.349847 trlgG= -0.441085 logG= -0.058259 TDE= -0.342980 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024027 logG= -0.028809 logGD-logG0= -0.005088 tlogG= -0.023978 logG= -0.029066 logGD-logG0= -0.001697 tlogG= -0.007124 logG= -0.008821 Density= 0.072241 ETOT(band)= -0.076465 trlgG= -0.094857 logG= -0.008821 TDE= -0.056615 Density= 0.214391 ETOT(band)= -0.234039 trlgG= -0.293942 logG= -0.029066 TDE= -0.171037 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321643 ETOT(band)= -0.351023 trlgG= -0.441384 logG= -0.028809 TDE= -0.171200 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022313 logG= -0.027272 logGD-logG0= -0.005218 tlogG= -0.023437 logG= -0.028656 Density= 0.216234 ETOT(band)= -0.232612 trlgG= -0.292246 logG= -0.028656 TDE= -0.171163 logGD-logG0= -0.009704 tlogG= -0.046647 logG= -0.056351 Density= 0.214314 ETOT(band)= -0.232384 trlgG= -0.289472 logG= -0.027272 TDE= -0.170141 Density= 0.322775 ETOT(band)= -0.348935 trlgG= -0.436454 logG= -0.056351 TDE= -0.341559 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.045673 logG= -0.055871 logGD-logG0= -0.009624 tlogG= -0.047810 logG= -0.057434 Density= 0.427292 ETOT(band)= -0.467796 trlgG= -0.585881 logG= -0.057434 TDE= -0.341446 Density= 0.324104 ETOT(band)= -0.347875 trlgG= -0.435028 logG= -0.055871 TDE= -0.341408 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023266 logG= -0.028306 logGD-logG0= -0.010474 tlogG= -0.047279 logG= -0.057753 Density= 0.321779 ETOT(band)= -0.350483 trlgG= -0.439660 logG= -0.028306 TDE= -0.170830 Density= 0.324187 ETOT(band)= -0.349478 trlgG= -0.439735 logG= -0.057753 TDE= -0.342588 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.024106 logG= -0.029365 logGD-logG0= -0.004694 tlogG= -0.023388 logG= -0.028083 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323126 ETOT(band)= -0.351118 trlgG= -0.442721 logG= -0.029365 TDE= -0.171398 Density= 0.321714 ETOT(band)= -0.349974 trlgG= -0.438807 logG= -0.028083 TDE= -0.170875 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.022990 logG= -0.028180 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216263 ETOT(band)= -0.232037 trlgG= -0.290630 logG= -0.028180 TDE= -0.170876 logGD-logG0= -0.010470 tlogG= -0.046459 logG= -0.056929 logGD-logG0= -0.010711 tlogG= -0.048084 logG= -0.058795 Density= 0.324054 ETOT(band)= -0.348820 trlgG= -0.437647 logG= -0.056929 TDE= -0.342031 Density= 0.323309 ETOT(band)= -0.350911 trlgG= -0.442419 logG= -0.058795 TDE= -0.342971 logGD-logG0= -0.004750 tlogG= -0.024027 logG= -0.028777 Density= 0.214174 ETOT(band)= -0.234027 trlgG= -0.294158 logG= -0.028777 TDE= -0.171204 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023265 logG= -0.028058 Density= 0.213559 ETOT(band)= -0.233552 trlgG= -0.292248 logG= -0.028058 TDE= -0.170718 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022492 logG= -0.027422 Density= 0.215070 ETOT(band)= -0.231612 trlgG= -0.288081 logG= -0.027422 TDE= -0.170155 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023979 logG= -0.029341 Density= 0.323719 ETOT(band)= -0.350588 trlgG= -0.442168 logG= -0.029341 TDE= -0.171456 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009661 tlogG= -0.047881 logG= -0.057542 Density= 0.428146 ETOT(band)= -0.468038 trlgG= -0.587901 logG= -0.057542 TDE= -0.342214 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.048190 logG= -0.058355 Density= 0.429397 ETOT(band)= -0.468159 trlgG= -0.588680 logG= -0.058355 TDE= -0.342261 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.047999 logG= -0.058332 logGD-logG0= -0.010508 tlogG= -0.048114 logG= -0.058622 Density= 0.429302 ETOT(band)= -0.468120 trlgG= -0.588324 logG= -0.058332 TDE= -0.342100 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430233 ETOT(band)= -0.467998 trlgG= -0.589123 logG= -0.058622 TDE= -0.342600 logGD-logG0= -0.005180 tlogG= -0.023215 logG= -0.028396 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.047710 logG= -0.057985 logGD-logG0= -0.010298 tlogG= -0.048264 logG= -0.058562 Density= 0.428396 ETOT(band)= -0.468025 trlgG= -0.587235 logG= -0.057985 TDE= -0.341855 Density= 0.214916 ETOT(band)= -0.232901 trlgG= -0.291253 logG= -0.028396 TDE= -0.170593 Density= 0.430128 ETOT(band)= -0.468167 trlgG= -0.589451 logG= -0.058562 TDE= -0.342475 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010780 tlogG= -0.047736 logG= -0.058516 Density= 0.431173 ETOT(band)= -0.467372 trlgG= -0.588778 logG= -0.058516 TDE= -0.342724 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.046649 logG= -0.056172 Density= 0.428207 ETOT(band)= -0.466734 trlgG= -0.584507 logG= -0.056172 TDE= -0.341583 logGD-logG0= -0.009837 tlogG= -0.047895 logG= -0.057732 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429235 ETOT(band)= -0.467821 trlgG= -0.587882 logG= -0.057732 TDE= -0.342202 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.021902 logG= -0.026993 Density= 0.216662 ETOT(band)= -0.230243 trlgG= -0.286532 logG= -0.026993 TDE= -0.170203 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010017 tlogG= -0.047601 logG= -0.057618 Density= 0.428711 ETOT(band)= -0.467370 trlgG= -0.586276 logG= -0.057618 TDE= -0.341900 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010336 tlogG= -0.046973 logG= -0.057310 Density= 0.429973 ETOT(band)= -0.466369 trlgG= -0.584285 logG= -0.057310 TDE= -0.341569 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010676 tlogG= -0.047773 logG= -0.058449 Density= 0.430835 ETOT(band)= -0.467426 trlgG= -0.588415 logG= -0.058449 TDE= -0.342617 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.021374 logG= -0.026375 Density= 0.217051 ETOT(band)= -0.229137 trlgG= -0.284330 logG= -0.026375 TDE= -0.169871 logGD-logG0= -0.010704 tlogG= -0.048061 logG= -0.058765 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431412 ETOT(band)= -0.467655 trlgG= -0.589771 logG= -0.058765 TDE= -0.342989 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010261 tlogG= -0.047613 logG= -0.057874 Density= 0.430101 ETOT(band)= -0.467017 trlgG= -0.586215 logG= -0.057874 TDE= -0.342014 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.022348 logG= -0.027195 logGD-logG0= -0.010735 tlogG= -0.047312 logG= -0.058047 Density= 0.322941 ETOT(band)= -0.347904 trlgG= -0.434065 logG= -0.027195 TDE= -0.170223 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430568 ETOT(band)= -0.467000 trlgG= -0.586942 logG= -0.058047 TDE= -0.342233 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.021229 logG= -0.026189 logGD-logG0= -0.001585 tlogG= -0.006882 logG= -0.008467 Density= 0.040852 ETOT(band)= -0.042666 trlgG= -0.052808 logG= -0.008467 TDE= -0.056455 Density= 0.216382 ETOT(band)= -0.229995 trlgG= -0.285583 logG= -0.026189 TDE= -0.169778 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009840 tlogG= -0.044667 logG= -0.054506 Density= 0.431690 ETOT(band)= -0.461987 trlgG= -0.574818 logG= -0.054506 TDE= -0.340365 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.746720329312 eV TrLogG= -407.349245374339 eV Ratio to renormalize= 0.999812078881 rho-rho_expected= 0.004135041676 nargs= 1 argi=dmft2.def 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 54) Finished k-point number 110 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964568655774584 0.940220289199007 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011891 logG= -0.014225 Density= 0.053574 ETOT(band)= -0.058381 trlgG= -0.073263 logG= -0.014225 TDE= -0.085549 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004560 tlogG= -0.024061 logG= -0.028621 Density= 0.106419 ETOT(band)= -0.117109 trlgG= -0.146788 logG= -0.028621 TDE= -0.170828 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023233 logG= -0.028346 Density= 0.108209 ETOT(band)= -0.116170 trlgG= -0.145869 logG= -0.028346 TDE= -0.171070 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023700 logG= -0.029003 Density= 0.107254 ETOT(band)= -0.116964 trlgG= -0.146842 logG= -0.029003 TDE= -0.170913 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023684 logG= -0.028379 logGD-logG0= -0.004897 tlogG= -0.024085 logG= -0.028982 Density= 0.107081 ETOT(band)= -0.117055 trlgG= -0.147158 logG= -0.028982 TDE= -0.171165 Density= 0.106627 ETOT(band)= -0.116916 trlgG= -0.146373 logG= -0.028379 TDE= -0.170758 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023214 logG= -0.028531 Density= 0.107702 ETOT(band)= -0.116509 trlgG= -0.146148 logG= -0.028531 TDE= -0.170913 logGD-logG0= -0.004757 tlogG= -0.022868 logG= -0.027625 Density= 0.107321 ETOT(band)= -0.116198 trlgG= -0.145050 logG= -0.027625 TDE= -0.170532 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008049 logG= -0.009459 Density= 0.035325 ETOT(band)= -0.039060 trlgG= -0.048967 logG= -0.009459 TDE= -0.056989 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005853 logG= -0.001050 TDE= -0.007051 logGD-logG0= -0.002611 tlogG= -0.012040 logG= -0.014651 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004639 tlogG= -0.023220 logG= -0.027859 Density= 0.106764 ETOT(band)= -0.116579 trlgG= -0.145461 logG= -0.027859 TDE= -0.170434 Density= 0.053773 ETOT(band)= -0.058515 trlgG= -0.073683 logG= -0.014651 TDE= -0.085642 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011456 logG= -0.013796 Density= 0.053748 ETOT(band)= -0.058051 trlgG= -0.072499 logG= -0.013796 TDE= -0.085300 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004337 tlogG= -0.024066 logG= -0.028403 Density= 0.106151 ETOT(band)= -0.117118 trlgG= -0.146777 logG= -0.028403 TDE= -0.170902 logGD-logG0= -0.001491 tlogG= -0.007816 logG= -0.009307 logGD-logG0= -0.002428 tlogG= -0.012090 logG= -0.014518 logGD-logG0= -0.005028 tlogG= -0.022425 logG= -0.027453 Density= 0.107655 ETOT(band)= -0.115927 trlgG= -0.144442 logG= -0.027453 TDE= -0.170262 Density= 0.053596 ETOT(band)= -0.058525 trlgG= -0.073625 logG= -0.014518 TDE= -0.085629 Density= 0.035502 ETOT(band)= -0.038910 trlgG= -0.048604 logG= -0.009307 TDE= -0.056865 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.023515 logG= -0.028266 Density= 0.106801 ETOT(band)= -0.116771 trlgG= -0.145945 logG= -0.028266 TDE= -0.170530 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023447 logG= -0.028610 Density= 0.108146 ETOT(band)= -0.116346 trlgG= -0.146288 logG= -0.028610 TDE= -0.171194 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011992 logG= -0.014560 logGD-logG0= -0.005168 tlogG= -0.023780 logG= -0.028948 Density= 0.054144 ETOT(band)= -0.058280 trlgG= -0.073550 logG= -0.014560 TDE= -0.085783 Density= 0.108192 ETOT(band)= -0.116509 trlgG= -0.146824 logG= -0.028948 TDE= -0.171415 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023967 logG= -0.029122 Density= 0.108242 ETOT(band)= -0.116584 trlgG= -0.147103 logG= -0.029122 TDE= -0.171545 logGD-logG0= -0.005051 tlogG= -0.022475 logG= -0.027526 Density= 0.108219 ETOT(band)= -0.115703 trlgG= -0.144566 logG= -0.027526 TDE= -0.170592 logGD-logG0= -0.004364 tlogG= -0.023989 logG= -0.028353 Density= 0.106202 ETOT(band)= -0.117075 trlgG= -0.146664 logG= -0.028353 TDE= -0.170865 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.022866 logG= -0.027746 Density= 0.107767 ETOT(band)= -0.116056 trlgG= -0.144926 logG= -0.027746 TDE= -0.170509 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.024109 logG= -0.029119 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.022188 logG= -0.027156 Density= 0.107401 ETOT(band)= -0.116995 trlgG= -0.147134 logG= -0.029119 TDE= -0.171163 Density= 0.108374 ETOT(band)= -0.115397 trlgG= -0.143959 logG= -0.027156 TDE= -0.170431 logGD-logG0= -0.005306 tlogG= -0.024103 logG= -0.029409 logGD-logG0= -0.005120 tlogG= -0.023000 logG= -0.028120 Density= 0.107905 ETOT(band)= -0.116942 trlgG= -0.147578 logG= -0.029409 TDE= -0.171566 Density= 0.108151 ETOT(band)= -0.116076 trlgG= -0.145513 logG= -0.028120 TDE= -0.170911 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.024149 logG= -0.029488 Density= 0.107829 ETOT(band)= -0.117029 trlgG= -0.147703 logG= -0.029488 TDE= -0.171574 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023622 logG= -0.028767 logGD-logG0= -0.005142 tlogG= -0.023888 logG= -0.029031 Density= 0.108263 ETOT(band)= -0.116520 trlgG= -0.146954 logG= -0.029031 TDE= -0.171498 logGD-logG0= -0.005295 tlogG= -0.024088 logG= -0.029383 logGD-logG0= -0.005328 tlogG= -0.023919 logG= -0.029247 Density= 0.107662 ETOT(band)= -0.117032 trlgG= -0.147513 logG= -0.029383 TDE= -0.171406 logGD-logG0= -0.005014 tlogG= -0.023659 logG= -0.028673 Density= 0.107770 ETOT(band)= -0.116899 trlgG= -0.147298 logG= -0.029247 TDE= -0.171381 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023983 logG= -0.029229 Density= 0.107465 ETOT(band)= -0.117017 trlgG= -0.147238 logG= -0.029229 TDE= -0.171188 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.022751 logG= -0.027798 Density= 0.107003 ETOT(band)= -0.116891 trlgG= -0.146290 logG= -0.028673 TDE= -0.170567 Density= 0.108218 ETOT(band)= -0.116393 trlgG= -0.146533 logG= -0.028767 TDE= -0.171318 Density= 0.108264 ETOT(band)= -0.115840 trlgG= -0.145002 logG= -0.027798 TDE= -0.170778 logGD-logG0= -0.004846 tlogG= -0.023704 logG= -0.028551 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107401 ETOT(band)= -0.116685 trlgG= -0.146392 logG= -0.028551 TDE= -0.170989 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.022892 logG= -0.028019 logGD-logG0= -0.002637 tlogG= -0.011996 logG= -0.014633 logGD-logG0= -0.004725 tlogG= -0.023702 logG= -0.028427 Density= 0.107002 ETOT(band)= -0.116801 trlgG= -0.146480 logG= -0.028427 TDE= -0.171003 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.023004 logG= -0.027730 Density= 0.106899 ETOT(band)= -0.116449 trlgG= -0.145199 logG= -0.027730 TDE= -0.170368 Density= 0.107637 ETOT(band)= -0.116260 trlgG= -0.145338 logG= -0.028019 TDE= -0.170583 Density= 0.053991 ETOT(band)= -0.058400 trlgG= -0.073669 logG= -0.014633 TDE= -0.085754 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002410 tlogG= -0.010435 logG= -0.012845 logGD-logG0= -0.004919 tlogG= -0.023909 logG= -0.028828 Density= 0.106784 ETOT(band)= -0.117072 trlgG= -0.146901 logG= -0.028828 TDE= -0.170915 Density= 0.054384 ETOT(band)= -0.057058 trlgG= -0.070699 logG= -0.012845 TDE= -0.084765 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005292 tlogG= -0.023887 logG= -0.029179 Density= 0.107932 ETOT(band)= -0.116769 trlgG= -0.147194 logG= -0.029179 TDE= -0.171426 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009504 tlogG= -0.045793 logG= -0.055297 Density= 0.215062 ETOT(band)= -0.232232 trlgG= -0.290004 logG= -0.055297 TDE= -0.341130 logGD-logG0= -0.009140 tlogG= -0.047662 logG= -0.056802 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212986 ETOT(band)= -0.233953 trlgG= -0.292879 logG= -0.056802 TDE= -0.341473 logGD-logG0= -0.009817 tlogG= -0.048276 logG= -0.058093 logGD-logG0= -0.009682 tlogG= -0.047191 logG= -0.056874 Density= 0.213820 ETOT(band)= -0.233659 trlgG= -0.292812 logG= -0.056874 TDE= -0.341748 Density= 0.214449 ETOT(band)= -0.234070 trlgG= -0.294392 logG= -0.058093 TDE= -0.342420 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.045622 logG= -0.055406 logGD-logG0= -0.005281 tlogG= -0.024075 logG= -0.029355 Density= 0.107963 ETOT(band)= -0.116875 trlgG= -0.147490 logG= -0.029355 TDE= -0.171560 logGD-logG0= -0.009962 tlogG= -0.047932 logG= -0.057894 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214412 ETOT(band)= -0.232579 trlgG= -0.290178 logG= -0.055406 TDE= -0.340874 Density= 0.214020 ETOT(band)= -0.234106 trlgG= -0.294078 logG= -0.057894 TDE= -0.342091 logGD-logG0= -0.009568 tlogG= -0.047963 logG= -0.057531 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213330 ETOT(band)= -0.234165 trlgG= -0.293524 logG= -0.057531 TDE= -0.341559 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009455 tlogG= -0.047480 logG= -0.056935 Density= 0.214361 ETOT(band)= -0.233493 trlgG= -0.292946 logG= -0.056935 TDE= -0.342087 logGD-logG0= -0.010494 tlogG= -0.048115 logG= -0.058609 logGD-logG0= -0.010539 tlogG= -0.047780 logG= -0.058319 Density= 0.214801 ETOT(band)= -0.233997 trlgG= -0.294228 logG= -0.058319 TDE= -0.342204 logGD-logG0= -0.004919 tlogG= -0.021582 logG= -0.026501 logGD-logG0= -0.005329 tlogG= -0.023596 logG= -0.028925 Density= 0.107818 ETOT(band)= -0.116672 trlgG= -0.146778 logG= -0.028925 TDE= -0.171207 Density= 0.215112 ETOT(band)= -0.234053 trlgG= -0.294741 logG= -0.058609 TDE= -0.342580 logGD-logG0= -0.010403 tlogG= -0.047820 logG= -0.058223 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009842 tlogG= -0.047187 logG= -0.057030 Density= 0.213831 ETOT(band)= -0.233704 trlgG= -0.292605 logG= -0.057030 TDE= -0.341389 logGD-logG0= -0.010574 tlogG= -0.048049 logG= -0.058624 Density= 0.215149 ETOT(band)= -0.234044 trlgG= -0.294768 logG= -0.058624 TDE= -0.342611 Density= 0.214701 ETOT(band)= -0.233990 trlgG= -0.294058 logG= -0.058223 TDE= -0.342080 Density= 0.108527 ETOT(band)= -0.114848 trlgG= -0.142832 logG= -0.026501 TDE= -0.170036 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006998 logG= -0.008627 Density= 0.036200 ETOT(band)= -0.038117 trlgG= -0.047251 logG= -0.008627 TDE= -0.056538 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010086 tlogG= -0.048062 logG= -0.058148 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214578 ETOT(band)= -0.234018 trlgG= -0.294143 logG= -0.058148 TDE= -0.342179 logGD-logG0= -0.009888 tlogG= -0.045683 logG= -0.055570 Density= 0.215193 ETOT(band)= -0.232309 trlgG= -0.289997 logG= -0.055570 TDE= -0.340914 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010202 tlogG= -0.047693 logG= -0.057895 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214001 ETOT(band)= -0.234093 trlgG= -0.293830 logG= -0.057895 TDE= -0.341833 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010560 tlogG= -0.047975 logG= -0.058534 logGD-logG0= -0.010341 tlogG= -0.048014 logG= -0.058355 Density= 0.215115 ETOT(band)= -0.233907 trlgG= -0.294324 logG= -0.058355 TDE= -0.342418 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215930 ETOT(band)= -0.233621 trlgG= -0.294682 logG= -0.058534 TDE= -0.343001 logGD-logG0= -0.010634 tlogG= -0.047562 logG= -0.058195 Density= 0.215736 ETOT(band)= -0.233504 trlgG= -0.294118 logG= -0.058195 TDE= -0.342680 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007309 logG= -0.009005 logGD-logG0= -0.002471 tlogG= -0.010849 logG= -0.013320 Density= 0.035851 ETOT(band)= -0.038564 trlgG= -0.047909 logG= -0.009005 TDE= -0.056645 logGD-logG0= -0.010428 tlogG= -0.047343 logG= -0.057771 logGD-logG0= -0.010200 tlogG= -0.046447 logG= -0.056647 Density= 0.215257 ETOT(band)= -0.232872 trlgG= -0.291630 logG= -0.056647 TDE= -0.341504 Density= 0.054071 ETOT(band)= -0.057573 trlgG= -0.071543 logG= -0.013320 TDE= -0.084980 logGD-logG0= -0.010596 tlogG= -0.047457 logG= -0.058054 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010687 tlogG= -0.048181 logG= -0.058868 Density= 0.215506 ETOT(band)= -0.233542 trlgG= -0.293876 logG= -0.058054 TDE= -0.342465 Density= 0.214310 ETOT(band)= -0.233888 trlgG= -0.293308 logG= -0.057771 TDE= -0.341588 Density= 0.215462 ETOT(band)= -0.234071 trlgG= -0.295207 logG= -0.058868 TDE= -0.342961 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.046915 logG= -0.057554 Density= 0.215468 ETOT(band)= -0.233265 trlgG= -0.293075 logG= -0.057554 TDE= -0.342146 logGD-logG0= -0.010614 tlogG= -0.047923 logG= -0.058537 Density= 0.215803 ETOT(band)= -0.233693 trlgG= -0.294683 logG= -0.058537 TDE= -0.342936 logGD-logG0= -0.009810 tlogG= -0.047257 logG= -0.057068 Density= 0.214524 ETOT(band)= -0.233456 trlgG= -0.292721 logG= -0.057068 TDE= -0.341811 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010112 tlogG= -0.047187 logG= -0.057298 Density= 0.215193 ETOT(band)= -0.233274 trlgG= -0.292647 logG= -0.057298 TDE= -0.341837 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.021893 logG= -0.026897 Density= 0.108339 ETOT(band)= -0.115213 trlgG= -0.143511 logG= -0.026897 TDE= -0.170225 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004838 tlogG= -0.021007 logG= -0.025845 Density= 0.108722 ETOT(band)= -0.114261 trlgG= -0.141677 logG= -0.025845 TDE= -0.169632 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005026 tlogG= -0.021711 logG= -0.026737 Density= 0.107950 ETOT(band)= -0.115308 trlgG= -0.143260 logG= -0.026737 TDE= -0.169942 logGD-logG0= -0.010047 tlogG= -0.043423 logG= -0.053470 Density= 0.216311 ETOT(band)= -0.230407 trlgG= -0.286499 logG= -0.053470 TDE= -0.340070 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.021834 logG= -0.026920 Density= 0.107808 ETOT(band)= -0.115500 trlgG= -0.143569 logG= -0.026920 TDE= -0.169998 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005752 logG= -0.007013 Density= 0.080652 ETOT(band)= -0.087371 trlgG= -0.109614 logG= -0.007013 TDE= -0.042738 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023432 logG= -0.028651 Density= 0.216231 ETOT(band)= -0.232595 trlgG= -0.292220 logG= -0.028651 TDE= -0.171153 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004588 tlogG= -0.023988 logG= -0.028576 Density= 0.212870 ETOT(band)= -0.234188 trlgG= -0.293482 logG= -0.028576 TDE= -0.170796 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024023 logG= -0.028773 Density= 0.214171 ETOT(band)= -0.234011 trlgG= -0.294132 logG= -0.028773 TDE= -0.171195 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023260 logG= -0.028054 Density= 0.213555 ETOT(band)= -0.233535 trlgG= -0.292222 logG= -0.028054 TDE= -0.170709 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023973 logG= -0.029062 Density= 0.214388 ETOT(band)= -0.234022 trlgG= -0.293916 logG= -0.029062 TDE= -0.171028 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005446 tlogG= -0.023372 logG= -0.028818 Density= 0.215149 ETOT(band)= -0.233286 trlgG= -0.292722 logG= -0.028818 TDE= -0.170927 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.022343 logG= -0.027150 Density= 0.215073 ETOT(band)= -0.231884 trlgG= -0.289097 logG= -0.027150 TDE= -0.170219 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001240 tlogG= -0.005624 logG= -0.006864 Density= 0.080852 ETOT(band)= -0.086943 trlgG= -0.108612 logG= -0.006864 TDE= -0.042662 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004445 tlogG= -0.023754 logG= -0.028199 Density= 0.213147 ETOT(band)= -0.233504 trlgG= -0.291759 logG= -0.028199 TDE= -0.170743 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005943 logG= -0.007224 Density= 0.080845 ETOT(band)= -0.087623 trlgG= -0.110368 logG= -0.007224 TDE= -0.042857 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005176 logG= -0.006366 Density= 0.062555 ETOT(band)= -0.067523 trlgG= -0.084209 logG= -0.006366 TDE= -0.042351 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001276 tlogG= -0.005860 logG= -0.007136 Density= 0.080664 ETOT(band)= -0.087586 trlgG= -0.110169 logG= -0.007136 TDE= -0.042803 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023905 logG= -0.028519 logGD-logG0= -0.004979 tlogG= -0.022921 logG= -0.027900 Density= 0.213339 ETOT(band)= -0.233781 trlgG= -0.292491 logG= -0.028519 TDE= -0.170747 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214843 ETOT(band)= -0.232330 trlgG= -0.289696 logG= -0.027900 TDE= -0.170396 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.022457 logG= -0.027586 Density= 0.216404 ETOT(band)= -0.231223 trlgG= -0.288619 logG= -0.027586 TDE= -0.170533 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.022985 logG= -0.028176 Density= 0.216259 ETOT(band)= -0.232021 trlgG= -0.290603 logG= -0.028176 TDE= -0.170867 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004927 tlogG= -0.023899 logG= -0.028826 Density= 0.213841 ETOT(band)= -0.233933 trlgG= -0.293004 logG= -0.028826 TDE= -0.170757 logGD-logG0= -0.001437 tlogG= -0.007970 logG= -0.009407 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070888 ETOT(band)= -0.077921 trlgG= -0.097450 logG= -0.009407 TDE= -0.056950 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024018 logG= -0.029255 Density= 0.215722 ETOT(band)= -0.233792 trlgG= -0.294836 logG= -0.029255 TDE= -0.171542 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023387 logG= -0.028049 Density= 0.214234 ETOT(band)= -0.233297 trlgG= -0.292338 logG= -0.028049 TDE= -0.170873 logGD-logG0= -0.004845 tlogG= -0.023852 logG= -0.028697 Density= 0.213628 ETOT(band)= -0.234069 trlgG= -0.293739 logG= -0.028697 TDE= -0.171013 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.024146 logG= -0.028457 Density= 0.212240 ETOT(band)= -0.234286 trlgG= -0.293676 logG= -0.028457 TDE= -0.170941 logGD-logG0= -0.005271 tlogG= -0.023816 logG= -0.029086 Density= 0.215373 ETOT(band)= -0.233696 trlgG= -0.294180 logG= -0.029086 TDE= -0.171390 logGD-logG0= -0.005180 tlogG= -0.023211 logG= -0.028391 Density= 0.214913 ETOT(band)= -0.232884 trlgG= -0.291226 logG= -0.028391 TDE= -0.170583 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023500 logG= -0.028763 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215256 ETOT(band)= -0.233260 trlgG= -0.292916 logG= -0.028763 TDE= -0.171133 logGD-logG0= -0.005201 tlogG= -0.024016 logG= -0.029217 Density= 0.216385 ETOT(band)= -0.233279 trlgG= -0.294366 logG= -0.029217 TDE= -0.171560 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005988 logG= -0.007267 Density= 0.081072 ETOT(band)= -0.087527 trlgG= -0.110422 logG= -0.007267 TDE= -0.042887 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.024138 logG= -0.029468 Density= 0.215755 ETOT(band)= -0.233948 trlgG= -0.295251 logG= -0.029468 TDE= -0.171574 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024022 logG= -0.028805 Density= 0.321638 ETOT(band)= -0.350998 trlgG= -0.441345 logG= -0.028805 TDE= -0.171190 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.023862 logG= -0.028948 Density= 0.215534 ETOT(band)= -0.233693 trlgG= -0.294284 logG= -0.028948 TDE= -0.171077 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004500 tlogG= -0.023601 logG= -0.028101 Density= 0.212683 ETOT(band)= -0.233909 trlgG= -0.292731 logG= -0.028101 TDE= -0.170659 logGD-logG0= -0.005194 tlogG= -0.023973 logG= -0.029167 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216418 ETOT(band)= -0.233175 trlgG= -0.294134 logG= -0.029167 TDE= -0.171533 logGD-logG0= -0.010476 tlogG= -0.047269 logG= -0.057745 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010431 tlogG= -0.047819 logG= -0.058250 Density= 0.324397 ETOT(band)= -0.349822 trlgG= -0.441045 logG= -0.058250 TDE= -0.342960 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.024178 logG= -0.029233 Density= 0.322504 ETOT(band)= -0.351117 trlgG= -0.442028 logG= -0.029233 TDE= -0.171196 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324182 ETOT(band)= -0.349453 trlgG= -0.439695 logG= -0.057745 TDE= -0.342568 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.024173 logG= -0.029202 Density= 0.214785 ETOT(band)= -0.234097 trlgG= -0.294534 logG= -0.029202 TDE= -0.171201 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.048074 logG= -0.058787 logGD-logG0= -0.009705 tlogG= -0.046638 logG= -0.056343 Density= 0.322770 ETOT(band)= -0.348910 trlgG= -0.436415 logG= -0.056343 TDE= -0.341540 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323304 ETOT(band)= -0.350886 trlgG= -0.442379 logG= -0.058787 TDE= -0.342951 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.023779 logG= -0.028992 Density= 0.216309 ETOT(band)= -0.232976 trlgG= -0.293428 logG= -0.028992 TDE= -0.171392 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023383 logG= -0.028078 Density= 0.321709 ETOT(band)= -0.349949 trlgG= -0.438768 logG= -0.028078 TDE= -0.170865 logGD-logG0= -0.001208 tlogG= -0.005312 logG= -0.006520 Density= 0.081567 ETOT(band)= -0.085666 trlgG= -0.106220 logG= -0.006520 TDE= -0.042453 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010198 tlogG= -0.045664 logG= -0.055862 logGD-logG0= -0.005259 tlogG= -0.024101 logG= -0.029361 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323120 ETOT(band)= -0.351093 trlgG= -0.442680 logG= -0.029361 TDE= -0.171387 Density= 0.324098 ETOT(band)= -0.347850 trlgG= -0.434988 logG= -0.055862 TDE= -0.341388 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023914 logG= -0.029292 Density= 0.215682 ETOT(band)= -0.233695 trlgG= -0.294564 logG= -0.029292 TDE= -0.171398 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001586 tlogG= -0.006880 logG= -0.008466 Density= 0.040852 ETOT(band)= -0.042663 trlgG= -0.052803 logG= -0.008466 TDE= -0.056452 logGD-logG0= -0.005040 tlogG= -0.023261 logG= -0.028302 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.321774 ETOT(band)= -0.350458 trlgG= -0.439620 logG= -0.028302 TDE= -0.170820 logGD-logG0= -0.005363 tlogG= -0.023974 logG= -0.029336 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323713 ETOT(band)= -0.350563 trlgG= -0.442128 logG= -0.029336 TDE= -0.171446 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010472 tlogG= -0.046449 logG= -0.056921 Density= 0.324049 ETOT(band)= -0.348795 trlgG= -0.437607 logG= -0.056921 TDE= -0.342011 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008979 tlogG= -0.048126 logG= -0.057105 Density= 0.425659 ETOT(band)= -0.468174 trlgG= -0.586449 logG= -0.057105 TDE= -0.341707 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005473 logG= -0.006700 Density= 0.081212 ETOT(band)= -0.086332 trlgG= -0.107377 logG= -0.006700 TDE= -0.042564 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009662 tlogG= -0.047871 logG= -0.057533 Density= 0.428139 ETOT(band)= -0.468005 trlgG= -0.587848 logG= -0.057533 TDE= -0.342194 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009471 tlogG= -0.046744 logG= -0.056214 Density= 0.427998 ETOT(band)= -0.465978 trlgG= -0.581847 logG= -0.056214 TDE= -0.341148 logGD-logG0= -0.001576 tlogG= -0.007593 logG= -0.009170 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071513 ETOT(band)= -0.077323 trlgG= -0.096157 logG= -0.009170 TDE= -0.056725 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010166 tlogG= -0.048181 logG= -0.058346 Density= 0.429390 ETOT(band)= -0.468126 trlgG= -0.588627 logG= -0.058346 TDE= -0.342242 logGD-logG0= -0.010334 tlogG= -0.047989 logG= -0.058323 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429295 ETOT(band)= -0.468087 trlgG= -0.588270 logG= -0.058323 TDE= -0.342080 logGD-logG0= -0.010298 tlogG= -0.048255 logG= -0.058553 Density= 0.430120 ETOT(band)= -0.468134 trlgG= -0.589397 logG= -0.058553 TDE= -0.342454 logGD-logG0= -0.009525 tlogG= -0.046639 logG= -0.056164 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428200 ETOT(band)= -0.466701 trlgG= -0.584454 logG= -0.056164 TDE= -0.341564 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.047701 logG= -0.057976 Density= 0.428390 ETOT(band)= -0.467991 trlgG= -0.587182 logG= -0.057976 TDE= -0.341835 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009669 tlogG= -0.047683 logG= -0.057352 logGD-logG0= -0.010677 tlogG= -0.047764 logG= -0.058441 Density= 0.430828 ETOT(band)= -0.467392 trlgG= -0.588362 logG= -0.058441 TDE= -0.342597 logGD-logG0= -0.009838 tlogG= -0.047886 logG= -0.057724 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426786 ETOT(band)= -0.468209 trlgG= -0.586972 logG= -0.057352 TDE= -0.341725 Density= 0.429228 ETOT(band)= -0.467788 trlgG= -0.587830 logG= -0.057724 TDE= -0.342182 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.021319 logG= -0.026239 Density= 0.162669 ETOT(band)= -0.172943 trlgG= -0.215933 logG= -0.026239 TDE= -0.169848 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005426 tlogG= -0.023700 logG= -0.029126 Density= 0.215446 ETOT(band)= -0.233546 trlgG= -0.293865 logG= -0.029126 TDE= -0.171220 logGD-logG0= -0.010782 tlogG= -0.047725 logG= -0.058507 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431165 ETOT(band)= -0.467339 trlgG= -0.588724 logG= -0.058507 TDE= -0.342704 logGD-logG0= -0.010508 tlogG= -0.048105 logG= -0.058613 Density= 0.430226 ETOT(band)= -0.467965 trlgG= -0.589070 logG= -0.058613 TDE= -0.342580 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009623 tlogG= -0.047802 logG= -0.057425 Density= 0.427285 ETOT(band)= -0.467763 trlgG= -0.585829 logG= -0.057425 TDE= -0.341427 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009953 tlogG= -0.046433 logG= -0.056386 Density= 0.429623 ETOT(band)= -0.465417 trlgG= -0.581532 logG= -0.056386 TDE= -0.341260 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010337 tlogG= -0.046964 logG= -0.057301 Density= 0.429966 ETOT(band)= -0.466336 trlgG= -0.584231 logG= -0.057301 TDE= -0.341549 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010018 tlogG= -0.047591 logG= -0.057610 Density= 0.428705 ETOT(band)= -0.467336 trlgG= -0.586224 logG= -0.057610 TDE= -0.341880 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010706 tlogG= -0.048051 logG= -0.058757 Density= 0.431404 ETOT(band)= -0.467622 trlgG= -0.589718 logG= -0.058757 TDE= -0.342969 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010736 tlogG= -0.047302 logG= -0.058039 Density= 0.430560 ETOT(band)= -0.466967 trlgG= -0.586889 logG= -0.058039 TDE= -0.342213 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.021897 logG= -0.026989 Density= 0.216658 ETOT(band)= -0.230226 trlgG= -0.286505 logG= -0.026989 TDE= -0.170193 logGD-logG0= -0.010262 tlogG= -0.047604 logG= -0.057865 Density= 0.430094 ETOT(band)= -0.466984 trlgG= -0.586162 logG= -0.057865 TDE= -0.341993 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004847 tlogG= -0.022344 logG= -0.027191 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322936 ETOT(band)= -0.347879 trlgG= -0.434026 logG= -0.027191 TDE= -0.170213 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009991 tlogG= -0.044656 logG= -0.054646 Density= 0.324339 ETOT(band)= -0.346581 trlgG= -0.431980 logG= -0.054646 TDE= -0.340711 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007123 logG= -0.008820 Density= 0.072240 ETOT(band)= -0.076460 trlgG= -0.094848 logG= -0.008820 TDE= -0.056612 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.022308 logG= -0.027268 Density= 0.214311 ETOT(band)= -0.232367 trlgG= -0.289446 logG= -0.027268 TDE= -0.170132 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.022488 logG= -0.027418 Density= 0.215067 ETOT(band)= -0.231595 trlgG= -0.288054 logG= -0.027418 TDE= -0.170145 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.021369 logG= -0.026371 Density= 0.217048 ETOT(band)= -0.229121 trlgG= -0.284304 logG= -0.026371 TDE= -0.169861 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044657 logG= -0.054498 Density= 0.431683 ETOT(band)= -0.461954 trlgG= -0.574766 logG= -0.054498 TDE= -0.340346 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.021224 logG= -0.026185 Density= 0.216379 ETOT(band)= -0.229978 trlgG= -0.285557 logG= -0.026185 TDE= -0.169768 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.723423533722 eV TrLogG= -407.310112790067 eV Ratio to renormalize= 0.999828038565 rho-rho_expected= 0.003783802233 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964576810733104 0.940233092292559 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002613 tlogG= -0.011987 logG= -0.014600 Density= 0.054100 ETOT(band)= -0.058294 trlgG= -0.073613 logG= -0.014600 TDE= -0.085784 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002683 tlogG= -0.011991 logG= -0.014673 Density= 0.053946 ETOT(band)= -0.058414 trlgG= -0.073734 logG= -0.014673 TDE= -0.085756 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.023973 logG= -0.029312 Density= 0.107373 ETOT(band)= -0.117049 trlgG= -0.147370 logG= -0.029312 TDE= -0.171191 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009966 tlogG= -0.045603 logG= -0.055569 Density= 0.214226 ETOT(band)= -0.232642 trlgG= -0.290439 logG= -0.055569 TDE= -0.340880 logGD-logG0= -0.009327 tlogG= -0.047643 logG= -0.056970 Density= 0.212791 ETOT(band)= -0.234024 trlgG= -0.293149 logG= -0.056970 TDE= -0.341479 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010070 tlogG= -0.045663 logG= -0.055733 Density= 0.215010 ETOT(band)= -0.232369 trlgG= -0.290256 logG= -0.055733 TDE= -0.340920 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.021882 logG= -0.026976 Density= 0.108250 ETOT(band)= -0.115241 trlgG= -0.143636 logG= -0.026976 TDE= -0.170228 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001522 tlogG= -0.007813 logG= -0.009335 Density= 0.035470 ETOT(band)= -0.038922 trlgG= -0.048649 logG= -0.009335 TDE= -0.056866 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001442 tlogG= -0.008046 logG= -0.009488 Density= 0.035291 ETOT(band)= -0.039073 trlgG= -0.049013 logG= -0.009488 TDE= -0.056989 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004431 tlogG= -0.024057 logG= -0.028488 Density= 0.106051 ETOT(band)= -0.117155 trlgG= -0.146913 logG= -0.028488 TDE= -0.170905 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004458 tlogG= -0.023980 logG= -0.028437 Density= 0.106103 ETOT(band)= -0.117112 trlgG= -0.146800 logG= -0.028437 TDE= -0.170868 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010225 tlogG= -0.043403 logG= -0.053628 Density= 0.216134 ETOT(band)= -0.230462 trlgG= -0.286751 logG= -0.053628 TDE= -0.340076 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004731 tlogG= -0.023211 logG= -0.027941 Density= 0.106669 ETOT(band)= -0.116613 trlgG= -0.145593 logG= -0.027941 TDE= -0.170437 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004654 tlogG= -0.024052 logG= -0.028706 Density= 0.106321 ETOT(band)= -0.117144 trlgG= -0.146924 logG= -0.028706 TDE= -0.170831 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.022177 logG= -0.027236 Density= 0.108286 ETOT(band)= -0.115425 trlgG= -0.144085 logG= -0.027236 TDE= -0.170434 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023692 logG= -0.028510 Density= 0.106907 ETOT(band)= -0.116834 trlgG= -0.146614 logG= -0.028510 TDE= -0.171006 logGD-logG0= -0.001659 tlogG= -0.006994 logG= -0.008653 logGD-logG0= -0.005012 tlogG= -0.023900 logG= -0.028912 Density= 0.036171 ETOT(band)= -0.038125 trlgG= -0.047292 logG= -0.008653 TDE= -0.056539 Density= 0.106688 ETOT(band)= -0.117106 trlgG= -0.147036 logG= -0.028912 TDE= -0.170918 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001726 tlogG= -0.007306 logG= -0.009032 Density= 0.035820 ETOT(band)= -0.038573 trlgG= -0.047952 logG= -0.009032 TDE= -0.056646 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005138 tlogG= -0.022741 logG= -0.027879 Density= 0.108175 ETOT(band)= -0.115868 trlgG= -0.145130 logG= -0.027879 TDE= -0.170781 logGD-logG0= -0.004848 tlogG= -0.022858 logG= -0.027706 Density= 0.107228 ETOT(band)= -0.116229 trlgG= -0.145180 logG= -0.027706 TDE= -0.170535 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023204 logG= -0.028613 Density= 0.107611 ETOT(band)= -0.116539 trlgG= -0.146278 logG= -0.028613 TDE= -0.170916 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002516 tlogG= -0.010844 logG= -0.013360 Density= 0.054027 ETOT(band)= -0.057587 trlgG= -0.071606 logG= -0.013360 TDE= -0.084982 logGD-logG0= -0.005008 tlogG= -0.021572 logG= -0.026579 Density= 0.108440 ETOT(band)= -0.114874 trlgG= -0.142957 logG= -0.026579 TDE= -0.170039 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000200 tlogG= -0.000853 logG= -0.001053 Density= 0.004540 ETOT(band)= -0.004733 trlgG= -0.005858 logG= -0.001053 TDE= -0.007051 logGD-logG0= -0.002657 tlogG= -0.012035 logG= -0.014692 Density= 0.053727 ETOT(band)= -0.058531 trlgG= -0.073749 logG= -0.014692 TDE= -0.085643 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002386 tlogG= -0.011451 logG= -0.013837 Density= 0.053702 ETOT(band)= -0.058067 trlgG= -0.072564 logG= -0.013837 TDE= -0.085301 logGD-logG0= -0.002475 tlogG= -0.012085 logG= -0.014560 Density= 0.053549 ETOT(band)= -0.058542 trlgG= -0.073691 logG= -0.014560 TDE= -0.085630 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002380 tlogG= -0.011886 logG= -0.014266 Density= 0.053527 ETOT(band)= -0.058397 trlgG= -0.073329 logG= -0.014266 TDE= -0.085550 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.023770 logG= -0.029029 Density= 0.108103 ETOT(band)= -0.116537 trlgG= -0.146952 logG= -0.029029 TDE= -0.171418 logGD-logG0= -0.005388 tlogG= -0.024078 logG= -0.029466 logGD-logG0= -0.005143 tlogG= -0.022464 logG= -0.027607 Density= 0.107570 ETOT(band)= -0.117063 trlgG= -0.147644 logG= -0.029466 TDE= -0.171409 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108131 ETOT(band)= -0.115731 trlgG= -0.144693 logG= -0.027607 TDE= -0.170595 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.022989 logG= -0.028201 Density= 0.108062 ETOT(band)= -0.116104 trlgG= -0.145641 logG= -0.028201 TDE= -0.170915 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.023695 logG= -0.028634 Density= 0.107308 ETOT(band)= -0.116716 trlgG= -0.146524 logG= -0.028634 TDE= -0.170992 logGD-logG0= -0.005246 tlogG= -0.023956 logG= -0.029203 Density= 0.108154 ETOT(band)= -0.116612 trlgG= -0.147231 logG= -0.029203 TDE= -0.171548 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023437 logG= -0.028691 logGD-logG0= -0.005420 tlogG= -0.023910 logG= -0.029330 logGD-logG0= -0.005396 tlogG= -0.023690 logG= -0.029086 Density= 0.108057 ETOT(band)= -0.116375 trlgG= -0.146416 logG= -0.028691 TDE= -0.171197 logGD-logG0= -0.005236 tlogG= -0.023612 logG= -0.028847 logGD-logG0= -0.005233 tlogG= -0.023878 logG= -0.029111 Density= 0.108174 ETOT(band)= -0.116548 trlgG= -0.147082 logG= -0.029111 TDE= -0.171501 Density= 0.107679 ETOT(band)= -0.116929 trlgG= -0.147429 logG= -0.029330 TDE= -0.171384 Density= 0.107161 ETOT(band)= -0.116996 trlgG= -0.146974 logG= -0.029086 TDE= -0.170916 logGD-logG0= -0.005399 tlogG= -0.024093 logG= -0.029491 Density= 0.107814 ETOT(band)= -0.116971 trlgG= -0.147708 logG= -0.029491 TDE= -0.171569 Density= 0.108129 ETOT(band)= -0.116421 trlgG= -0.146660 logG= -0.028847 TDE= -0.171321 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.023650 logG= -0.028756 Density= 0.106909 ETOT(band)= -0.116923 trlgG= -0.146423 logG= -0.028756 TDE= -0.170570 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023222 logG= -0.028427 logGD-logG0= -0.004817 tlogG= -0.022995 logG= -0.027812 Density= 0.106804 ETOT(band)= -0.116482 trlgG= -0.145331 logG= -0.027812 TDE= -0.170371 logGD-logG0= -0.005218 tlogG= -0.022882 logG= -0.028101 Density= 0.107545 ETOT(band)= -0.116290 trlgG= -0.145467 logG= -0.028101 TDE= -0.170586 Density= 0.108121 ETOT(band)= -0.116198 trlgG= -0.145997 logG= -0.028427 TDE= -0.171073 logGD-logG0= -0.005119 tlogG= -0.022415 logG= -0.027534 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.023506 logG= -0.028349 Density= 0.106705 ETOT(band)= -0.116804 trlgG= -0.146079 logG= -0.028349 TDE= -0.170533 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107564 ETOT(band)= -0.115956 trlgG= -0.144571 logG= -0.027534 TDE= -0.170265 logGD-logG0= -0.004788 tlogG= -0.023675 logG= -0.028463 Density= 0.106530 ETOT(band)= -0.116950 trlgG= -0.146508 logG= -0.028463 TDE= -0.170761 logGD-logG0= -0.004991 tlogG= -0.024075 logG= -0.029066 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106986 ETOT(band)= -0.117088 trlgG= -0.147291 logG= -0.029066 TDE= -0.171168 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005432 tlogG= -0.024139 logG= -0.029571 Density= 0.107738 ETOT(band)= -0.117059 trlgG= -0.147834 logG= -0.029571 TDE= -0.171577 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.024064 logG= -0.029437 logGD-logG0= -0.004971 tlogG= -0.022856 logG= -0.027827 Density= 0.107677 ETOT(band)= -0.116086 trlgG= -0.145056 logG= -0.027827 TDE= -0.170512 Density= 0.107873 ETOT(band)= -0.116904 trlgG= -0.147620 logG= -0.029437 TDE= -0.171564 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.024099 logG= -0.029202 Density= 0.107308 ETOT(band)= -0.117027 trlgG= -0.147267 logG= -0.029202 TDE= -0.171166 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.023876 logG= -0.029260 Density= 0.107842 ETOT(band)= -0.116798 trlgG= -0.147323 logG= -0.029260 TDE= -0.171429 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010004 tlogG= -0.048256 logG= -0.058260 Density= 0.214262 ETOT(band)= -0.234135 trlgG= -0.294658 logG= -0.058260 TDE= -0.342426 logGD-logG0= -0.009686 tlogG= -0.045773 logG= -0.055460 Density= 0.214878 ETOT(band)= -0.232293 trlgG= -0.290263 logG= -0.055460 TDE= -0.341136 logGD-logG0= -0.005421 tlogG= -0.023586 logG= -0.029007 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107727 ETOT(band)= -0.116701 trlgG= -0.146908 logG= -0.029007 TDE= -0.171210 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009869 tlogG= -0.047171 logG= -0.057041 Density= 0.213630 ETOT(band)= -0.233726 trlgG= -0.293079 logG= -0.057041 TDE= -0.341754 logGD-logG0= -0.010150 tlogG= -0.047912 logG= -0.058062 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213831 ETOT(band)= -0.234172 trlgG= -0.294345 logG= -0.058062 TDE= -0.342097 logGD-logG0= -0.010679 tlogG= -0.048096 logG= -0.058775 Density= 0.214928 ETOT(band)= -0.234114 trlgG= -0.295004 logG= -0.058775 TDE= -0.342587 logGD-logG0= -0.010027 tlogG= -0.047169 logG= -0.057197 logGD-logG0= -0.010725 tlogG= -0.047761 logG= -0.058485 Density= 0.214616 ETOT(band)= -0.234060 trlgG= -0.294492 logG= -0.058485 TDE= -0.342210 Density= 0.213641 ETOT(band)= -0.233771 trlgG= -0.292871 logG= -0.057197 TDE= -0.341395 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047945 logG= -0.057700 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213137 ETOT(band)= -0.234234 trlgG= -0.293795 logG= -0.057700 TDE= -0.341565 logGD-logG0= -0.010527 tlogG= -0.047994 logG= -0.058522 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214931 ETOT(band)= -0.233969 trlgG= -0.294588 logG= -0.058522 TDE= -0.342425 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009641 tlogG= -0.047460 logG= -0.057101 Density= 0.214173 ETOT(band)= -0.233558 trlgG= -0.293211 logG= -0.057101 TDE= -0.342093 logGD-logG0= -0.010760 tlogG= -0.048030 logG= -0.058790 logGD-logG0= -0.002454 tlogG= -0.010430 logG= -0.012884 Density= 0.214965 ETOT(band)= -0.234106 trlgG= -0.295032 logG= -0.058790 TDE= -0.342617 Density= 0.054341 ETOT(band)= -0.057070 trlgG= -0.070760 logG= -0.012884 TDE= -0.084767 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010389 tlogG= -0.047674 logG= -0.058063 Density= 0.213811 ETOT(band)= -0.234159 trlgG= -0.294098 logG= -0.058063 TDE= -0.341839 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010273 tlogG= -0.048042 logG= -0.058315 Density= 0.214391 ETOT(band)= -0.234082 trlgG= -0.294408 logG= -0.058315 TDE= -0.342185 logGD-logG0= -0.010818 tlogG= -0.047541 logG= -0.058359 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215555 ETOT(band)= -0.233562 trlgG= -0.294377 logG= -0.058359 TDE= -0.342686 logGD-logG0= -0.010589 tlogG= -0.047801 logG= -0.058390 Density= 0.214515 ETOT(band)= -0.234054 trlgG= -0.294323 logG= -0.058390 TDE= -0.342086 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010744 tlogG= -0.047954 logG= -0.058697 logGD-logG0= -0.010614 tlogG= -0.047324 logG= -0.057938 Density= 0.214123 ETOT(band)= -0.233953 trlgG= -0.293574 logG= -0.057938 TDE= -0.341594 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215750 ETOT(band)= -0.233679 trlgG= -0.294940 logG= -0.058697 TDE= -0.343007 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010780 tlogG= -0.047438 logG= -0.058218 Density= 0.215324 ETOT(band)= -0.233602 trlgG= -0.294136 logG= -0.058218 TDE= -0.342471 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010383 tlogG= -0.046427 logG= -0.056811 Density= 0.215075 ETOT(band)= -0.232933 trlgG= -0.291891 logG= -0.056811 TDE= -0.341510 logGD-logG0= -0.010873 tlogG= -0.048161 logG= -0.059034 Density= 0.215280 ETOT(band)= -0.234132 trlgG= -0.295470 logG= -0.059034 TDE= -0.342967 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010799 tlogG= -0.047902 logG= -0.058701 Density= 0.215623 ETOT(band)= -0.233751 trlgG= -0.294942 logG= -0.058701 TDE= -0.342942 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009996 tlogG= -0.047237 logG= -0.057233 Density= 0.214338 ETOT(band)= -0.233520 trlgG= -0.292985 logG= -0.057233 TDE= -0.341817 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010822 tlogG= -0.046895 logG= -0.057717 Density= 0.215287 ETOT(band)= -0.233325 trlgG= -0.293335 logG= -0.057717 TDE= -0.342153 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047167 logG= -0.057463 Density= 0.215010 ETOT(band)= -0.233335 trlgG= -0.292908 logG= -0.057463 TDE= -0.341843 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.020997 logG= -0.025923 Density= 0.108636 ETOT(band)= -0.114287 trlgG= -0.141800 logG= -0.025923 TDE= -0.169635 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005175 tlogG= -0.021824 logG= -0.026999 Density= 0.107718 ETOT(band)= -0.115528 trlgG= -0.143696 logG= -0.026999 TDE= -0.170001 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005116 tlogG= -0.021701 logG= -0.026817 Density= 0.107860 ETOT(band)= -0.115336 trlgG= -0.143387 logG= -0.026817 TDE= -0.169945 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001302 tlogG= -0.005985 logG= -0.007287 Density= 0.081005 ETOT(band)= -0.087549 trlgG= -0.110519 logG= -0.007287 TDE= -0.042888 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.024163 logG= -0.029286 Density= 0.214600 ETOT(band)= -0.234160 trlgG= -0.294798 logG= -0.029286 TDE= -0.171204 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009655 tlogG= -0.046725 logG= -0.056380 Density= 0.427621 ETOT(band)= -0.466108 trlgG= -0.582375 logG= -0.056380 TDE= -0.341154 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.021309 logG= -0.026317 Density= 0.162538 ETOT(band)= -0.172983 trlgG= -0.216121 logG= -0.026317 TDE= -0.169851 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010138 tlogG= -0.046413 logG= -0.056551 Density= 0.429254 ETOT(band)= -0.465541 trlgG= -0.582055 logG= -0.056551 TDE= -0.341266 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009167 tlogG= -0.048107 logG= -0.057274 Density= 0.425267 ETOT(band)= -0.468317 trlgG= -0.586992 logG= -0.057274 TDE= -0.341713 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010171 tlogG= -0.044636 logG= -0.054808 Density= 0.324072 ETOT(band)= -0.346666 trlgG= -0.432361 logG= -0.054808 TDE= -0.340717 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001468 tlogG= -0.007967 logG= -0.009435 Density= 0.070823 ETOT(band)= -0.077945 trlgG= -0.097540 logG= -0.009435 TDE= -0.056951 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004405 tlogG= -0.024137 logG= -0.028542 Density= 0.212040 ETOT(band)= -0.234361 trlgG= -0.293951 logG= -0.028542 TDE= -0.170944 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004593 tlogG= -0.023592 logG= -0.028185 Density= 0.212486 ETOT(band)= -0.233980 trlgG= -0.293002 logG= -0.028185 TDE= -0.170661 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010021 tlogG= -0.044638 logG= -0.054659 Density= 0.431324 ETOT(band)= -0.462069 trlgG= -0.575274 logG= -0.054659 TDE= -0.340352 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001607 tlogG= -0.007590 logG= -0.009197 Density= 0.071451 ETOT(band)= -0.077344 trlgG= -0.096243 logG= -0.009197 TDE= -0.056726 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023979 logG= -0.028660 Density= 0.212675 ETOT(band)= -0.234259 trlgG= -0.293754 logG= -0.028660 TDE= -0.170799 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.022447 logG= -0.027667 Density= 0.216226 ETOT(band)= -0.231279 trlgG= -0.288874 logG= -0.027667 TDE= -0.170536 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001212 tlogG= -0.005173 logG= -0.006385 Density= 0.062500 ETOT(band)= -0.067542 trlgG= -0.084286 logG= -0.006385 TDE= -0.042352 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005283 tlogG= -0.022975 logG= -0.028258 Density= 0.216081 ETOT(band)= -0.232077 trlgG= -0.290860 logG= -0.028258 TDE= -0.170870 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.023377 logG= -0.028132 Density= 0.214046 ETOT(band)= -0.233363 trlgG= -0.292603 logG= -0.028132 TDE= -0.170876 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023745 logG= -0.028283 Density= 0.212953 ETOT(band)= -0.233573 trlgG= -0.292027 logG= -0.028283 TDE= -0.170746 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001727 tlogG= -0.007119 logG= -0.008846 Density= 0.072181 ETOT(band)= -0.076478 trlgG= -0.094932 logG= -0.008846 TDE= -0.056613 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005538 tlogG= -0.023363 logG= -0.028900 Density= 0.214965 ETOT(band)= -0.233347 trlgG= -0.292984 logG= -0.028900 TDE= -0.170930 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.023842 logG= -0.028781 Density= 0.213437 ETOT(band)= -0.234137 trlgG= -0.294008 logG= -0.028781 TDE= -0.171016 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005470 logG= -0.006720 Density= 0.081146 ETOT(band)= -0.086353 trlgG= -0.107471 logG= -0.006720 TDE= -0.042565 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005181 tlogG= -0.021887 logG= -0.027068 Density= 0.216482 ETOT(band)= -0.230281 trlgG= -0.286756 logG= -0.027068 TDE= -0.170196 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004897 tlogG= -0.022333 logG= -0.027230 Density= 0.214889 ETOT(band)= -0.231944 trlgG= -0.289356 logG= -0.027230 TDE= -0.170222 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001303 tlogG= -0.005941 logG= -0.007244 logGD-logG0= -0.001299 tlogG= -0.005857 logG= -0.007156 Density= 0.080595 ETOT(band)= -0.087610 trlgG= -0.110268 logG= -0.007156 TDE= -0.042804 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080777 ETOT(band)= -0.087645 trlgG= -0.110465 logG= -0.007244 TDE= -0.042858 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005621 logG= -0.006884 Density= 0.080784 ETOT(band)= -0.086965 trlgG= -0.108709 logG= -0.006884 TDE= -0.042662 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005750 logG= -0.007033 Density= 0.080583 ETOT(band)= -0.087394 trlgG= -0.109712 logG= -0.007033 TDE= -0.042739 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005329 tlogG= -0.024007 logG= -0.029336 Density= 0.215541 ETOT(band)= -0.233851 trlgG= -0.295096 logG= -0.029336 TDE= -0.171545 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005354 tlogG= -0.023490 logG= -0.028845 Density= 0.215073 ETOT(band)= -0.233320 trlgG= -0.293177 logG= -0.028845 TDE= -0.171136 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023852 logG= -0.029030 Density= 0.215352 ETOT(band)= -0.233752 trlgG= -0.294545 logG= -0.029030 TDE= -0.171080 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.024006 logG= -0.029298 logGD-logG0= -0.005363 tlogG= -0.023805 logG= -0.029168 Density= 0.215191 ETOT(band)= -0.233756 trlgG= -0.294442 logG= -0.029168 TDE= -0.171393 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216207 ETOT(band)= -0.233335 trlgG= -0.294621 logG= -0.029298 TDE= -0.171563 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023963 logG= -0.029145 Density= 0.214201 ETOT(band)= -0.234087 trlgG= -0.294181 logG= -0.029145 TDE= -0.171031 logGD-logG0= -0.004877 tlogG= -0.024012 logG= -0.028888 Density= 0.321357 ETOT(band)= -0.351095 trlgG= -0.441744 logG= -0.028888 TDE= -0.171193 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010614 tlogG= -0.047799 logG= -0.058412 Density= 0.324130 ETOT(band)= -0.349907 trlgG= -0.441429 logG= -0.058412 TDE= -0.342966 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.023963 logG= -0.029248 Density= 0.216241 ETOT(band)= -0.233231 trlgG= -0.294389 logG= -0.029248 TDE= -0.171536 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001615 tlogG= -0.006877 logG= -0.008492 Density= 0.040820 ETOT(band)= -0.042672 trlgG= -0.052849 logG= -0.008492 TDE= -0.056453 logGD-logG0= -0.005020 tlogG= -0.023890 logG= -0.028910 logGD-logG0= -0.004707 tlogG= -0.023896 logG= -0.028603 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213147 ETOT(band)= -0.233850 trlgG= -0.292760 logG= -0.028603 TDE= -0.170750 Density= 0.213651 ETOT(band)= -0.233999 trlgG= -0.293271 logG= -0.028910 TDE= -0.170760 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.023768 logG= -0.029073 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010899 tlogG= -0.048054 logG= -0.058953 logGD-logG0= -0.005423 tlogG= -0.024128 logG= -0.029551 Density= 0.216131 ETOT(band)= -0.233032 trlgG= -0.293684 logG= -0.029073 TDE= -0.171395 Density= 0.215574 ETOT(band)= -0.234007 trlgG= -0.295512 logG= -0.029551 TDE= -0.171577 Density= 0.323031 ETOT(band)= -0.350977 trlgG= -0.442772 logG= -0.058953 TDE= -0.342957 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.024169 logG= -0.029317 Density= 0.322228 ETOT(band)= -0.351211 trlgG= -0.442423 logG= -0.029317 TDE= -0.171199 logGD-logG0= -0.010380 tlogG= -0.045645 logG= -0.056025 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323830 ETOT(band)= -0.347936 trlgG= -0.435373 logG= -0.056025 TDE= -0.341394 logGD-logG0= -0.005311 tlogG= -0.023421 logG= -0.028733 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216052 ETOT(band)= -0.232652 trlgG= -0.292476 logG= -0.028733 TDE= -0.171156 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004787 tlogG= -0.023374 logG= -0.028161 Density= 0.321428 ETOT(band)= -0.350046 trlgG= -0.439164 logG= -0.028161 TDE= -0.170868 logGD-logG0= -0.005352 tlogG= -0.024091 logG= -0.029444 Density= 0.322846 ETOT(band)= -0.351184 trlgG= -0.443075 logG= -0.029444 TDE= -0.171391 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023252 logG= -0.028384 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.024013 logG= -0.028857 Density= 0.321494 ETOT(band)= -0.350554 trlgG= -0.440017 logG= -0.028384 TDE= -0.170823 Density= 0.213982 ETOT(band)= -0.234076 trlgG= -0.294399 logG= -0.028857 TDE= -0.171198 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005471 tlogG= -0.023904 logG= -0.029374 Density= 0.215501 ETOT(band)= -0.233754 trlgG= -0.294824 logG= -0.029374 TDE= -0.171401 logGD-logG0= -0.010660 tlogG= -0.047248 logG= -0.057907 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323914 ETOT(band)= -0.349539 trlgG= -0.440080 logG= -0.057907 TDE= -0.342574 logGD-logG0= -0.004886 tlogG= -0.023250 logG= -0.028137 Density= 0.213364 ETOT(band)= -0.233603 trlgG= -0.292489 logG= -0.028137 TDE= -0.170712 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.046428 logG= -0.057084 Density= 0.323781 ETOT(band)= -0.348881 trlgG= -0.437993 logG= -0.057084 TDE= -0.342017 logGD-logG0= -0.005272 tlogG= -0.023202 logG= -0.028474 Density= 0.214729 ETOT(band)= -0.232946 trlgG= -0.291488 logG= -0.028474 TDE= -0.170586 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.022912 logG= -0.027982 Density= 0.214659 ETOT(band)= -0.232391 trlgG= -0.289956 logG= -0.027982 TDE= -0.170399 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005519 tlogG= -0.023690 logG= -0.029209 Density= 0.215264 ETOT(band)= -0.233605 trlgG= -0.294125 logG= -0.029209 TDE= -0.171223 logGD-logG0= -0.005456 tlogG= -0.023963 logG= -0.029419 Density= 0.323443 ETOT(band)= -0.350650 trlgG= -0.442517 logG= -0.029419 TDE= -0.171449 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009889 tlogG= -0.046618 logG= -0.056507 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.048161 logG= -0.058513 Density= 0.429019 ETOT(band)= -0.468253 trlgG= -0.589156 logG= -0.058513 TDE= -0.342248 Density= 0.322496 ETOT(band)= -0.349001 trlgG= -0.436805 logG= -0.056507 TDE= -0.341546 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009849 tlogG= -0.047851 logG= -0.057701 Density= 0.427761 ETOT(band)= -0.468137 trlgG= -0.588383 logG= -0.057701 TDE= -0.342200 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.046619 logG= -0.056329 Density= 0.427823 ETOT(band)= -0.466832 trlgG= -0.584985 logG= -0.056329 TDE= -0.341570 logGD-logG0= -0.010462 tlogG= -0.047681 logG= -0.058144 Density= 0.428013 ETOT(band)= -0.468122 trlgG= -0.587715 logG= -0.058144 TDE= -0.341841 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.048235 logG= -0.058720 Density= 0.429752 ETOT(band)= -0.468258 trlgG= -0.589925 logG= -0.058720 TDE= -0.342461 logGD-logG0= -0.010695 tlogG= -0.048085 logG= -0.058780 Density= 0.429859 ETOT(band)= -0.468089 trlgG= -0.589597 logG= -0.058780 TDE= -0.342586 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010968 tlogG= -0.047704 logG= -0.058672 Density= 0.430803 ETOT(band)= -0.467457 trlgG= -0.589244 logG= -0.058672 TDE= -0.342710 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009810 tlogG= -0.047783 logG= -0.057593 logGD-logG0= -0.009856 tlogG= -0.047664 logG= -0.057520 Density= 0.426400 ETOT(band)= -0.468347 trlgG= -0.587512 logG= -0.057520 TDE= -0.341731 Density= 0.426904 ETOT(band)= -0.467897 trlgG= -0.586365 logG= -0.057593 TDE= -0.341433 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010862 tlogG= -0.047744 logG= -0.058606 logGD-logG0= -0.010024 tlogG= -0.047866 logG= -0.057891 Density= 0.428855 ETOT(band)= -0.467915 trlgG= -0.588360 logG= -0.057891 TDE= -0.342188 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430464 ETOT(band)= -0.467513 trlgG= -0.588884 logG= -0.058606 TDE= -0.342603 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010521 tlogG= -0.047970 logG= -0.058491 Density= 0.428923 ETOT(band)= -0.468214 trlgG= -0.588800 logG= -0.058491 TDE= -0.342086 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010522 tlogG= -0.046944 logG= -0.057467 Density= 0.429599 ETOT(band)= -0.466459 trlgG= -0.584755 logG= -0.057467 TDE= -0.341555 logGD-logG0= -0.010892 tlogG= -0.048029 logG= -0.058922 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431042 ETOT(band)= -0.467740 trlgG= -0.590239 logG= -0.058922 TDE= -0.342975 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010205 tlogG= -0.047572 logG= -0.057777 logGD-logG0= -0.004937 tlogG= -0.022334 logG= -0.027271 Density= 0.428330 ETOT(band)= -0.467465 trlgG= -0.586754 logG= -0.057777 TDE= -0.341886 Density= 0.322663 ETOT(band)= -0.347969 trlgG= -0.434414 logG= -0.027271 TDE= -0.170216 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001230 tlogG= -0.005309 logG= -0.006539 Density= 0.081502 ETOT(band)= -0.085685 trlgG= -0.106312 logG= -0.006539 TDE= -0.042454 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010921 tlogG= -0.047283 logG= -0.058204 Density= 0.430195 ETOT(band)= -0.467088 trlgG= -0.587411 logG= -0.058204 TDE= -0.342219 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010447 tlogG= -0.047584 logG= -0.058031 Density= 0.429726 ETOT(band)= -0.467107 trlgG= -0.586686 logG= -0.058031 TDE= -0.342000 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.022298 logG= -0.027349 Density= 0.214124 ETOT(band)= -0.232430 trlgG= -0.289707 logG= -0.027349 TDE= -0.170135 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005019 tlogG= -0.022479 logG= -0.027498 Density= 0.214884 ETOT(band)= -0.231655 trlgG= -0.288311 logG= -0.027498 TDE= -0.170148 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.021358 logG= -0.026450 Density= 0.216874 ETOT(band)= -0.229173 trlgG= -0.284552 logG= -0.026450 TDE= -0.169864 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.021213 logG= -0.026263 Density= 0.216202 ETOT(band)= -0.230033 trlgG= -0.285808 logG= -0.026263 TDE= -0.169771 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.809619227321 eV TrLogG= -407.547800303782 eV Ratio to renormalize= 1.000686168904 rho-rho_expected=-0.015085364788 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 68) Finished k-point number 138 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964594541157023 0.940266390925988 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004654 tlogG= -0.024054 logG= -0.028708 Density= 0.106322 ETOT(band)= -0.117150 trlgG= -0.146932 logG= -0.028708 TDE= -0.170838 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.022179 logG= -0.027238 Density= 0.108288 ETOT(band)= -0.115430 trlgG= -0.144093 logG= -0.027238 TDE= -0.170441 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023692 logG= -0.029088 Density= 0.107163 ETOT(band)= -0.117001 trlgG= -0.146982 logG= -0.029088 TDE= -0.170923 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023695 logG= -0.028512 Density= 0.106908 ETOT(band)= -0.116840 trlgG= -0.146621 logG= -0.028512 TDE= -0.171013 logGD-logG0= -0.005012 tlogG= -0.023902 logG= -0.028914 Density= 0.106690 ETOT(band)= -0.117112 trlgG= -0.147044 logG= -0.028914 TDE= -0.170925 logGD-logG0= -0.005218 tlogG= -0.022884 logG= -0.028102 Density= 0.107547 ETOT(band)= -0.116296 trlgG= -0.145475 logG= -0.028102 TDE= -0.170593 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.023206 logG= -0.028615 Density= 0.107613 ETOT(band)= -0.116544 trlgG= -0.146285 logG= -0.028615 TDE= -0.170923 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002657 tlogG= -0.012037 logG= -0.014693 Density= 0.053728 ETOT(band)= -0.058533 trlgG= -0.073753 logG= -0.014693 TDE= -0.085647 logGD-logG0= -0.004848 tlogG= -0.022860 logG= -0.027708 Density= 0.107229 ETOT(band)= -0.116235 trlgG= -0.145188 logG= -0.027708 TDE= -0.170542 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002379 tlogG= -0.011888 logG= -0.014267 Density= 0.053528 ETOT(band)= -0.058400 trlgG= -0.073333 logG= -0.014267 TDE= -0.085554 logGD-logG0= -0.000200 tlogG= -0.000853 logG= -0.001053 Density= 0.004540 ETOT(band)= -0.004733 trlgG= -0.005858 logG= -0.001053 TDE= -0.007052 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001522 tlogG= -0.007814 logG= -0.009336 Density= 0.035470 ETOT(band)= -0.038924 trlgG= -0.048651 logG= -0.009336 TDE= -0.056868 logGD-logG0= -0.001441 tlogG= -0.008047 logG= -0.009488 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002475 tlogG= -0.012086 logG= -0.014561 Density= 0.053550 ETOT(band)= -0.058544 trlgG= -0.073695 logG= -0.014561 TDE= -0.085634 Density= 0.035291 ETOT(band)= -0.039075 trlgG= -0.049016 logG= -0.009488 TDE= -0.056992 logGD-logG0= -0.002386 tlogG= -0.011452 logG= -0.013838 Density= 0.053702 ETOT(band)= -0.058069 trlgG= -0.072568 logG= -0.013838 TDE= -0.085305 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002612 tlogG= -0.011988 logG= -0.014601 logGD-logG0= -0.005258 tlogG= -0.023773 logG= -0.029030 Density= 0.054101 ETOT(band)= -0.058296 trlgG= -0.073617 logG= -0.014601 TDE= -0.085788 Density= 0.108105 ETOT(band)= -0.116542 trlgG= -0.146959 logG= -0.029030 TDE= -0.171425 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022467 logG= -0.027608 Density= 0.108132 ETOT(band)= -0.115736 trlgG= -0.144700 logG= -0.027608 TDE= -0.170601 logGD-logG0= -0.004431 tlogG= -0.024059 logG= -0.028489 Density= 0.106052 ETOT(band)= -0.117161 trlgG= -0.146922 logG= -0.028489 TDE= -0.170912 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004457 tlogG= -0.023982 logG= -0.028439 Density= 0.106104 ETOT(band)= -0.117117 trlgG= -0.146808 logG= -0.028439 TDE= -0.170875 logGD-logG0= -0.005388 tlogG= -0.024080 logG= -0.029468 Density= 0.107572 ETOT(band)= -0.117068 trlgG= -0.147652 logG= -0.029468 TDE= -0.171416 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.023959 logG= -0.029204 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108156 ETOT(band)= -0.116617 trlgG= -0.147238 logG= -0.029204 TDE= -0.171555 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.022992 logG= -0.028202 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108064 ETOT(band)= -0.116109 trlgG= -0.145648 logG= -0.028202 TDE= -0.170921 logGD-logG0= -0.002682 tlogG= -0.011992 logG= -0.014674 Density= 0.053947 ETOT(band)= -0.058417 trlgG= -0.073737 logG= -0.014674 TDE= -0.085759 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.023880 logG= -0.029112 Density= 0.108176 ETOT(band)= -0.116553 trlgG= -0.147089 logG= -0.029112 TDE= -0.171508 logGD-logG0= -0.005253 tlogG= -0.023439 logG= -0.028692 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023912 logG= -0.029331 logGD-logG0= -0.005431 tlogG= -0.024142 logG= -0.029572 logGD-logG0= -0.005338 tlogG= -0.023976 logG= -0.029314 Density= 0.107374 ETOT(band)= -0.117054 trlgG= -0.147378 logG= -0.029314 TDE= -0.171198 Density= 0.108059 ETOT(band)= -0.116380 trlgG= -0.146423 logG= -0.028692 TDE= -0.171204 Density= 0.107681 ETOT(band)= -0.116934 trlgG= -0.147437 logG= -0.029331 TDE= -0.171391 Density= 0.107740 ETOT(band)= -0.117064 trlgG= -0.147841 logG= -0.029572 TDE= -0.171584 logGD-logG0= -0.005106 tlogG= -0.023652 logG= -0.028758 Density= 0.106911 ETOT(band)= -0.116929 trlgG= -0.146431 logG= -0.028758 TDE= -0.170577 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023225 logG= -0.028428 Density= 0.108123 ETOT(band)= -0.116203 trlgG= -0.146004 logG= -0.028428 TDE= -0.171080 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.023614 logG= -0.028849 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.024101 logG= -0.029204 logGD-logG0= -0.004788 tlogG= -0.023677 logG= -0.028465 Density= 0.106531 ETOT(band)= -0.116956 trlgG= -0.146516 logG= -0.028465 TDE= -0.170768 Density= 0.108131 ETOT(band)= -0.116426 trlgG= -0.146668 logG= -0.028849 TDE= -0.171328 logGD-logG0= -0.004816 tlogG= -0.022997 logG= -0.027814 Density= 0.106806 ETOT(band)= -0.116487 trlgG= -0.145339 logG= -0.027814 TDE= -0.170378 Density= 0.107310 ETOT(band)= -0.117032 trlgG= -0.147274 logG= -0.029204 TDE= -0.171173 logGD-logG0= -0.005118 tlogG= -0.022417 logG= -0.027535 Density= 0.107566 ETOT(band)= -0.115962 trlgG= -0.144578 logG= -0.027535 TDE= -0.170272 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022859 logG= -0.027829 Density= 0.107678 ETOT(band)= -0.116091 trlgG= -0.145063 logG= -0.027829 TDE= -0.170519 logGD-logG0= -0.005137 tlogG= -0.022743 logG= -0.027881 logGD-logG0= -0.004938 tlogG= -0.023697 logG= -0.028635 Density= 0.108177 ETOT(band)= -0.115873 trlgG= -0.145137 logG= -0.027881 TDE= -0.170788 Density= 0.107310 ETOT(band)= -0.116721 trlgG= -0.146532 logG= -0.028635 TDE= -0.170999 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.024077 logG= -0.029067 Density= 0.106988 ETOT(band)= -0.117093 trlgG= -0.147299 logG= -0.029067 TDE= -0.171175 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.024096 logG= -0.029493 logGD-logG0= -0.005383 tlogG= -0.023879 logG= -0.029262 Density= 0.107816 ETOT(band)= -0.116976 trlgG= -0.147716 logG= -0.029493 TDE= -0.171576 Density= 0.107844 ETOT(band)= -0.116803 trlgG= -0.147331 logG= -0.029262 TDE= -0.171436 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010002 tlogG= -0.048261 logG= -0.058263 logGD-logG0= -0.002454 tlogG= -0.010431 logG= -0.012885 Density= 0.054342 ETOT(band)= -0.057073 trlgG= -0.070764 logG= -0.012885 TDE= -0.084770 Density= 0.214265 ETOT(band)= -0.234146 trlgG= -0.294674 logG= -0.058263 TDE= -0.342440 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.047176 logG= -0.057044 Density= 0.213633 ETOT(band)= -0.233737 trlgG= -0.293095 logG= -0.057044 TDE= -0.341768 logGD-logG0= -0.009326 tlogG= -0.047647 logG= -0.056973 logGD-logG0= -0.005420 tlogG= -0.023588 logG= -0.029008 Density= 0.107729 ETOT(band)= -0.116706 trlgG= -0.146915 logG= -0.029008 TDE= -0.171217 Density= 0.212794 ETOT(band)= -0.234035 trlgG= -0.293165 logG= -0.056973 TDE= -0.341493 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010148 tlogG= -0.047917 logG= -0.058066 logGD-logG0= -0.010723 tlogG= -0.047765 logG= -0.058488 Density= 0.214619 ETOT(band)= -0.234071 trlgG= -0.294508 logG= -0.058488 TDE= -0.342224 logGD-logG0= -0.009965 tlogG= -0.045607 logG= -0.055572 Density= 0.213834 ETOT(band)= -0.234183 trlgG= -0.294361 logG= -0.058066 TDE= -0.342111 logGD-logG0= -0.009755 tlogG= -0.047949 logG= -0.057703 Density= 0.213140 ETOT(band)= -0.234246 trlgG= -0.293811 logG= -0.057703 TDE= -0.341579 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214229 ETOT(band)= -0.232653 trlgG= -0.290455 logG= -0.055572 TDE= -0.340894 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010759 tlogG= -0.048034 logG= -0.058793 logGD-logG0= -0.009685 tlogG= -0.045778 logG= -0.055463 logGD-logG0= -0.009640 tlogG= -0.047465 logG= -0.057104 Density= 0.214176 ETOT(band)= -0.233569 trlgG= -0.293226 logG= -0.057104 TDE= -0.342107 logGD-logG0= -0.010678 tlogG= -0.048100 logG= -0.058778 logGD-logG0= -0.005372 tlogG= -0.024067 logG= -0.029439 Density= 0.214969 ETOT(band)= -0.234116 trlgG= -0.295047 logG= -0.058793 TDE= -0.342631 Density= 0.214932 ETOT(band)= -0.234125 trlgG= -0.295020 logG= -0.058778 TDE= -0.342601 Density= 0.107875 ETOT(band)= -0.116909 trlgG= -0.147627 logG= -0.029439 TDE= -0.171571 Density= 0.214882 ETOT(band)= -0.232304 trlgG= -0.290278 logG= -0.055463 TDE= -0.341150 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010526 tlogG= -0.047999 logG= -0.058525 Density= 0.214935 ETOT(band)= -0.233980 trlgG= -0.294603 logG= -0.058525 TDE= -0.342439 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010588 tlogG= -0.047805 logG= -0.058393 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214519 ETOT(band)= -0.234064 trlgG= -0.294339 logG= -0.058393 TDE= -0.342101 logGD-logG0= -0.010271 tlogG= -0.048047 logG= -0.058318 logGD-logG0= -0.001658 tlogG= -0.006995 logG= -0.008653 Density= 0.214395 ETOT(band)= -0.234093 trlgG= -0.294424 logG= -0.058318 TDE= -0.342199 logGD-logG0= -0.001726 tlogG= -0.007307 logG= -0.009033 Density= 0.035821 ETOT(band)= -0.038575 trlgG= -0.047955 logG= -0.009033 TDE= -0.056648 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036172 ETOT(band)= -0.038127 trlgG= -0.047294 logG= -0.008653 TDE= -0.056541 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010069 tlogG= -0.045668 logG= -0.055736 logGD-logG0= -0.010388 tlogG= -0.047678 logG= -0.058066 Density= 0.215013 ETOT(band)= -0.232380 trlgG= -0.290271 logG= -0.055736 TDE= -0.340934 Density= 0.213815 ETOT(band)= -0.234170 trlgG= -0.294113 logG= -0.058066 TDE= -0.341853 logGD-logG0= -0.010382 tlogG= -0.046432 logG= -0.056814 logGD-logG0= -0.010871 tlogG= -0.048166 logG= -0.059037 Density= 0.215078 ETOT(band)= -0.232943 trlgG= -0.291906 logG= -0.056814 TDE= -0.341524 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215284 ETOT(band)= -0.234142 trlgG= -0.295485 logG= -0.059037 TDE= -0.342981 logGD-logG0= -0.002515 tlogG= -0.010845 logG= -0.013361 Density= 0.054028 ETOT(band)= -0.057590 trlgG= -0.071610 logG= -0.013361 TDE= -0.084985 logGD-logG0= -0.010741 tlogG= -0.047959 logG= -0.058700 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215754 ETOT(band)= -0.233690 trlgG= -0.294955 logG= -0.058700 TDE= -0.343021 logGD-logG0= -0.010815 tlogG= -0.047546 logG= -0.058362 Density= 0.215559 ETOT(band)= -0.233573 trlgG= -0.294392 logG= -0.058362 TDE= -0.342700 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010613 tlogG= -0.047328 logG= -0.057941 Density= 0.214126 ETOT(band)= -0.233964 trlgG= -0.293589 logG= -0.057941 TDE= -0.341608 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010779 tlogG= -0.047442 logG= -0.058221 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215328 ETOT(band)= -0.233613 trlgG= -0.294152 logG= -0.058221 TDE= -0.342486 logGD-logG0= -0.010796 tlogG= -0.047908 logG= -0.058704 Density= 0.215627 ETOT(band)= -0.233762 trlgG= -0.294957 logG= -0.058704 TDE= -0.342956 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010821 tlogG= -0.046899 logG= -0.057720 Density= 0.215291 ETOT(band)= -0.233335 trlgG= -0.293351 logG= -0.057720 TDE= -0.342167 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.023213 logG= -0.027943 logGD-logG0= -0.010027 tlogG= -0.047173 logG= -0.057200 logGD-logG0= -0.009995 tlogG= -0.047242 logG= -0.057237 logGD-logG0= -0.010295 tlogG= -0.047171 logG= -0.057466 Density= 0.215013 ETOT(band)= -0.233345 trlgG= -0.292924 logG= -0.057466 TDE= -0.341857 Density= 0.214341 ETOT(band)= -0.233530 trlgG= -0.293000 logG= -0.057237 TDE= -0.341831 Density= 0.213644 ETOT(band)= -0.233782 trlgG= -0.292887 logG= -0.057200 TDE= -0.341409 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106670 ETOT(band)= -0.116618 trlgG= -0.145601 logG= -0.027943 TDE= -0.170444 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004842 tlogG= -0.023508 logG= -0.028351 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106707 ETOT(band)= -0.116810 trlgG= -0.146087 logG= -0.028351 TDE= -0.170540 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.021885 logG= -0.026978 Density= 0.108252 ETOT(band)= -0.115246 trlgG= -0.143643 logG= -0.026978 TDE= -0.170234 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005006 tlogG= -0.021574 logG= -0.026581 Density= 0.108442 ETOT(band)= -0.114879 trlgG= -0.142964 logG= -0.026581 TDE= -0.170046 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004925 tlogG= -0.020999 logG= -0.025924 Density= 0.108637 ETOT(band)= -0.114292 trlgG= -0.141807 logG= -0.025924 TDE= -0.169642 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005174 tlogG= -0.021827 logG= -0.027001 Density= 0.107720 ETOT(band)= -0.115534 trlgG= -0.143703 logG= -0.027001 TDE= -0.170008 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005115 tlogG= -0.021703 logG= -0.026818 Density= 0.107862 ETOT(band)= -0.115341 trlgG= -0.143394 logG= -0.026818 TDE= -0.169952 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010223 tlogG= -0.043408 logG= -0.053631 Density= 0.216137 ETOT(band)= -0.230472 trlgG= -0.286765 logG= -0.053631 TDE= -0.340090 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005182 tlogG= -0.023965 logG= -0.029147 Density= 0.214204 ETOT(band)= -0.234097 trlgG= -0.294197 logG= -0.029147 TDE= -0.171038 logGD-logG0= -0.004681 tlogG= -0.023981 logG= -0.028662 Density= 0.212677 ETOT(band)= -0.234271 trlgG= -0.293770 logG= -0.028662 TDE= -0.170805 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.023844 logG= -0.028783 Density= 0.213440 ETOT(band)= -0.234149 trlgG= -0.294024 logG= -0.028783 TDE= -0.171023 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.023379 logG= -0.028133 Density= 0.214049 ETOT(band)= -0.233374 trlgG= -0.292619 logG= -0.028133 TDE= -0.170883 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.022449 logG= -0.027668 Density= 0.216230 ETOT(band)= -0.231289 trlgG= -0.288888 logG= -0.027668 TDE= -0.170542 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023204 logG= -0.028476 Density= 0.214732 ETOT(band)= -0.232957 trlgG= -0.291503 logG= -0.028476 TDE= -0.170593 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005537 tlogG= -0.023365 logG= -0.028902 Density= 0.214969 ETOT(band)= -0.233357 trlgG= -0.292999 logG= -0.028902 TDE= -0.170937 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005750 logG= -0.007034 Density= 0.080585 ETOT(band)= -0.087398 trlgG= -0.109718 logG= -0.007034 TDE= -0.042740 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005622 logG= -0.006884 Density= 0.080786 ETOT(band)= -0.086969 trlgG= -0.108714 logG= -0.006884 TDE= -0.042664 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.023424 logG= -0.028734 Density= 0.216056 ETOT(band)= -0.232662 trlgG= -0.292491 logG= -0.028734 TDE= -0.171163 logGD-logG0= -0.004896 tlogG= -0.022335 logG= -0.027232 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214892 ETOT(band)= -0.231955 trlgG= -0.289371 logG= -0.027232 TDE= -0.170229 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005020 tlogG= -0.023892 logG= -0.028912 Density= 0.213654 ETOT(band)= -0.234010 trlgG= -0.293287 logG= -0.028912 TDE= -0.170767 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.023253 logG= -0.028138 Density= 0.213366 ETOT(band)= -0.233615 trlgG= -0.292505 logG= -0.028138 TDE= -0.170719 logGD-logG0= -0.005282 tlogG= -0.022977 logG= -0.028259 Density= 0.216085 ETOT(band)= -0.232088 trlgG= -0.290874 logG= -0.028259 TDE= -0.170876 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001303 tlogG= -0.005941 logG= -0.007244 Density= 0.080779 ETOT(band)= -0.087649 trlgG= -0.110471 logG= -0.007244 TDE= -0.042860 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.024015 logG= -0.028858 Density= 0.213986 ETOT(band)= -0.234088 trlgG= -0.294414 logG= -0.028858 TDE= -0.171205 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001298 tlogG= -0.005858 logG= -0.007156 Density= 0.080596 ETOT(band)= -0.087614 trlgG= -0.110273 logG= -0.007156 TDE= -0.042806 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001302 tlogG= -0.005986 logG= -0.007288 Density= 0.081007 ETOT(band)= -0.087552 trlgG= -0.110524 logG= -0.007288 TDE= -0.042890 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.024010 logG= -0.029338 Density= 0.215545 ETOT(band)= -0.233862 trlgG= -0.295111 logG= -0.029338 TDE= -0.171552 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001468 tlogG= -0.007968 logG= -0.009436 Density= 0.070823 ETOT(band)= -0.077949 trlgG= -0.097546 logG= -0.009436 TDE= -0.056953 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005361 tlogG= -0.023808 logG= -0.029169 Density= 0.215195 ETOT(band)= -0.233767 trlgG= -0.294457 logG= -0.029169 TDE= -0.171400 logGD-logG0= -0.005291 tlogG= -0.024008 logG= -0.029299 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216211 ETOT(band)= -0.233345 trlgG= -0.294636 logG= -0.029299 TDE= -0.171570 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005471 logG= -0.006720 Density= 0.081147 ETOT(band)= -0.086356 trlgG= -0.107477 logG= -0.006720 TDE= -0.042567 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004405 tlogG= -0.024139 logG= -0.028543 Density= 0.212042 ETOT(band)= -0.234372 trlgG= -0.293967 logG= -0.028543 TDE= -0.170951 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005354 tlogG= -0.023492 logG= -0.028846 Density= 0.215077 ETOT(band)= -0.233331 trlgG= -0.293192 logG= -0.028846 TDE= -0.171143 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010611 tlogG= -0.047804 logG= -0.058415 Density= 0.324136 ETOT(band)= -0.349922 trlgG= -0.441452 logG= -0.058415 TDE= -0.342980 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.023965 logG= -0.029249 Density= 0.216245 ETOT(band)= -0.233241 trlgG= -0.294404 logG= -0.029249 TDE= -0.171543 logGD-logG0= -0.004786 tlogG= -0.023376 logG= -0.028162 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321433 ETOT(band)= -0.350062 trlgG= -0.439187 logG= -0.028162 TDE= -0.170875 logGD-logG0= -0.004592 tlogG= -0.023594 logG= -0.028186 Density= 0.212489 ETOT(band)= -0.233992 trlgG= -0.293018 logG= -0.028186 TDE= -0.170668 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.024165 logG= -0.029287 Density= 0.214604 ETOT(band)= -0.234170 trlgG= -0.294813 logG= -0.029287 TDE= -0.171211 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005422 tlogG= -0.024130 logG= -0.029552 Density= 0.215578 ETOT(band)= -0.234018 trlgG= -0.295527 logG= -0.029552 TDE= -0.171584 logGD-logG0= -0.001212 tlogG= -0.005174 logG= -0.006385 Density= 0.062501 ETOT(band)= -0.067545 trlgG= -0.084290 logG= -0.006385 TDE= -0.042354 logGD-logG0= -0.005352 tlogG= -0.024093 logG= -0.029445 logGD-logG0= -0.010897 tlogG= -0.048059 logG= -0.058956 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323037 ETOT(band)= -0.350992 trlgG= -0.442795 logG= -0.058956 TDE= -0.342971 Density= 0.322852 ETOT(band)= -0.351200 trlgG= -0.443098 logG= -0.029445 TDE= -0.171398 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.024014 logG= -0.028890 logGD-logG0= -0.010379 tlogG= -0.045649 logG= -0.056028 Density= 0.323836 ETOT(band)= -0.347952 trlgG= -0.435395 logG= -0.056028 TDE= -0.341408 logGD-logG0= -0.005178 tlogG= -0.023854 logG= -0.029032 Density= 0.321362 ETOT(band)= -0.351111 trlgG= -0.441767 logG= -0.028890 TDE= -0.171200 Density= 0.215356 ETOT(band)= -0.233763 trlgG= -0.294560 logG= -0.029032 TDE= -0.171087 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.024171 logG= -0.029318 Density= 0.322233 ETOT(band)= -0.351227 trlgG= -0.442446 logG= -0.029318 TDE= -0.171206 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023771 logG= -0.029075 Density= 0.216135 ETOT(band)= -0.233043 trlgG= -0.293699 logG= -0.029075 TDE= -0.171402 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001615 tlogG= -0.006877 logG= -0.008492 Density= 0.040821 ETOT(band)= -0.042674 trlgG= -0.052852 logG= -0.008492 TDE= -0.056455 logGD-logG0= -0.005469 tlogG= -0.023907 logG= -0.029376 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215505 ETOT(band)= -0.233764 trlgG= -0.294839 logG= -0.029376 TDE= -0.171408 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.022914 logG= -0.027983 Density= 0.214662 ETOT(band)= -0.232402 trlgG= -0.289972 logG= -0.027983 TDE= -0.170406 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023254 logG= -0.028385 Density= 0.321499 ETOT(band)= -0.350570 trlgG= -0.440040 logG= -0.028385 TDE= -0.170830 logGD-logG0= -0.010654 tlogG= -0.046433 logG= -0.057087 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323786 ETOT(band)= -0.348897 trlgG= -0.438016 logG= -0.057087 TDE= -0.342031 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.046623 logG= -0.056510 Density= 0.322501 ETOT(band)= -0.349017 trlgG= -0.436828 logG= -0.056510 TDE= -0.341560 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.047253 logG= -0.057910 logGD-logG0= -0.005454 tlogG= -0.023966 logG= -0.029420 Density= 0.323449 ETOT(band)= -0.350666 trlgG= -0.442539 logG= -0.029420 TDE= -0.171456 logGD-logG0= -0.001606 tlogG= -0.007591 logG= -0.009197 Density= 0.071452 ETOT(band)= -0.077348 trlgG= -0.096248 logG= -0.009197 TDE= -0.056729 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323920 ETOT(band)= -0.349554 trlgG= -0.440103 logG= -0.057910 TDE= -0.342588 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009166 tlogG= -0.048112 logG= -0.057278 logGD-logG0= -0.009848 tlogG= -0.047856 logG= -0.057704 Density= 0.425273 ETOT(band)= -0.468340 trlgG= -0.587024 logG= -0.057278 TDE= -0.341726 logGD-logG0= -0.010351 tlogG= -0.048166 logG= -0.058517 Density= 0.429026 ETOT(band)= -0.468274 trlgG= -0.589187 logG= -0.058517 TDE= -0.342262 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427767 ETOT(band)= -0.468159 trlgG= -0.588414 logG= -0.057704 TDE= -0.342214 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005517 tlogG= -0.023693 logG= -0.029210 Density= 0.215268 ETOT(band)= -0.233616 trlgG= -0.294140 logG= -0.029210 TDE= -0.171231 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009654 tlogG= -0.046729 logG= -0.056383 logGD-logG0= -0.010484 tlogG= -0.048240 logG= -0.058723 Density= 0.429760 ETOT(band)= -0.468280 trlgG= -0.589956 logG= -0.058723 TDE= -0.342475 Density= 0.427626 ETOT(band)= -0.466130 trlgG= -0.582406 logG= -0.056383 TDE= -0.341168 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009708 tlogG= -0.046624 logG= -0.056332 Density= 0.427829 ETOT(band)= -0.466854 trlgG= -0.585016 logG= -0.056332 TDE= -0.341584 logGD-logG0= -0.010520 tlogG= -0.047974 logG= -0.058494 Density= 0.428930 ETOT(band)= -0.468236 trlgG= -0.588832 logG= -0.058494 TDE= -0.342100 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010461 tlogG= -0.047686 logG= -0.058147 logGD-logG0= -0.009856 tlogG= -0.047668 logG= -0.057524 Density= 0.428020 ETOT(band)= -0.468143 trlgG= -0.587746 logG= -0.058147 TDE= -0.341855 logGD-logG0= -0.005007 tlogG= -0.021311 logG= -0.026318 Density= 0.426406 ETOT(band)= -0.468370 trlgG= -0.587544 logG= -0.057524 TDE= -0.341745 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162541 ETOT(band)= -0.172990 trlgG= -0.216132 logG= -0.026318 TDE= -0.169858 logGD-logG0= -0.010693 tlogG= -0.048090 logG= -0.058783 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429866 ETOT(band)= -0.468110 trlgG= -0.589628 logG= -0.058783 TDE= -0.342601 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.047871 logG= -0.057894 Density= 0.428862 ETOT(band)= -0.467937 trlgG= -0.588390 logG= -0.057894 TDE= -0.342202 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010861 tlogG= -0.047748 logG= -0.058609 Density= 0.430471 ETOT(band)= -0.467534 trlgG= -0.588915 logG= -0.058609 TDE= -0.342618 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005310 logG= -0.006540 logGD-logG0= -0.010965 tlogG= -0.047710 logG= -0.058675 logGD-logG0= -0.010137 tlogG= -0.046418 logG= -0.056554 logGD-logG0= -0.010521 tlogG= -0.046949 logG= -0.057470 Density= 0.429606 ETOT(band)= -0.466480 trlgG= -0.584786 logG= -0.057470 TDE= -0.341569 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430811 ETOT(band)= -0.467478 trlgG= -0.589275 logG= -0.058675 TDE= -0.342725 Density= 0.429260 ETOT(band)= -0.465563 trlgG= -0.582085 logG= -0.056554 TDE= -0.341280 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081504 ETOT(band)= -0.085689 trlgG= -0.106318 logG= -0.006540 TDE= -0.042455 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010890 tlogG= -0.048035 logG= -0.058925 Density= 0.431050 ETOT(band)= -0.467761 trlgG= -0.590269 logG= -0.058925 TDE= -0.342989 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010204 tlogG= -0.047576 logG= -0.057780 Density= 0.428337 ETOT(band)= -0.467487 trlgG= -0.586785 logG= -0.057780 TDE= -0.341900 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010920 tlogG= -0.047287 logG= -0.058207 Density= 0.430203 ETOT(band)= -0.467109 trlgG= -0.587442 logG= -0.058207 TDE= -0.342234 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010446 tlogG= -0.047588 logG= -0.058034 Density= 0.429734 ETOT(band)= -0.467128 trlgG= -0.586717 logG= -0.058034 TDE= -0.342014 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.022336 logG= -0.027272 Density= 0.322667 ETOT(band)= -0.347985 trlgG= -0.434436 logG= -0.027272 TDE= -0.170223 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010170 tlogG= -0.044641 logG= -0.054810 Density= 0.324078 ETOT(band)= -0.346681 trlgG= -0.432383 logG= -0.054810 TDE= -0.340730 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001727 tlogG= -0.007120 logG= -0.008847 Density= 0.072183 ETOT(band)= -0.076481 trlgG= -0.094936 logG= -0.008847 TDE= -0.056615 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.022301 logG= -0.027350 Density= 0.214127 ETOT(band)= -0.232441 trlgG= -0.289723 logG= -0.027350 TDE= -0.170142 logGD-logG0= -0.009810 tlogG= -0.047787 logG= -0.057597 Density= 0.426910 ETOT(band)= -0.467920 trlgG= -0.586396 logG= -0.057597 TDE= -0.341447 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.023898 logG= -0.028605 Density= 0.213150 ETOT(band)= -0.233861 trlgG= -0.292775 logG= -0.028605 TDE= -0.170757 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.022481 logG= -0.027500 Density= 0.214887 ETOT(band)= -0.231665 trlgG= -0.288326 logG= -0.027500 TDE= -0.170155 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.023747 logG= -0.028284 Density= 0.212956 ETOT(band)= -0.233585 trlgG= -0.292043 logG= -0.028284 TDE= -0.170753 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005180 tlogG= -0.021889 logG= -0.027070 Density= 0.216485 ETOT(band)= -0.230291 trlgG= -0.286771 logG= -0.027070 TDE= -0.170203 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005090 tlogG= -0.021361 logG= -0.026451 Density= 0.216877 ETOT(band)= -0.229183 trlgG= -0.284566 logG= -0.026451 TDE= -0.169871 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005049 tlogG= -0.021216 logG= -0.026264 Density= 0.216205 ETOT(band)= -0.230043 trlgG= -0.285822 logG= -0.026264 TDE= -0.169777 logGD-logG0= -0.010019 tlogG= -0.044642 logG= -0.054662 Density= 0.431330 ETOT(band)= -0.462090 trlgG= -0.575304 logG= -0.054662 TDE= -0.340366 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.824534789130 eV TrLogG= -407.571567929501 eV Ratio to renormalize= 1.000669935945 rho-rho_expected=-0.014728723498 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964514528221474 0.940130146108202 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005062 tlogG= -0.022173 logG= -0.027235 Density= 0.108282 ETOT(band)= -0.115414 trlgG= -0.144071 logG= -0.027235 TDE= -0.170420 logGD-logG0= -0.005398 tlogG= -0.023686 logG= -0.029084 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107156 ETOT(band)= -0.116984 trlgG= -0.146958 logG= -0.029084 TDE= -0.170900 logGD-logG0= -0.005107 tlogG= -0.023647 logG= -0.028754 Density= 0.106905 ETOT(band)= -0.116912 trlgG= -0.146407 logG= -0.028754 TDE= -0.170555 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023897 logG= -0.028910 Density= 0.106684 ETOT(band)= -0.117094 trlgG= -0.147020 logG= -0.028910 TDE= -0.170903 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.022879 logG= -0.028099 Density= 0.107541 ETOT(band)= -0.116279 trlgG= -0.145452 logG= -0.028099 TDE= -0.170571 logGD-logG0= -0.004993 tlogG= -0.024070 logG= -0.029064 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106982 ETOT(band)= -0.117076 trlgG= -0.147275 logG= -0.029064 TDE= -0.171152 logGD-logG0= -0.004820 tlogG= -0.023688 logG= -0.028508 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106903 ETOT(band)= -0.116822 trlgG= -0.146598 logG= -0.028508 TDE= -0.170991 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.022854 logG= -0.027704 Density= 0.107224 ETOT(band)= -0.116218 trlgG= -0.145165 logG= -0.027704 TDE= -0.170520 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002476 tlogG= -0.012083 logG= -0.014559 Density= 0.053547 ETOT(band)= -0.058536 trlgG= -0.073684 logG= -0.014559 TDE= -0.085622 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002615 tlogG= -0.011985 logG= -0.014599 Density= 0.054097 ETOT(band)= -0.058289 trlgG= -0.073606 logG= -0.014599 TDE= -0.085777 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002387 tlogG= -0.011449 logG= -0.013836 logGD-logG0= -0.002381 tlogG= -0.011884 logG= -0.014265 Density= 0.053525 ETOT(band)= -0.058391 trlgG= -0.073321 logG= -0.014265 TDE= -0.085543 Density= 0.053700 ETOT(band)= -0.058061 trlgG= -0.072556 logG= -0.013836 TDE= -0.085294 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002658 tlogG= -0.012033 logG= -0.014691 Density= 0.053724 ETOT(band)= -0.058525 trlgG= -0.073741 logG= -0.014691 TDE= -0.085635 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023607 logG= -0.028846 Density= 0.108124 ETOT(band)= -0.116411 trlgG= -0.146646 logG= -0.028846 TDE= -0.171306 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000200 tlogG= -0.000853 logG= -0.001053 Density= 0.004540 ETOT(band)= -0.004732 trlgG= -0.005857 logG= -0.001053 TDE= -0.007051 logGD-logG0= -0.005341 tlogG= -0.023969 logG= -0.029310 Density= 0.107368 ETOT(band)= -0.117037 trlgG= -0.147354 logG= -0.029310 TDE= -0.171175 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001523 tlogG= -0.007812 logG= -0.009334 Density= 0.035469 ETOT(band)= -0.038918 trlgG= -0.048643 logG= -0.009334 TDE= -0.056861 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001442 tlogG= -0.008045 logG= -0.009487 Density= 0.035290 ETOT(band)= -0.039069 trlgG= -0.049008 logG= -0.009487 TDE= -0.056984 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004433 tlogG= -0.024052 logG= -0.028485 logGD-logG0= -0.005257 tlogG= -0.023432 logG= -0.028689 Density= 0.108052 ETOT(band)= -0.116364 trlgG= -0.146401 logG= -0.028689 TDE= -0.171182 logGD-logG0= -0.005145 tlogG= -0.022460 logG= -0.027605 Density= 0.108126 ETOT(band)= -0.115720 trlgG= -0.144679 logG= -0.027605 TDE= -0.170580 logGD-logG0= -0.005262 tlogG= -0.023765 logG= -0.029027 Density= 0.108098 ETOT(band)= -0.116527 trlgG= -0.146938 logG= -0.029027 TDE= -0.171403 Density= 0.106048 ETOT(band)= -0.117142 trlgG= -0.146897 logG= -0.028485 TDE= -0.170889 logGD-logG0= -0.004655 tlogG= -0.024048 logG= -0.028703 Density= 0.106318 ETOT(band)= -0.117132 trlgG= -0.146908 logG= -0.028703 TDE= -0.170816 logGD-logG0= -0.004459 tlogG= -0.023976 logG= -0.028435 Density= 0.106100 ETOT(band)= -0.117099 trlgG= -0.146783 logG= -0.028435 TDE= -0.170852 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023951 logG= -0.029201 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009329 tlogG= -0.047636 logG= -0.056965 Density= 0.108148 ETOT(band)= -0.116602 trlgG= -0.147216 logG= -0.029201 TDE= -0.171533 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212785 ETOT(band)= -0.233999 trlgG= -0.293116 logG= -0.056965 TDE= -0.341448 logGD-logG0= -0.004941 tlogG= -0.023690 logG= -0.028632 logGD-logG0= -0.005390 tlogG= -0.024074 logG= -0.029464 logGD-logG0= -0.005214 tlogG= -0.022985 logG= -0.028199 Density= 0.107304 ETOT(band)= -0.116705 trlgG= -0.146509 logG= -0.028632 TDE= -0.170977 Density= 0.108057 ETOT(band)= -0.116093 trlgG= -0.145626 logG= -0.028199 TDE= -0.170900 logGD-logG0= -0.004732 tlogG= -0.023207 logG= -0.027939 Density= 0.106666 ETOT(band)= -0.116601 trlgG= -0.145577 logG= -0.027939 TDE= -0.170421 logGD-logG0= -0.005402 tlogG= -0.024087 logG= -0.029489 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107809 ETOT(band)= -0.116961 trlgG= -0.147693 logG= -0.029489 TDE= -0.171553 Density= 0.107565 ETOT(band)= -0.117052 trlgG= -0.147629 logG= -0.029464 TDE= -0.171393 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047163 logG= -0.057192 Density= 0.213634 ETOT(band)= -0.233747 trlgG= -0.292840 logG= -0.057192 TDE= -0.341364 logGD-logG0= -0.002684 tlogG= -0.011988 logG= -0.014672 logGD-logG0= -0.005435 tlogG= -0.024133 logG= -0.029569 Density= 0.107733 ETOT(band)= -0.117048 trlgG= -0.147818 logG= -0.029569 TDE= -0.171561 logGD-logG0= -0.005422 tlogG= -0.023906 logG= -0.029328 Density= 0.107674 ETOT(band)= -0.116918 trlgG= -0.147414 logG= -0.029328 TDE= -0.171369 logGD-logG0= -0.005121 tlogG= -0.022411 logG= -0.027532 Density= 0.107560 ETOT(band)= -0.115945 trlgG= -0.144556 logG= -0.027532 TDE= -0.170250 logGD-logG0= -0.005207 tlogG= -0.023218 logG= -0.028425 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053943 ETOT(band)= -0.058409 trlgG= -0.073726 logG= -0.014672 TDE= -0.085748 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.022991 logG= -0.027810 Density= 0.106801 ETOT(band)= -0.116470 trlgG= -0.145315 logG= -0.027810 TDE= -0.170355 logGD-logG0= -0.004789 tlogG= -0.023671 logG= -0.028461 Density= 0.106527 ETOT(band)= -0.116938 trlgG= -0.146491 logG= -0.028461 TDE= -0.170745 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108116 ETOT(band)= -0.116187 trlgG= -0.145983 logG= -0.028425 TDE= -0.171058 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023503 logG= -0.028347 Density= 0.106702 ETOT(band)= -0.116792 trlgG= -0.146063 logG= -0.028347 TDE= -0.170518 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023873 logG= -0.029109 logGD-logG0= -0.004973 tlogG= -0.022852 logG= -0.027825 logGD-logG0= -0.005141 tlogG= -0.022736 logG= -0.027877 Density= 0.108169 ETOT(band)= -0.116537 trlgG= -0.147067 logG= -0.029109 TDE= -0.171485 Density= 0.108171 ETOT(band)= -0.115857 trlgG= -0.145115 logG= -0.027877 TDE= -0.170766 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107672 ETOT(band)= -0.116075 trlgG= -0.145041 logG= -0.027825 TDE= -0.170497 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.024095 logG= -0.029200 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005411 tlogG= -0.023200 logG= -0.028611 Density= 0.107304 ETOT(band)= -0.117016 trlgG= -0.147251 logG= -0.029200 TDE= -0.171151 Density= 0.107607 ETOT(band)= -0.116528 trlgG= -0.146263 logG= -0.028611 TDE= -0.170901 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.024059 logG= -0.029435 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107868 ETOT(band)= -0.116893 trlgG= -0.147605 logG= -0.029435 TDE= -0.171548 logGD-logG0= -0.005387 tlogG= -0.023871 logG= -0.029258 Density= 0.107837 ETOT(band)= -0.116787 trlgG= -0.147308 logG= -0.029258 TDE= -0.171413 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010008 tlogG= -0.048247 logG= -0.058255 Density= 0.214253 ETOT(band)= -0.234112 trlgG= -0.294627 logG= -0.058255 TDE= -0.342395 logGD-logG0= -0.005424 tlogG= -0.023580 logG= -0.029005 Density= 0.107722 ETOT(band)= -0.116690 trlgG= -0.146893 logG= -0.029005 TDE= -0.171194 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009691 tlogG= -0.045765 logG= -0.055456 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214871 ETOT(band)= -0.232271 trlgG= -0.290233 logG= -0.055456 TDE= -0.341106 logGD-logG0= -0.009874 tlogG= -0.047162 logG= -0.057036 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213623 ETOT(band)= -0.233703 trlgG= -0.293047 logG= -0.057036 TDE= -0.341722 logGD-logG0= -0.010154 tlogG= -0.047903 logG= -0.058058 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213823 ETOT(band)= -0.234149 trlgG= -0.294313 logG= -0.058058 TDE= -0.342066 logGD-logG0= -0.009971 tlogG= -0.045594 logG= -0.055565 Density= 0.214219 ETOT(band)= -0.232619 trlgG= -0.290408 logG= -0.055565 TDE= -0.340850 logGD-logG0= -0.010728 tlogG= -0.047752 logG= -0.058481 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214607 ETOT(band)= -0.234038 trlgG= -0.294461 logG= -0.058481 TDE= -0.342178 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009757 tlogG= -0.047938 logG= -0.057695 Density= 0.213130 ETOT(band)= -0.234210 trlgG= -0.293762 logG= -0.057695 TDE= -0.341534 logGD-logG0= -0.010683 tlogG= -0.048088 logG= -0.058771 logGD-logG0= -0.005097 tlogG= -0.021878 logG= -0.026975 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108246 ETOT(band)= -0.115230 trlgG= -0.143622 logG= -0.026975 TDE= -0.170213 logGD-logG0= -0.009646 tlogG= -0.047451 logG= -0.057097 Density= 0.214165 ETOT(band)= -0.233535 trlgG= -0.293179 logG= -0.057097 TDE= -0.342062 Density= 0.214919 ETOT(band)= -0.234092 trlgG= -0.294973 logG= -0.058771 TDE= -0.342555 logGD-logG0= -0.010531 tlogG= -0.047987 logG= -0.058517 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214922 ETOT(band)= -0.233947 trlgG= -0.294556 logG= -0.058517 TDE= -0.342393 logGD-logG0= -0.010750 tlogG= -0.047943 logG= -0.058694 logGD-logG0= -0.010593 tlogG= -0.047792 logG= -0.058385 Density= 0.215740 ETOT(band)= -0.233658 trlgG= -0.294911 logG= -0.058694 TDE= -0.342976 Density= 0.214506 ETOT(band)= -0.234031 trlgG= -0.294291 logG= -0.058385 TDE= -0.342055 logGD-logG0= -0.001660 tlogG= -0.006993 logG= -0.008652 Density= 0.036170 ETOT(band)= -0.038122 trlgG= -0.047288 logG= -0.008652 TDE= -0.056534 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010764 tlogG= -0.048022 logG= -0.058786 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010825 tlogG= -0.047530 logG= -0.058355 Density= 0.215545 ETOT(band)= -0.233541 trlgG= -0.294347 logG= -0.058355 TDE= -0.342655 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001726 tlogG= -0.007305 logG= -0.009032 Density= 0.035819 ETOT(band)= -0.038570 trlgG= -0.047947 logG= -0.009032 TDE= -0.056641 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214955 ETOT(band)= -0.234084 trlgG= -0.295000 logG= -0.058786 TDE= -0.342585 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010277 tlogG= -0.048034 logG= -0.058310 Density= 0.214383 ETOT(band)= -0.234059 trlgG= -0.294378 logG= -0.058310 TDE= -0.342154 logGD-logG0= -0.010876 tlogG= -0.048154 logG= -0.059030 logGD-logG0= -0.010074 tlogG= -0.045655 logG= -0.055729 Density= 0.215002 ETOT(band)= -0.232347 trlgG= -0.290226 logG= -0.055729 TDE= -0.340890 logGD-logG0= -0.010616 tlogG= -0.047318 logG= -0.057934 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215270 ETOT(band)= -0.234110 trlgG= -0.295439 logG= -0.059030 TDE= -0.342935 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214115 ETOT(band)= -0.233930 trlgG= -0.293542 logG= -0.057934 TDE= -0.341563 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010391 tlogG= -0.047667 logG= -0.058058 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213803 ETOT(band)= -0.234136 trlgG= -0.294066 logG= -0.058058 TDE= -0.341808 logGD-logG0= -0.010805 tlogG= -0.047892 logG= -0.058697 Density= 0.215612 ETOT(band)= -0.233730 trlgG= -0.294912 logG= -0.058697 TDE= -0.342911 logGD-logG0= -0.002517 tlogG= -0.010842 logG= -0.013359 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054025 ETOT(band)= -0.057582 trlgG= -0.071599 logG= -0.013359 TDE= -0.084974 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010387 tlogG= -0.046420 logG= -0.056807 logGD-logG0= -0.010783 tlogG= -0.047431 logG= -0.058214 Density= 0.215066 ETOT(band)= -0.232911 trlgG= -0.291860 logG= -0.056807 TDE= -0.341479 Density= 0.215315 ETOT(band)= -0.233580 trlgG= -0.294106 logG= -0.058214 TDE= -0.342440 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010000 tlogG= -0.047229 logG= -0.057229 logGD-logG0= -0.010825 tlogG= -0.046888 logG= -0.057713 Density= 0.214330 ETOT(band)= -0.233497 trlgG= -0.292954 logG= -0.057229 TDE= -0.341786 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215277 ETOT(band)= -0.233303 trlgG= -0.293305 logG= -0.057713 TDE= -0.342122 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010300 tlogG= -0.047159 logG= -0.057459 Density= 0.215001 ETOT(band)= -0.233313 trlgG= -0.292878 logG= -0.057459 TDE= -0.341812 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.043395 logG= -0.053625 Density= 0.216125 ETOT(band)= -0.230441 trlgG= -0.286722 logG= -0.053625 TDE= -0.340047 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.021568 logG= -0.026578 Density= 0.108436 ETOT(band)= -0.114864 trlgG= -0.142943 logG= -0.026578 TDE= -0.170024 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.020993 logG= -0.025922 Density= 0.108631 ETOT(band)= -0.114276 trlgG= -0.141787 logG= -0.025922 TDE= -0.169621 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005177 tlogG= -0.021820 logG= -0.026998 Density= 0.107714 ETOT(band)= -0.115517 trlgG= -0.143682 logG= -0.026998 TDE= -0.169986 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005118 tlogG= -0.021697 logG= -0.026815 Density= 0.107856 ETOT(band)= -0.115325 trlgG= -0.143372 logG= -0.026815 TDE= -0.169930 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002456 tlogG= -0.010428 logG= -0.012884 Density= 0.054338 ETOT(band)= -0.057065 trlgG= -0.070754 logG= -0.012884 TDE= -0.084759 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005184 tlogG= -0.023959 logG= -0.029143 Density= 0.214192 ETOT(band)= -0.234064 trlgG= -0.294150 logG= -0.029143 TDE= -0.171015 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.023887 logG= -0.028908 Density= 0.213643 ETOT(band)= -0.233976 trlgG= -0.293239 logG= -0.028908 TDE= -0.170744 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.023837 logG= -0.028779 Density= 0.213429 ETOT(band)= -0.234114 trlgG= -0.293976 logG= -0.028779 TDE= -0.171000 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.024008 logG= -0.028854 Density= 0.213974 ETOT(band)= -0.234053 trlgG= -0.294367 logG= -0.028854 TDE= -0.171182 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023199 logG= -0.028472 logGD-logG0= -0.004757 tlogG= -0.023372 logG= -0.028130 Density= 0.214038 ETOT(band)= -0.233339 trlgG= -0.292572 logG= -0.028130 TDE= -0.170860 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214720 ETOT(band)= -0.232924 trlgG= -0.291457 logG= -0.028472 TDE= -0.170570 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.022443 logG= -0.027665 Density= 0.216217 ETOT(band)= -0.231258 trlgG= -0.288845 logG= -0.027665 TDE= -0.170521 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004899 tlogG= -0.022329 logG= -0.027228 Density= 0.214882 ETOT(band)= -0.231922 trlgG= -0.289325 logG= -0.027228 TDE= -0.170207 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001299 tlogG= -0.005856 logG= -0.007155 Density= 0.080592 ETOT(band)= -0.087601 trlgG= -0.110256 logG= -0.007155 TDE= -0.042800 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001468 tlogG= -0.007966 logG= -0.009434 Density= 0.070821 ETOT(band)= -0.077937 trlgG= -0.097529 logG= -0.009434 TDE= -0.056946 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001285 tlogG= -0.005748 logG= -0.007033 logGD-logG0= -0.004407 tlogG= -0.024132 logG= -0.028539 Density= 0.212034 ETOT(band)= -0.234335 trlgG= -0.293917 logG= -0.028539 TDE= -0.170928 Density= 0.080580 ETOT(band)= -0.087386 trlgG= -0.109701 logG= -0.007033 TDE= -0.042735 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023763 logG= -0.029071 Density= 0.216121 ETOT(band)= -0.233012 trlgG= -0.293655 logG= -0.029071 TDE= -0.171380 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001264 tlogG= -0.005620 logG= -0.006884 Density= 0.080781 ETOT(band)= -0.086957 trlgG= -0.108698 logG= -0.006884 TDE= -0.042659 logGD-logG0= -0.001304 tlogG= -0.005939 logG= -0.007244 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080774 ETOT(band)= -0.087637 trlgG= -0.110454 logG= -0.007244 TDE= -0.042854 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004594 tlogG= -0.023588 logG= -0.028182 logGD-logG0= -0.004539 tlogG= -0.023741 logG= -0.028280 Density= 0.212947 ETOT(band)= -0.233549 trlgG= -0.291994 logG= -0.028280 TDE= -0.170731 Density= 0.212480 ETOT(band)= -0.233955 trlgG= -0.292969 logG= -0.028182 TDE= -0.170646 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.023892 logG= -0.028601 Density= 0.213140 ETOT(band)= -0.233826 trlgG= -0.292728 logG= -0.028601 TDE= -0.170735 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.024159 logG= -0.029283 logGD-logG0= -0.001212 tlogG= -0.005172 logG= -0.006385 Density= 0.062498 ETOT(band)= -0.067535 trlgG= -0.084277 logG= -0.006385 TDE= -0.042349 Density= 0.214591 ETOT(band)= -0.234137 trlgG= -0.294767 logG= -0.029283 TDE= -0.171188 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.022908 logG= -0.027980 Density= 0.214651 ETOT(band)= -0.232368 trlgG= -0.289926 logG= -0.027980 TDE= -0.170384 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009169 tlogG= -0.048100 logG= -0.057269 logGD-logG0= -0.005011 tlogG= -0.021305 logG= -0.026316 Density= 0.162531 ETOT(band)= -0.172967 trlgG= -0.216100 logG= -0.026316 TDE= -0.169837 logGD-logG0= -0.001303 tlogG= -0.005984 logG= -0.007287 Density= 0.081001 ETOT(band)= -0.087541 trlgG= -0.110508 logG= -0.007287 TDE= -0.042884 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.425255 ETOT(band)= -0.468267 trlgG= -0.586927 logG= -0.057269 TDE= -0.341682 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.024002 logG= -0.029334 Density= 0.215531 ETOT(band)= -0.233830 trlgG= -0.295066 logG= -0.029334 TDE= -0.171530 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005356 tlogG= -0.023487 logG= -0.028843 Density= 0.215064 ETOT(band)= -0.233298 trlgG= -0.293147 logG= -0.028843 TDE= -0.171121 logGD-logG0= -0.001607 tlogG= -0.007589 logG= -0.009196 Density= 0.071449 ETOT(band)= -0.077336 trlgG= -0.096233 logG= -0.009196 TDE= -0.056721 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001616 tlogG= -0.006875 logG= -0.008491 Density= 0.040818 ETOT(band)= -0.042669 trlgG= -0.052844 logG= -0.008491 TDE= -0.056448 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005366 tlogG= -0.023800 logG= -0.029166 Density= 0.215181 ETOT(band)= -0.233735 trlgG= -0.294412 logG= -0.029166 TDE= -0.171377 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009812 tlogG= -0.047777 logG= -0.057588 Density= 0.426889 ETOT(band)= -0.467850 trlgG= -0.586300 logG= -0.057588 TDE= -0.341402 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005180 tlogG= -0.023848 logG= -0.029028 Density= 0.215342 ETOT(band)= -0.233731 trlgG= -0.294514 logG= -0.029028 TDE= -0.171065 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.024008 logG= -0.028886 logGD-logG0= -0.005296 tlogG= -0.024001 logG= -0.029296 Density= 0.321344 ETOT(band)= -0.351061 trlgG= -0.441697 logG= -0.028886 TDE= -0.171177 Density= 0.216196 ETOT(band)= -0.233314 trlgG= -0.294592 logG= -0.029296 TDE= -0.171548 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.023958 logG= -0.029246 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005426 tlogG= -0.024122 logG= -0.029549 Density= 0.216230 ETOT(band)= -0.233210 trlgG= -0.294360 logG= -0.029246 TDE= -0.171521 Density= 0.215563 ETOT(band)= -0.233986 trlgG= -0.295481 logG= -0.029549 TDE= -0.171561 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004683 tlogG= -0.023975 logG= -0.028658 Density= 0.212668 ETOT(band)= -0.234235 trlgG= -0.293721 logG= -0.028658 TDE= -0.170783 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005474 tlogG= -0.023898 logG= -0.029372 Density= 0.215491 ETOT(band)= -0.233732 trlgG= -0.294794 logG= -0.029372 TDE= -0.171385 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.024164 logG= -0.029315 Density= 0.322213 ETOT(band)= -0.351177 trlgG= -0.442377 logG= -0.029315 TDE= -0.171184 logGD-logG0= -0.010620 tlogG= -0.047788 logG= -0.058409 Density= 0.324114 ETOT(band)= -0.349876 trlgG= -0.441386 logG= -0.058409 TDE= -0.342935 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010903 tlogG= -0.048045 logG= -0.058948 Density= 0.323016 ETOT(band)= -0.350944 trlgG= -0.442726 logG= -0.058948 TDE= -0.342926 logGD-logG0= -0.010175 tlogG= -0.044629 logG= -0.054804 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324059 ETOT(band)= -0.346634 trlgG= -0.432318 logG= -0.054804 TDE= -0.340687 logGD-logG0= -0.005354 tlogG= -0.024088 logG= -0.029442 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322831 ETOT(band)= -0.351152 trlgG= -0.443028 logG= -0.029442 TDE= -0.171375 logGD-logG0= -0.010666 tlogG= -0.047238 logG= -0.057904 logGD-logG0= -0.005314 tlogG= -0.023416 logG= -0.028731 Density= 0.216043 ETOT(band)= -0.232631 trlgG= -0.292447 logG= -0.028731 TDE= -0.171141 Density= 0.323899 ETOT(band)= -0.349507 trlgG= -0.440037 logG= -0.057904 TDE= -0.342543 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010383 tlogG= -0.045638 logG= -0.056021 logGD-logG0= -0.005522 tlogG= -0.023685 logG= -0.029206 logGD-logG0= -0.004889 tlogG= -0.023246 logG= -0.028134 Density= 0.215255 ETOT(band)= -0.233584 trlgG= -0.294095 logG= -0.029206 TDE= -0.171208 logGD-logG0= -0.005286 tlogG= -0.022970 logG= -0.028256 Density= 0.216072 ETOT(band)= -0.232056 trlgG= -0.290831 logG= -0.028256 TDE= -0.170855 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323817 ETOT(band)= -0.347904 trlgG= -0.435329 logG= -0.056021 TDE= -0.341364 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213357 ETOT(band)= -0.233579 trlgG= -0.292457 logG= -0.028134 TDE= -0.170696 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005459 tlogG= -0.023958 logG= -0.029417 Density= 0.323427 ETOT(band)= -0.350618 trlgG= -0.442472 logG= -0.029417 TDE= -0.171434 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009893 tlogG= -0.046610 logG= -0.056503 logGD-logG0= -0.009657 tlogG= -0.046718 logG= -0.056375 Density= 0.427607 ETOT(band)= -0.466061 trlgG= -0.582311 logG= -0.056375 TDE= -0.341122 Density= 0.322483 ETOT(band)= -0.348968 trlgG= -0.436760 logG= -0.056503 TDE= -0.341516 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004789 tlogG= -0.023369 logG= -0.028158 Density= 0.321417 ETOT(band)= -0.350011 trlgG= -0.439117 logG= -0.028158 TDE= -0.170853 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001728 tlogG= -0.007118 logG= -0.008846 logGD-logG0= -0.005134 tlogG= -0.023248 logG= -0.028382 Density= 0.072179 ETOT(band)= -0.076471 trlgG= -0.094922 logG= -0.008846 TDE= -0.056608 Density= 0.321481 ETOT(band)= -0.350519 trlgG= -0.439971 logG= -0.028382 TDE= -0.170807 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009858 tlogG= -0.047658 logG= -0.057515 Density= 0.426386 ETOT(band)= -0.468299 trlgG= -0.587447 logG= -0.057515 TDE= -0.341699 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010662 tlogG= -0.046418 logG= -0.057080 logGD-logG0= -0.005053 tlogG= -0.022294 logG= -0.027347 Density= 0.214117 ETOT(band)= -0.232407 trlgG= -0.289676 logG= -0.027347 TDE= -0.170119 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323766 ETOT(band)= -0.348849 trlgG= -0.437949 logG= -0.057080 TDE= -0.341987 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005539 tlogG= -0.023359 logG= -0.028898 Density= 0.214956 ETOT(band)= -0.233325 trlgG= -0.292953 logG= -0.028898 TDE= -0.170914 logGD-logG0= -0.010142 tlogG= -0.046405 logG= -0.056547 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429238 ETOT(band)= -0.465496 trlgG= -0.581994 logG= -0.056547 TDE= -0.341236 logGD-logG0= -0.009854 tlogG= -0.047842 logG= -0.057696 Density= 0.427745 ETOT(band)= -0.468090 trlgG= -0.588319 logG= -0.057696 TDE= -0.342169 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010356 tlogG= -0.048153 logG= -0.058509 Density= 0.429001 ETOT(band)= -0.468208 trlgG= -0.589094 logG= -0.058509 TDE= -0.342217 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010525 tlogG= -0.047961 logG= -0.058486 logGD-logG0= -0.009714 tlogG= -0.046611 logG= -0.056325 Density= 0.428905 ETOT(band)= -0.468169 trlgG= -0.588737 logG= -0.058486 TDE= -0.342055 Density= 0.427808 ETOT(band)= -0.466785 trlgG= -0.584922 logG= -0.056325 TDE= -0.341539 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.022475 logG= -0.027496 Density= 0.214877 ETOT(band)= -0.231632 trlgG= -0.288281 logG= -0.027496 TDE= -0.170133 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.047674 logG= -0.058139 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427997 ETOT(band)= -0.468075 trlgG= -0.587652 logG= -0.058139 TDE= -0.341810 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010974 tlogG= -0.047694 logG= -0.058668 logGD-logG0= -0.010489 tlogG= -0.048227 logG= -0.058716 Density= 0.430783 ETOT(band)= -0.467414 trlgG= -0.589184 logG= -0.058668 TDE= -0.342679 Density= 0.429733 ETOT(band)= -0.468214 trlgG= -0.589862 logG= -0.058716 TDE= -0.342429 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010698 tlogG= -0.048077 logG= -0.058775 logGD-logG0= -0.010028 tlogG= -0.047858 logG= -0.057886 Density= 0.428838 ETOT(band)= -0.467870 trlgG= -0.588298 logG= -0.057886 TDE= -0.342158 Density= 0.429840 ETOT(band)= -0.468044 trlgG= -0.589534 logG= -0.058775 TDE= -0.342555 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010899 tlogG= -0.048019 logG= -0.058918 Density= 0.431022 ETOT(band)= -0.467697 trlgG= -0.590178 logG= -0.058918 TDE= -0.342944 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010865 tlogG= -0.047737 logG= -0.058602 Density= 0.430444 ETOT(band)= -0.467470 trlgG= -0.588823 logG= -0.058602 TDE= -0.342572 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010209 tlogG= -0.047563 logG= -0.057772 Density= 0.428314 ETOT(band)= -0.467419 trlgG= -0.586692 logG= -0.057772 TDE= -0.341856 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.022330 logG= -0.027269 Density= 0.322651 ETOT(band)= -0.347936 trlgG= -0.434368 logG= -0.027269 TDE= -0.170201 logGD-logG0= -0.010526 tlogG= -0.046936 logG= -0.057462 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429581 ETOT(band)= -0.466415 trlgG= -0.584693 logG= -0.057462 TDE= -0.341524 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010924 tlogG= -0.047275 logG= -0.058200 Density= 0.430177 ETOT(band)= -0.467044 trlgG= -0.587350 logG= -0.058200 TDE= -0.342188 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.021883 logG= -0.027067 Density= 0.216473 ETOT(band)= -0.230260 trlgG= -0.286729 logG= -0.027067 TDE= -0.170181 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010451 tlogG= -0.047576 logG= -0.058027 Density= 0.429709 ETOT(band)= -0.467063 trlgG= -0.586624 logG= -0.058027 TDE= -0.341968 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005469 logG= -0.006719 Density= 0.081143 ETOT(band)= -0.086345 trlgG= -0.107461 logG= -0.006719 TDE= -0.042561 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005094 tlogG= -0.021354 logG= -0.026448 Density= 0.216865 ETOT(band)= -0.229152 trlgG= -0.284525 logG= -0.026448 TDE= -0.169850 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010026 tlogG= -0.044630 logG= -0.054655 Density= 0.431307 ETOT(band)= -0.462025 trlgG= -0.575216 logG= -0.054655 TDE= -0.340322 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005052 tlogG= -0.021209 logG= -0.026262 Density= 0.216194 ETOT(band)= -0.230011 trlgG= -0.285780 logG= -0.026262 TDE= -0.169756 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001231 tlogG= -0.005308 logG= -0.006539 Density= 0.081499 ETOT(band)= -0.085678 trlgG= -0.106303 logG= -0.006539 TDE= -0.042450 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.778433197251 eV TrLogG= -407.499174063052 eV Ratio to renormalize= 1.000726427346 rho-rho_expected=-0.015969800722 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964613684600921 0.940328189552626 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002384 tlogG= -0.011455 logG= -0.013839 logGD-logG0= -0.001521 tlogG= -0.007815 logG= -0.009337 Density= 0.035472 ETOT(band)= -0.038929 trlgG= -0.048659 logG= -0.009337 TDE= -0.056875 Density= 0.053705 ETOT(band)= -0.058076 trlgG= -0.072578 logG= -0.013839 TDE= -0.085314 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004429 tlogG= -0.024064 logG= -0.028493 logGD-logG0= -0.004456 tlogG= -0.023987 logG= -0.028443 Density= 0.106107 ETOT(band)= -0.117133 trlgG= -0.146830 logG= -0.028443 TDE= -0.170894 Density= 0.106056 ETOT(band)= -0.117177 trlgG= -0.146943 logG= -0.028493 TDE= -0.170932 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004814 tlogG= -0.023002 logG= -0.027817 Density= 0.106810 ETOT(band)= -0.116502 trlgG= -0.145359 logG= -0.027817 TDE= -0.170397 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005200 tlogG= -0.023231 logG= -0.028431 Density= 0.108129 ETOT(band)= -0.116216 trlgG= -0.146023 logG= -0.028431 TDE= -0.171099 logGD-logG0= -0.004787 tlogG= -0.023682 logG= -0.028468 Density= 0.106535 ETOT(band)= -0.116972 trlgG= -0.146537 logG= -0.028468 TDE= -0.170788 logGD-logG0= -0.005134 tlogG= -0.022749 logG= -0.027883 Density= 0.108183 ETOT(band)= -0.115886 trlgG= -0.145155 logG= -0.027883 TDE= -0.170806 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.022889 logG= -0.028105 Density= 0.107552 ETOT(band)= -0.116310 trlgG= -0.145495 logG= -0.028105 TDE= -0.170612 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.023906 logG= -0.028917 Density= 0.106694 ETOT(band)= -0.117127 trlgG= -0.147065 logG= -0.028917 TDE= -0.170945 logGD-logG0= -0.005116 tlogG= -0.022422 logG= -0.027538 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107571 ETOT(band)= -0.115976 trlgG= -0.144598 logG= -0.027538 TDE= -0.170291 logGD-logG0= -0.004988 tlogG= -0.024083 logG= -0.029071 Density= 0.106993 ETOT(band)= -0.117108 trlgG= -0.147320 logG= -0.029071 TDE= -0.171194 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004841 tlogG= -0.023513 logG= -0.028354 Density= 0.106711 ETOT(band)= -0.116825 trlgG= -0.146107 logG= -0.028354 TDE= -0.170559 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002514 tlogG= -0.010848 logG= -0.013362 Density= 0.054030 ETOT(band)= -0.057597 trlgG= -0.071619 logG= -0.013362 TDE= -0.084994 logGD-logG0= -0.002452 tlogG= -0.010434 logG= -0.012886 Density= 0.054344 ETOT(band)= -0.057079 trlgG= -0.070772 logG= -0.012886 TDE= -0.084779 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004922 tlogG= -0.021005 logG= -0.025926 Density= 0.108643 ETOT(band)= -0.114305 trlgG= -0.141824 logG= -0.025926 TDE= -0.169660 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005386 tlogG= -0.024086 logG= -0.029471 Density= 0.107578 ETOT(band)= -0.117082 trlgG= -0.147672 logG= -0.029471 TDE= -0.171436 logGD-logG0= -0.004936 tlogG= -0.023702 logG= -0.028638 Density= 0.107315 ETOT(band)= -0.116736 trlgG= -0.146551 logG= -0.028638 TDE= -0.171018 logGD-logG0= -0.005241 tlogG= -0.023966 logG= -0.029207 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.022864 logG= -0.027832 Density= 0.108162 ETOT(band)= -0.116630 trlgG= -0.147256 logG= -0.029207 TDE= -0.171574 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107683 ETOT(band)= -0.116105 trlgG= -0.145082 logG= -0.027832 TDE= -0.170538 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.024107 logG= -0.029207 Density= 0.107316 ETOT(band)= -0.117047 trlgG= -0.147294 logG= -0.029207 TDE= -0.171192 logGD-logG0= -0.005418 tlogG= -0.023917 logG= -0.029334 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107687 ETOT(band)= -0.116948 trlgG= -0.147456 logG= -0.029334 TDE= -0.171411 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005368 tlogG= -0.024074 logG= -0.029442 Density= 0.107882 ETOT(band)= -0.116923 trlgG= -0.147647 logG= -0.029442 TDE= -0.171590 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.047816 logG= -0.058399 Density= 0.214530 ETOT(band)= -0.234093 trlgG= -0.294380 logG= -0.058399 TDE= -0.342141 logGD-logG0= -0.010755 tlogG= -0.048045 logG= -0.058800 logGD-logG0= -0.010267 tlogG= -0.048058 logG= -0.058325 Density= 0.214406 ETOT(band)= -0.234122 trlgG= -0.294463 logG= -0.058325 TDE= -0.342237 Density= 0.214980 ETOT(band)= -0.234144 trlgG= -0.295087 logG= -0.058800 TDE= -0.342671 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010522 tlogG= -0.048009 logG= -0.058531 Density= 0.214946 ETOT(band)= -0.234008 trlgG= -0.294644 logG= -0.058531 TDE= -0.342479 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010384 tlogG= -0.047689 logG= -0.058073 Density= 0.213824 ETOT(band)= -0.234200 trlgG= -0.294154 logG= -0.058073 TDE= -0.341892 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010776 tlogG= -0.047452 logG= -0.058227 logGD-logG0= -0.002378 tlogG= -0.011891 logG= -0.014269 Density= 0.215340 ETOT(band)= -0.233640 trlgG= -0.294191 logG= -0.058227 TDE= -0.342525 logGD-logG0= -0.010788 tlogG= -0.047921 logG= -0.058710 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053530 ETOT(band)= -0.058407 trlgG= -0.073343 logG= -0.014269 TDE= -0.085564 Density= 0.215639 ETOT(band)= -0.233789 trlgG= -0.294996 logG= -0.058710 TDE= -0.342995 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009990 tlogG= -0.047253 logG= -0.057243 Density= 0.214351 ETOT(band)= -0.233560 trlgG= -0.293040 logG= -0.057243 TDE= -0.341869 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010290 tlogG= -0.047182 logG= -0.057472 Density= 0.215024 ETOT(band)= -0.233373 trlgG= -0.292963 logG= -0.057472 TDE= -0.341896 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004652 tlogG= -0.024059 logG= -0.028711 Density= 0.106326 ETOT(band)= -0.117166 trlgG= -0.146953 logG= -0.028711 TDE= -0.170857 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.022185 logG= -0.027240 Density= 0.108293 ETOT(band)= -0.115443 trlgG= -0.144111 logG= -0.027240 TDE= -0.170459 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005393 tlogG= -0.023698 logG= -0.029091 Density= 0.107168 ETOT(band)= -0.117016 trlgG= -0.147002 logG= -0.029091 TDE= -0.170943 logGD-logG0= -0.005105 tlogG= -0.023656 logG= -0.028761 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106915 ETOT(band)= -0.116944 trlgG= -0.146452 logG= -0.028761 TDE= -0.170597 logGD-logG0= -0.004814 tlogG= -0.023701 logG= -0.028515 Density= 0.106913 ETOT(band)= -0.116855 trlgG= -0.146642 logG= -0.028515 TDE= -0.171033 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005407 tlogG= -0.023211 logG= -0.028618 Density= 0.107619 ETOT(band)= -0.116558 trlgG= -0.146305 logG= -0.028618 TDE= -0.170942 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.022866 logG= -0.027711 Density= 0.107234 ETOT(band)= -0.116249 trlgG= -0.145208 logG= -0.027711 TDE= -0.170562 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000200 tlogG= -0.000853 logG= -0.001053 Density= 0.004540 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002656 tlogG= -0.012039 logG= -0.014695 Density= 0.053731 ETOT(band)= -0.058541 trlgG= -0.073763 logG= -0.014695 TDE= -0.085657 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002474 tlogG= -0.012089 logG= -0.014563 Density= 0.053552 ETOT(band)= -0.058552 trlgG= -0.073705 logG= -0.014563 TDE= -0.085643 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001441 tlogG= -0.008049 logG= -0.009489 Density= 0.035293 ETOT(band)= -0.039080 trlgG= -0.049023 logG= -0.009489 TDE= -0.056998 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023779 logG= -0.029033 Density= 0.108112 ETOT(band)= -0.116555 trlgG= -0.146978 logG= -0.029033 TDE= -0.171444 logGD-logG0= -0.002611 tlogG= -0.011992 logG= -0.014602 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054104 ETOT(band)= -0.058303 trlgG= -0.073626 logG= -0.014602 TDE= -0.085797 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.022473 logG= -0.027611 Density= 0.108138 ETOT(band)= -0.115749 trlgG= -0.144719 logG= -0.027611 TDE= -0.170620 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.023218 logG= -0.027946 Density= 0.106674 ETOT(band)= -0.116634 trlgG= -0.145622 logG= -0.027946 TDE= -0.170463 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.024149 logG= -0.029575 logGD-logG0= -0.005393 tlogG= -0.024103 logG= -0.029496 Density= 0.107823 ETOT(band)= -0.116990 trlgG= -0.147736 logG= -0.029496 TDE= -0.171596 Density= 0.107746 ETOT(band)= -0.117078 trlgG= -0.147861 logG= -0.029575 TDE= -0.171604 logGD-logG0= -0.005228 tlogG= -0.023887 logG= -0.029115 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108183 ETOT(band)= -0.116566 trlgG= -0.147107 logG= -0.029115 TDE= -0.171527 logGD-logG0= -0.002680 tlogG= -0.011995 logG= -0.014675 Density= 0.053950 ETOT(band)= -0.058424 trlgG= -0.073747 logG= -0.014675 TDE= -0.085769 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.023621 logG= -0.028851 Density= 0.108138 ETOT(band)= -0.116440 trlgG= -0.146686 logG= -0.028851 TDE= -0.171347 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.023981 logG= -0.029317 Density= 0.107380 ETOT(band)= -0.117068 trlgG= -0.147398 logG= -0.029317 TDE= -0.171218 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005623 logG= -0.006885 Density= 0.080790 ETOT(band)= -0.086980 trlgG= -0.108729 logG= -0.006885 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023886 logG= -0.029264 Density= 0.107850 ETOT(band)= -0.116816 trlgG= -0.147350 logG= -0.029264 TDE= -0.171455 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005416 tlogG= -0.023595 logG= -0.029011 Density= 0.107735 ETOT(band)= -0.116720 trlgG= -0.146935 logG= -0.029011 TDE= -0.171236 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009862 tlogG= -0.047188 logG= -0.057051 Density= 0.213642 ETOT(band)= -0.233768 trlgG= -0.293136 logG= -0.057051 TDE= -0.341806 logGD-logG0= -0.001467 tlogG= -0.007970 logG= -0.009437 Density= 0.070826 ETOT(band)= -0.077960 trlgG= -0.097560 logG= -0.009437 TDE= -0.056960 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.045619 logG= -0.055578 logGD-logG0= -0.009323 tlogG= -0.047657 logG= -0.056980 Density= 0.212802 ETOT(band)= -0.234066 trlgG= -0.293207 logG= -0.056980 TDE= -0.341531 logGD-logG0= -0.010143 tlogG= -0.047929 logG= -0.058073 Density= 0.214238 ETOT(band)= -0.232682 trlgG= -0.290495 logG= -0.055578 TDE= -0.340932 Density= 0.213844 ETOT(band)= -0.234213 trlgG= -0.294402 logG= -0.058073 TDE= -0.342150 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009753 tlogG= -0.047958 logG= -0.057711 Density= 0.213149 ETOT(band)= -0.234276 trlgG= -0.293853 logG= -0.057711 TDE= -0.341619 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009635 tlogG= -0.047476 logG= -0.057111 Density= 0.214186 ETOT(band)= -0.233598 trlgG= -0.293267 logG= -0.057111 TDE= -0.342146 logGD-logG0= -0.001657 tlogG= -0.006997 logG= -0.008654 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010064 tlogG= -0.045678 logG= -0.055742 logGD-logG0= -0.010868 tlogG= -0.048176 logG= -0.059043 Density= 0.215296 ETOT(band)= -0.234170 trlgG= -0.295525 logG= -0.059043 TDE= -0.343021 logGD-logG0= -0.001725 tlogG= -0.007309 logG= -0.009034 Density= 0.035823 ETOT(band)= -0.038580 trlgG= -0.047961 logG= -0.009034 TDE= -0.056654 Density= 0.215023 ETOT(band)= -0.232408 trlgG= -0.290310 logG= -0.055742 TDE= -0.340972 Density= 0.036174 ETOT(band)= -0.038131 trlgG= -0.047300 logG= -0.008654 TDE= -0.056547 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010733 tlogG= -0.047973 logG= -0.058706 Density= 0.215767 ETOT(band)= -0.233717 trlgG= -0.294994 logG= -0.058706 TDE= -0.343060 logGD-logG0= -0.004590 tlogG= -0.023599 logG= -0.028190 Density= 0.212496 ETOT(band)= -0.234024 trlgG= -0.293061 logG= -0.028190 TDE= -0.170688 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023431 logG= -0.028737 Density= 0.216068 ETOT(band)= -0.232689 trlgG= -0.292528 logG= -0.028737 TDE= -0.171183 logGD-logG0= -0.005278 tlogG= -0.022983 logG= -0.028262 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216096 ETOT(band)= -0.232115 trlgG= -0.290912 logG= -0.028262 TDE= -0.170895 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004883 tlogG= -0.023259 logG= -0.028141 Density= 0.213375 ETOT(band)= -0.233645 trlgG= -0.292547 logG= -0.028141 TDE= -0.170738 logGD-logG0= -0.010378 tlogG= -0.046442 logG= -0.056820 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215089 ETOT(band)= -0.232972 trlgG= -0.291945 logG= -0.056820 TDE= -0.341562 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010025 tlogG= -0.047182 logG= -0.057207 Density= 0.213653 ETOT(band)= -0.233812 trlgG= -0.292928 logG= -0.057207 TDE= -0.341448 logGD-logG0= -0.010611 tlogG= -0.047337 logG= -0.057948 Density= 0.214136 ETOT(band)= -0.233993 trlgG= -0.293630 logG= -0.057948 TDE= -0.341647 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004841 tlogG= -0.024021 logG= -0.028862 Density= 0.213995 ETOT(band)= -0.234117 trlgG= -0.294455 logG= -0.028862 TDE= -0.171224 logGD-logG0= -0.004936 tlogG= -0.023851 logG= -0.028786 Density= 0.213449 ETOT(band)= -0.234179 trlgG= -0.294066 logG= -0.028786 TDE= -0.171042 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023208 logG= -0.028479 Density= 0.214742 ETOT(band)= -0.232985 trlgG= -0.291543 logG= -0.028479 TDE= -0.170613 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.022918 logG= -0.027987 Density= 0.214671 ETOT(band)= -0.232431 trlgG= -0.290011 logG= -0.027987 TDE= -0.170425 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004403 tlogG= -0.024144 logG= -0.028547 Density= 0.212049 ETOT(band)= -0.234405 trlgG= -0.294011 logG= -0.028547 TDE= -0.170971 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.021890 logG= -0.026980 Density= 0.108258 ETOT(band)= -0.115259 trlgG= -0.143661 logG= -0.026980 TDE= -0.170253 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005003 tlogG= -0.021580 logG= -0.026583 Density= 0.108448 ETOT(band)= -0.114893 trlgG= -0.142981 logG= -0.026583 TDE= -0.170064 logGD-logG0= -0.001229 tlogG= -0.005311 logG= -0.006540 Density= 0.081508 ETOT(band)= -0.085699 trlgG= -0.106330 logG= -0.006540 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005472 logG= -0.006721 Density= 0.081151 ETOT(band)= -0.086367 trlgG= -0.107490 logG= -0.006721 TDE= -0.042571 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004705 tlogG= -0.023903 logG= -0.028609 Density= 0.213158 ETOT(band)= -0.233892 trlgG= -0.292817 logG= -0.028609 TDE= -0.170776 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.022306 logG= -0.027353 Density= 0.214135 ETOT(band)= -0.232471 trlgG= -0.289763 logG= -0.027353 TDE= -0.170161 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005171 tlogG= -0.021832 logG= -0.027003 Density= 0.107724 ETOT(band)= -0.115548 trlgG= -0.143722 logG= -0.027003 TDE= -0.170026 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005324 tlogG= -0.024017 logG= -0.029340 Density= 0.215557 ETOT(band)= -0.233889 trlgG= -0.295151 logG= -0.029340 TDE= -0.171572 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.021709 logG= -0.026821 logGD-logG0= -0.005352 tlogG= -0.023497 logG= -0.028849 Density= 0.215088 ETOT(band)= -0.233359 trlgG= -0.293231 logG= -0.028849 TDE= -0.171162 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107867 ETOT(band)= -0.115355 trlgG= -0.143413 logG= -0.026821 TDE= -0.169970 logGD-logG0= -0.005357 tlogG= -0.023815 logG= -0.029172 Density= 0.215206 ETOT(band)= -0.233795 trlgG= -0.294495 logG= -0.029172 TDE= -0.171419 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005287 tlogG= -0.024015 logG= -0.029302 Density= 0.216224 ETOT(band)= -0.233372 trlgG= -0.294673 logG= -0.029302 TDE= -0.171589 logGD-logG0= -0.010218 tlogG= -0.043418 logG= -0.053636 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216147 ETOT(band)= -0.230500 trlgG= -0.286802 logG= -0.053636 TDE= -0.340126 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005176 tlogG= -0.023859 logG= -0.029035 Density= 0.215368 ETOT(band)= -0.233791 trlgG= -0.294599 logG= -0.029035 TDE= -0.171107 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010891 tlogG= -0.048070 logG= -0.058962 Density= 0.323055 ETOT(band)= -0.351034 trlgG= -0.442854 logG= -0.058962 TDE= -0.343011 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009883 tlogG= -0.046634 logG= -0.056516 Density= 0.322516 ETOT(band)= -0.349060 trlgG= -0.436887 logG= -0.056516 TDE= -0.341598 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.021366 logG= -0.026453 Density= 0.216888 ETOT(band)= -0.229210 trlgG= -0.284602 logG= -0.026453 TDE= -0.169889 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005129 tlogG= -0.023259 logG= -0.028388 Density= 0.321514 ETOT(band)= -0.350613 trlgG= -0.440101 logG= -0.028388 TDE= -0.170849 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010515 tlogG= -0.047986 logG= -0.058500 Density= 0.428951 ETOT(band)= -0.468293 trlgG= -0.588913 logG= -0.058500 TDE= -0.342140 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010018 tlogG= -0.047882 logG= -0.057900 Density= 0.428883 ETOT(band)= -0.467995 trlgG= -0.588470 logG= -0.057900 TDE= -0.342240 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010479 tlogG= -0.048250 logG= -0.058730 Density= 0.429783 ETOT(band)= -0.468336 trlgG= -0.590037 logG= -0.058730 TDE= -0.342515 logGD-logG0= -0.010857 tlogG= -0.047758 logG= -0.058615 Density= 0.430495 ETOT(band)= -0.467590 trlgG= -0.588994 logG= -0.058615 TDE= -0.342657 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010882 tlogG= -0.048049 logG= -0.058931 Density= 0.431075 ETOT(band)= -0.467816 trlgG= -0.590347 logG= -0.058931 TDE= -0.343029 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010689 tlogG= -0.048100 logG= -0.058789 Density= 0.429889 ETOT(band)= -0.468166 trlgG= -0.589709 logG= -0.058789 TDE= -0.342640 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.047588 logG= -0.057787 Density= 0.428356 ETOT(band)= -0.467546 trlgG= -0.586866 logG= -0.057787 TDE= -0.341939 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.047599 logG= -0.058040 Density= 0.429755 ETOT(band)= -0.467185 trlgG= -0.586797 logG= -0.058040 TDE= -0.342053 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023753 logG= -0.028288 Density= 0.212964 ETOT(band)= -0.233616 trlgG= -0.292085 logG= -0.028288 TDE= -0.170773 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001614 tlogG= -0.006879 logG= -0.008493 logGD-logG0= -0.001211 tlogG= -0.005175 logG= -0.006386 Density= 0.062503 ETOT(band)= -0.067554 trlgG= -0.084302 logG= -0.006386 TDE= -0.042358 Density= 0.040823 ETOT(band)= -0.042679 trlgG= -0.052858 logG= -0.008493 TDE= -0.056461 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001606 tlogG= -0.007593 logG= -0.009198 Density= 0.071455 ETOT(band)= -0.077357 trlgG= -0.096262 logG= -0.009198 TDE= -0.056735 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001725 tlogG= -0.007122 logG= -0.008847 Density= 0.072186 ETOT(band)= -0.076490 trlgG= -0.094948 logG= -0.008847 TDE= -0.056621 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005017 tlogG= -0.022486 logG= -0.027503 Density= 0.214896 ETOT(band)= -0.231694 trlgG= -0.288365 logG= -0.027503 TDE= -0.170174 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.005752 logG= -0.007034 Density= 0.080588 ETOT(band)= -0.087409 trlgG= -0.109733 logG= -0.007034 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.021895 logG= -0.027072 Density= 0.216496 ETOT(band)= -0.230318 trlgG= -0.286807 logG= -0.027072 TDE= -0.170221 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005045 tlogG= -0.021221 logG= -0.026267 Density= 0.216216 ETOT(band)= -0.230070 trlgG= -0.285859 logG= -0.026267 TDE= -0.169796 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004680 tlogG= -0.023986 logG= -0.028666 Density= 0.212685 ETOT(band)= -0.234302 trlgG= -0.293812 logG= -0.028666 TDE= -0.170825 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.023971 logG= -0.029150 Density= 0.214214 ETOT(band)= -0.234127 trlgG= -0.294238 logG= -0.029150 TDE= -0.171057 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.023896 logG= -0.028915 Density= 0.213663 ETOT(band)= -0.234040 trlgG= -0.293329 logG= -0.028915 TDE= -0.170786 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.022454 logG= -0.027671 Density= 0.216241 ETOT(band)= -0.231316 trlgG= -0.288925 logG= -0.027671 TDE= -0.170561 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.023385 logG= -0.028137 Density= 0.214058 ETOT(band)= -0.233404 trlgG= -0.292660 logG= -0.028137 TDE= -0.170902 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005536 tlogG= -0.023369 logG= -0.028905 Density= 0.214980 ETOT(band)= -0.233385 trlgG= -0.293039 logG= -0.028905 TDE= -0.170957 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005418 tlogG= -0.024137 logG= -0.029555 Density= 0.215590 ETOT(band)= -0.234045 trlgG= -0.295566 logG= -0.029555 TDE= -0.171604 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001302 tlogG= -0.005943 logG= -0.007245 Density= 0.080783 ETOT(band)= -0.087659 trlgG= -0.110485 logG= -0.007245 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.024098 logG= -0.029448 Density= 0.322870 ETOT(band)= -0.351242 trlgG= -0.443158 logG= -0.029448 TDE= -0.171418 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001297 tlogG= -0.005859 logG= -0.007157 Density= 0.080600 ETOT(band)= -0.087624 trlgG= -0.110288 logG= -0.007157 TDE= -0.042810 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001301 tlogG= -0.005988 logG= -0.007288 Density= 0.081012 ETOT(band)= -0.087562 trlgG= -0.110538 logG= -0.007288 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004893 tlogG= -0.022341 logG= -0.027234 Density= 0.214902 ETOT(band)= -0.231984 trlgG= -0.289410 logG= -0.027234 TDE= -0.170248 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005280 tlogG= -0.023972 logG= -0.029252 Density= 0.216258 ETOT(band)= -0.233267 trlgG= -0.294441 logG= -0.029252 TDE= -0.171562 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023777 logG= -0.029077 Density= 0.216148 ETOT(band)= -0.233069 trlgG= -0.293736 logG= -0.029077 TDE= -0.171421 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.024171 logG= -0.029291 Density= 0.214615 ETOT(band)= -0.234199 trlgG= -0.294853 logG= -0.029291 TDE= -0.171230 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005465 tlogG= -0.023913 logG= -0.029379 Density= 0.215517 ETOT(band)= -0.233792 trlgG= -0.294878 logG= -0.029379 TDE= -0.171428 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005514 tlogG= -0.023700 logG= -0.029213 Density= 0.215280 ETOT(band)= -0.233644 trlgG= -0.294179 logG= -0.029213 TDE= -0.171250 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009163 tlogG= -0.048122 logG= -0.057285 Density= 0.425288 ETOT(band)= -0.468403 trlgG= -0.587109 logG= -0.057285 TDE= -0.341765 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009651 tlogG= -0.046739 logG= -0.056390 Density= 0.427643 ETOT(band)= -0.466190 trlgG= -0.582488 logG= -0.056390 TDE= -0.341207 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009854 tlogG= -0.047677 logG= -0.057531 logGD-logG0= -0.005004 tlogG= -0.021317 logG= -0.026321 Density= 0.162550 ETOT(band)= -0.173010 trlgG= -0.216158 logG= -0.026321 TDE= -0.169876 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.426424 ETOT(band)= -0.468431 trlgG= -0.587629 logG= -0.057531 TDE= -0.341784 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010132 tlogG= -0.046429 logG= -0.056561 Density= 0.429279 ETOT(band)= -0.465620 trlgG= -0.582164 logG= -0.056561 TDE= -0.341318 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010603 tlogG= -0.047817 logG= -0.058421 logGD-logG0= -0.004784 tlogG= -0.023382 logG= -0.028165 Density= 0.321447 ETOT(band)= -0.350106 trlgG= -0.439248 logG= -0.028165 TDE= -0.170894 Density= 0.324155 ETOT(band)= -0.349962 trlgG= -0.441508 logG= -0.058421 TDE= -0.343018 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009808 tlogG= -0.047796 logG= -0.057604 Density= 0.426927 ETOT(band)= -0.467980 trlgG= -0.586479 logG= -0.057604 TDE= -0.341486 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.044651 logG= -0.054816 Density= 0.324093 ETOT(band)= -0.346722 trlgG= -0.432439 logG= -0.054816 TDE= -0.340768 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010375 tlogG= -0.045659 logG= -0.056033 Density= 0.323852 ETOT(band)= -0.347993 trlgG= -0.435452 logG= -0.056033 TDE= -0.341445 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005450 tlogG= -0.023973 logG= -0.029423 Density= 0.323467 ETOT(band)= -0.350707 trlgG= -0.442598 logG= -0.029423 TDE= -0.171476 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009843 tlogG= -0.047868 logG= -0.057711 Density= 0.427787 ETOT(band)= -0.468219 trlgG= -0.588496 logG= -0.057711 TDE= -0.342253 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009703 tlogG= -0.046636 logG= -0.056338 Density= 0.427847 ETOT(band)= -0.466914 trlgG= -0.585098 logG= -0.056338 TDE= -0.341623 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010014 tlogG= -0.044653 logG= -0.054667 Density= 0.431350 ETOT(band)= -0.462145 trlgG= -0.575379 logG= -0.054667 TDE= -0.340404 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010457 tlogG= -0.047697 logG= -0.058154 Density= 0.428040 ETOT(band)= -0.468202 trlgG= -0.587828 logG= -0.058154 TDE= -0.341894 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010517 tlogG= -0.046959 logG= -0.057476 Density= 0.429626 ETOT(band)= -0.466537 trlgG= -0.584866 logG= -0.057476 TDE= -0.341608 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.022998 logG= -0.028205 logGD-logG0= -0.005249 tlogG= -0.023446 logG= -0.028695 Density= 0.108065 ETOT(band)= -0.116393 trlgG= -0.146442 logG= -0.028695 TDE= -0.171223 Density= 0.108070 ETOT(band)= -0.116123 trlgG= -0.145667 logG= -0.028205 TDE= -0.170940 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009997 tlogG= -0.048273 logG= -0.058270 Density= 0.214275 ETOT(band)= -0.234175 trlgG= -0.294714 logG= -0.058270 TDE= -0.342478 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009679 tlogG= -0.045789 logG= -0.055468 Density= 0.214891 ETOT(band)= -0.232333 trlgG= -0.290318 logG= -0.055468 TDE= -0.341188 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010719 tlogG= -0.047776 logG= -0.058495 logGD-logG0= -0.010674 tlogG= -0.048111 logG= -0.058784 Density= 0.214944 ETOT(band)= -0.234153 trlgG= -0.295060 logG= -0.058784 TDE= -0.342640 Density= 0.214630 ETOT(band)= -0.234099 trlgG= -0.294549 logG= -0.058495 TDE= -0.342264 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010808 tlogG= -0.047560 logG= -0.058368 Density= 0.215572 ETOT(band)= -0.233600 trlgG= -0.294431 logG= -0.058368 TDE= -0.342739 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010817 tlogG= -0.046909 logG= -0.057726 Density= 0.215302 ETOT(band)= -0.233363 trlgG= -0.293390 logG= -0.057726 TDE= -0.342205 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.024177 logG= -0.029322 Density= 0.322250 ETOT(band)= -0.351269 trlgG= -0.442506 logG= -0.029322 TDE= -0.171225 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004873 tlogG= -0.024020 logG= -0.028893 Density= 0.321377 ETOT(band)= -0.351155 trlgG= -0.441827 logG= -0.028893 TDE= -0.171219 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010650 tlogG= -0.047266 logG= -0.057916 Density= 0.323938 ETOT(band)= -0.349594 trlgG= -0.440159 logG= -0.057916 TDE= -0.342627 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010647 tlogG= -0.046446 logG= -0.057092 Density= 0.323804 ETOT(band)= -0.348937 trlgG= -0.438073 logG= -0.057092 TDE= -0.342069 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010346 tlogG= -0.048177 logG= -0.058523 Density= 0.429048 ETOT(band)= -0.468332 trlgG= -0.589268 logG= -0.058523 TDE= -0.342300 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010957 tlogG= -0.047724 logG= -0.058681 Density= 0.430835 ETOT(band)= -0.467533 trlgG= -0.589353 logG= -0.058681 TDE= -0.342764 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.022342 logG= -0.027275 Density= 0.322682 ETOT(band)= -0.348028 trlgG= -0.434495 logG= -0.027275 TDE= -0.170242 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010916 tlogG= -0.047297 logG= -0.058213 Density= 0.430226 ETOT(band)= -0.467165 trlgG= -0.587521 logG= -0.058213 TDE= -0.342273 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.864312169617 eV TrLogG= -407.633921294559 eV Ratio to renormalize= 1.000621357330 rho-rho_expected=-0.013661372669 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964661948364151 0.940408667399226 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002473 tlogG= -0.012090 logG= -0.014563 Density= 0.053554 ETOT(band)= -0.058556 trlgG= -0.073711 logG= -0.014563 TDE= -0.085649 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000200 tlogG= -0.000853 logG= -0.001053 Density= 0.004540 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002377 tlogG= -0.011892 logG= -0.014269 Density= 0.053531 ETOT(band)= -0.058412 trlgG= -0.073348 logG= -0.014269 TDE= -0.085569 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002655 tlogG= -0.012041 logG= -0.014695 Density= 0.053732 ETOT(band)= -0.058544 trlgG= -0.073768 logG= -0.014695 TDE= -0.085662 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001521 tlogG= -0.007816 logG= -0.009337 Density= 0.035472 ETOT(band)= -0.038932 trlgG= -0.048662 logG= -0.009337 TDE= -0.056879 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.008049 logG= -0.009490 Density= 0.035293 ETOT(band)= -0.039083 trlgG= -0.049027 logG= -0.009490 TDE= -0.057002 logGD-logG0= -0.002383 tlogG= -0.011456 logG= -0.013840 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053706 ETOT(band)= -0.058080 trlgG= -0.072583 logG= -0.013840 TDE= -0.085320 logGD-logG0= -0.002609 tlogG= -0.011993 logG= -0.014602 Density= 0.054106 ETOT(band)= -0.058306 trlgG= -0.073631 logG= -0.014602 TDE= -0.085803 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004428 tlogG= -0.024067 logG= -0.028494 logGD-logG0= -0.005205 tlogG= -0.023001 logG= -0.028205 logGD-logG0= -0.005136 tlogG= -0.022475 logG= -0.027612 logGD-logG0= -0.005239 tlogG= -0.023969 logG= -0.029207 Density= 0.108141 ETOT(band)= -0.115756 trlgG= -0.144728 logG= -0.027612 TDE= -0.170630 logGD-logG0= -0.005252 tlogG= -0.023782 logG= -0.029034 Density= 0.108167 ETOT(band)= -0.116637 trlgG= -0.147266 logG= -0.029207 TDE= -0.171585 Density= 0.108116 ETOT(band)= -0.116562 trlgG= -0.146987 logG= -0.029034 TDE= -0.171455 logGD-logG0= -0.004454 tlogG= -0.023990 logG= -0.028444 Density= 0.106110 ETOT(band)= -0.117142 trlgG= -0.146842 logG= -0.028444 TDE= -0.170906 Density= 0.108073 ETOT(band)= -0.116130 trlgG= -0.145676 logG= -0.028205 TDE= -0.170951 logGD-logG0= -0.002679 tlogG= -0.011997 logG= -0.014676 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053952 ETOT(band)= -0.058427 trlgG= -0.073752 logG= -0.014676 TDE= -0.085774 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106058 ETOT(band)= -0.117186 trlgG= -0.146955 logG= -0.028494 TDE= -0.170943 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022188 logG= -0.027241 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005384 tlogG= -0.024088 logG= -0.029472 Density= 0.108297 ETOT(band)= -0.115450 trlgG= -0.144120 logG= -0.027241 TDE= -0.170470 Density= 0.107582 ETOT(band)= -0.117090 trlgG= -0.147682 logG= -0.029472 TDE= -0.171447 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004651 tlogG= -0.024061 logG= -0.028712 Density= 0.106329 ETOT(band)= -0.117175 trlgG= -0.146964 logG= -0.028712 TDE= -0.170868 logGD-logG0= -0.005247 tlogG= -0.023449 logG= -0.028695 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108069 ETOT(band)= -0.116400 trlgG= -0.146451 logG= -0.028695 TDE= -0.171234 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.023890 logG= -0.029115 Density= 0.108187 ETOT(band)= -0.116573 trlgG= -0.147117 logG= -0.029115 TDE= -0.171537 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005228 tlogG= -0.023624 logG= -0.028852 Density= 0.108142 ETOT(band)= -0.116447 trlgG= -0.146696 logG= -0.028852 TDE= -0.171358 logGD-logG0= -0.005391 tlogG= -0.024106 logG= -0.029497 Density= 0.107827 ETOT(band)= -0.116997 trlgG= -0.147746 logG= -0.029497 TDE= -0.171607 logGD-logG0= -0.005392 tlogG= -0.023700 logG= -0.029092 Density= 0.107171 ETOT(band)= -0.117023 trlgG= -0.147013 logG= -0.029092 TDE= -0.170955 logGD-logG0= -0.005334 tlogG= -0.023984 logG= -0.029318 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005416 tlogG= -0.023919 logG= -0.029335 Density= 0.107384 ETOT(band)= -0.117076 trlgG= -0.147408 logG= -0.029318 TDE= -0.171229 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107691 ETOT(band)= -0.116956 trlgG= -0.147466 logG= -0.029335 TDE= -0.171422 logGD-logG0= -0.005424 tlogG= -0.024152 logG= -0.029576 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023234 logG= -0.028432 Density= 0.108132 ETOT(band)= -0.116223 trlgG= -0.146032 logG= -0.028432 TDE= -0.171110 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107750 ETOT(band)= -0.117086 trlgG= -0.147871 logG= -0.029576 TDE= -0.171615 logGD-logG0= -0.005105 tlogG= -0.023658 logG= -0.028762 logGD-logG0= -0.004813 tlogG= -0.023005 logG= -0.027818 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106812 ETOT(band)= -0.116511 trlgG= -0.145370 logG= -0.027818 TDE= -0.170408 logGD-logG0= -0.005011 tlogG= -0.023908 logG= -0.028918 Density= 0.106697 ETOT(band)= -0.117135 trlgG= -0.147076 logG= -0.028918 TDE= -0.170956 Density= 0.106918 ETOT(band)= -0.116952 trlgG= -0.146462 logG= -0.028762 TDE= -0.170608 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022752 logG= -0.027884 Density= 0.108187 ETOT(band)= -0.115893 trlgG= -0.145164 logG= -0.027884 TDE= -0.170817 logGD-logG0= -0.004786 tlogG= -0.023684 logG= -0.028469 Density= 0.106538 ETOT(band)= -0.116980 trlgG= -0.146548 logG= -0.028469 TDE= -0.170799 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.024109 logG= -0.029208 Density= 0.107319 ETOT(band)= -0.117055 trlgG= -0.147304 logG= -0.029208 TDE= -0.171203 logGD-logG0= -0.005214 tlogG= -0.022892 logG= -0.028106 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.023515 logG= -0.028355 Density= 0.107555 ETOT(band)= -0.116317 trlgG= -0.145504 logG= -0.028106 TDE= -0.170622 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004813 tlogG= -0.023703 logG= -0.028516 Density= 0.106714 ETOT(band)= -0.116833 trlgG= -0.146118 logG= -0.028355 TDE= -0.170570 Density= 0.106916 ETOT(band)= -0.116863 trlgG= -0.146653 logG= -0.028516 TDE= -0.171044 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.024086 logG= -0.029072 logGD-logG0= -0.004934 tlogG= -0.023705 logG= -0.028639 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107318 ETOT(band)= -0.116744 trlgG= -0.146561 logG= -0.028639 TDE= -0.171029 Density= 0.106996 ETOT(band)= -0.117116 trlgG= -0.147330 logG= -0.029072 TDE= -0.171205 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022866 logG= -0.027832 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.022869 logG= -0.027712 Density= 0.107237 ETOT(band)= -0.116257 trlgG= -0.145218 logG= -0.027712 TDE= -0.170573 Density= 0.107687 ETOT(band)= -0.116113 trlgG= -0.145092 logG= -0.027832 TDE= -0.170548 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023889 logG= -0.029265 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107854 ETOT(band)= -0.116824 trlgG= -0.147360 logG= -0.029265 TDE= -0.171466 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004727 tlogG= -0.023221 logG= -0.027947 Density= 0.106676 ETOT(band)= -0.116642 trlgG= -0.145633 logG= -0.027947 TDE= -0.170474 logGD-logG0= -0.009994 tlogG= -0.048278 logG= -0.058272 Density= 0.214282 ETOT(band)= -0.234191 trlgG= -0.294735 logG= -0.058272 TDE= -0.342500 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005414 tlogG= -0.023598 logG= -0.029012 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107739 ETOT(band)= -0.116727 trlgG= -0.146944 logG= -0.029012 TDE= -0.171247 logGD-logG0= -0.005365 tlogG= -0.024077 logG= -0.029442 Density= 0.107886 ETOT(band)= -0.116930 trlgG= -0.147657 logG= -0.029442 TDE= -0.171601 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009676 tlogG= -0.045794 logG= -0.055470 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214897 ETOT(band)= -0.232348 trlgG= -0.290338 logG= -0.055470 TDE= -0.341210 logGD-logG0= -0.009956 tlogG= -0.045624 logG= -0.055580 Density= 0.214243 ETOT(band)= -0.232699 trlgG= -0.290516 logG= -0.055580 TDE= -0.340954 logGD-logG0= -0.010140 tlogG= -0.047935 logG= -0.058075 logGD-logG0= -0.009859 tlogG= -0.047194 logG= -0.057052 Density= 0.213647 ETOT(band)= -0.233784 trlgG= -0.293158 logG= -0.057052 TDE= -0.341829 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213850 ETOT(band)= -0.234229 trlgG= -0.294423 logG= -0.058075 TDE= -0.342172 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010716 tlogG= -0.047781 logG= -0.058497 logGD-logG0= -0.009751 tlogG= -0.047961 logG= -0.057713 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.047185 logG= -0.057209 Density= 0.213659 ETOT(band)= -0.233828 trlgG= -0.292950 logG= -0.057209 TDE= -0.341470 Density= 0.214637 ETOT(band)= -0.234115 trlgG= -0.294570 logG= -0.058497 TDE= -0.342286 logGD-logG0= -0.009321 tlogG= -0.047662 logG= -0.056983 Density= 0.212807 ETOT(band)= -0.234084 trlgG= -0.293229 logG= -0.056983 TDE= -0.341554 Density= 0.213154 ETOT(band)= -0.234293 trlgG= -0.293875 logG= -0.057713 TDE= -0.341641 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005406 tlogG= -0.023213 logG= -0.028618 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107622 ETOT(band)= -0.116566 trlgG= -0.146315 logG= -0.028618 TDE= -0.170953 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010580 tlogG= -0.047821 logG= -0.058401 Density= 0.214537 ETOT(band)= -0.234108 trlgG= -0.294401 logG= -0.058401 TDE= -0.342163 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010671 tlogG= -0.048115 logG= -0.058786 Density= 0.214951 ETOT(band)= -0.234168 trlgG= -0.295080 logG= -0.058786 TDE= -0.342663 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010519 tlogG= -0.048014 logG= -0.058533 Density= 0.214954 ETOT(band)= -0.234023 trlgG= -0.294664 logG= -0.058533 TDE= -0.342501 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010382 tlogG= -0.047693 logG= -0.058075 Density= 0.213831 ETOT(band)= -0.234216 trlgG= -0.294175 logG= -0.058075 TDE= -0.341914 logGD-logG0= -0.010263 tlogG= -0.048063 logG= -0.058327 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001724 tlogG= -0.007310 logG= -0.009034 Density= 0.035823 ETOT(band)= -0.038583 trlgG= -0.047964 logG= -0.009034 TDE= -0.056658 logGD-logG0= -0.010061 tlogG= -0.045683 logG= -0.055744 Density= 0.215029 ETOT(band)= -0.232424 trlgG= -0.290330 logG= -0.055744 TDE= -0.340993 Density= 0.214412 ETOT(band)= -0.234138 trlgG= -0.294484 logG= -0.058327 TDE= -0.342259 logGD-logG0= -0.010728 tlogG= -0.047979 logG= -0.058707 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215775 ETOT(band)= -0.233731 trlgG= -0.295013 logG= -0.058707 TDE= -0.343082 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001657 tlogG= -0.006998 logG= -0.008654 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010752 tlogG= -0.048049 logG= -0.058801 Density= 0.036175 ETOT(band)= -0.038134 trlgG= -0.047303 logG= -0.008654 TDE= -0.056550 Density= 0.214988 ETOT(band)= -0.234159 trlgG= -0.295108 logG= -0.058801 TDE= -0.342693 logGD-logG0= -0.010609 tlogG= -0.047341 logG= -0.057950 logGD-logG0= -0.010803 tlogG= -0.047566 logG= -0.058369 Density= 0.214143 ETOT(band)= -0.234009 trlgG= -0.293651 logG= -0.057950 TDE= -0.341670 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002451 tlogG= -0.010435 logG= -0.012886 Density= 0.054346 ETOT(band)= -0.057083 trlgG= -0.070777 logG= -0.012886 TDE= -0.084784 logGD-logG0= -0.010375 tlogG= -0.046446 logG= -0.056821 Density= 0.215095 ETOT(band)= -0.232987 trlgG= -0.291965 logG= -0.056821 TDE= -0.341584 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215579 ETOT(band)= -0.233614 trlgG= -0.294451 logG= -0.058369 TDE= -0.342761 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009631 tlogG= -0.047482 logG= -0.057113 Density= 0.214191 ETOT(band)= -0.233614 trlgG= -0.293288 logG= -0.057113 TDE= -0.342168 logGD-logG0= -0.010773 tlogG= -0.047455 logG= -0.058229 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215347 ETOT(band)= -0.233655 trlgG= -0.294211 logG= -0.058229 TDE= -0.342547 logGD-logG0= -0.002513 tlogG= -0.010849 logG= -0.013362 logGD-logG0= -0.010815 tlogG= -0.046913 logG= -0.057728 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054032 ETOT(band)= -0.057600 trlgG= -0.071624 logG= -0.013362 TDE= -0.084999 Density= 0.215309 ETOT(band)= -0.233378 trlgG= -0.293409 logG= -0.057728 TDE= -0.342227 logGD-logG0= -0.010865 tlogG= -0.048180 logG= -0.059045 Density= 0.215303 ETOT(band)= -0.234185 trlgG= -0.295545 logG= -0.059045 TDE= -0.343043 logGD-logG0= -0.009986 tlogG= -0.047258 logG= -0.057245 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010783 tlogG= -0.047928 logG= -0.058711 Density= 0.214358 ETOT(band)= -0.233575 trlgG= -0.293061 logG= -0.057245 TDE= -0.341891 Density= 0.215647 ETOT(band)= -0.233804 trlgG= -0.295016 logG= -0.058711 TDE= -0.343017 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010288 tlogG= -0.047186 logG= -0.057474 Density= 0.215031 ETOT(band)= -0.233389 trlgG= -0.292983 logG= -0.057474 TDE= -0.341918 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.022425 logG= -0.027539 Density= 0.107574 ETOT(band)= -0.115984 trlgG= -0.144607 logG= -0.027539 TDE= -0.170301 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.021893 logG= -0.026981 Density= 0.108261 ETOT(band)= -0.115266 trlgG= -0.143670 logG= -0.026981 TDE= -0.170263 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021582 logG= -0.026583 Density= 0.108451 ETOT(band)= -0.114900 trlgG= -0.142990 logG= -0.026583 TDE= -0.170074 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004920 tlogG= -0.021007 logG= -0.025927 Density= 0.108647 ETOT(band)= -0.114312 trlgG= -0.141833 logG= -0.025927 TDE= -0.169670 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005170 tlogG= -0.021834 logG= -0.027004 Density= 0.107727 ETOT(band)= -0.115555 trlgG= -0.143732 logG= -0.027004 TDE= -0.170037 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005110 tlogG= -0.021711 logG= -0.026821 Density= 0.107870 ETOT(band)= -0.115363 trlgG= -0.143422 logG= -0.026821 TDE= -0.169980 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010214 tlogG= -0.043423 logG= -0.053637 Density= 0.216154 ETOT(band)= -0.230515 trlgG= -0.286820 logG= -0.053637 TDE= -0.340147 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004402 tlogG= -0.024147 logG= -0.028548 Density= 0.212053 ETOT(band)= -0.234423 trlgG= -0.294034 logG= -0.028548 TDE= -0.170982 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023602 logG= -0.028191 Density= 0.212500 ETOT(band)= -0.234041 trlgG= -0.293084 logG= -0.028191 TDE= -0.170699 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001613 tlogG= -0.006880 logG= -0.008493 Density= 0.040824 ETOT(band)= -0.042682 trlgG= -0.052861 logG= -0.008493 TDE= -0.056464 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004704 tlogG= -0.023905 logG= -0.028610 logGD-logG0= -0.001297 tlogG= -0.005860 logG= -0.007157 Density= 0.080603 ETOT(band)= -0.087630 trlgG= -0.110296 logG= -0.007157 TDE= -0.042813 Density= 0.213163 ETOT(band)= -0.233909 trlgG= -0.292838 logG= -0.028610 TDE= -0.170788 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001301 tlogG= -0.005944 logG= -0.007245 Density= 0.080786 ETOT(band)= -0.087665 trlgG= -0.110493 logG= -0.007245 TDE= -0.042867 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005752 logG= -0.007035 Density= 0.080591 ETOT(band)= -0.087415 trlgG= -0.109740 logG= -0.007035 TDE= -0.042748 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001467 tlogG= -0.007971 logG= -0.009437 Density= 0.070827 ETOT(band)= -0.077966 trlgG= -0.097568 logG= -0.009437 TDE= -0.056964 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001605 tlogG= -0.007593 logG= -0.009198 Density= 0.071457 ETOT(band)= -0.077363 trlgG= -0.096269 logG= -0.009198 TDE= -0.056739 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001300 tlogG= -0.005988 logG= -0.007288 Density= 0.081015 ETOT(band)= -0.087568 trlgG= -0.110545 logG= -0.007288 TDE= -0.042897 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.005624 logG= -0.006885 Density= 0.080792 ETOT(band)= -0.086985 trlgG= -0.108736 logG= -0.006885 TDE= -0.042671 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.024020 logG= -0.029341 Density= 0.215565 ETOT(band)= -0.233904 trlgG= -0.295170 logG= -0.029341 TDE= -0.171583 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001210 tlogG= -0.005176 logG= -0.006386 logGD-logG0= -0.005285 tlogG= -0.024018 logG= -0.029303 Density= 0.216233 ETOT(band)= -0.233386 trlgG= -0.294692 logG= -0.029303 TDE= -0.171600 Density= 0.062505 ETOT(band)= -0.067558 trlgG= -0.084308 logG= -0.006386 TDE= -0.042361 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005355 tlogG= -0.023818 logG= -0.029173 logGD-logG0= -0.005351 tlogG= -0.023499 logG= -0.028850 Density= 0.215094 ETOT(band)= -0.233374 trlgG= -0.293251 logG= -0.028850 TDE= -0.171173 Density= 0.215214 ETOT(band)= -0.233810 trlgG= -0.294515 logG= -0.029173 TDE= -0.171430 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023975 logG= -0.029252 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216266 ETOT(band)= -0.233281 trlgG= -0.294459 logG= -0.029252 TDE= -0.171573 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.024023 logG= -0.028894 Density= 0.321387 ETOT(band)= -0.351179 trlgG= -0.441858 logG= -0.028894 TDE= -0.171230 logGD-logG0= -0.005174 tlogG= -0.023862 logG= -0.029036 Density= 0.215375 ETOT(band)= -0.233805 trlgG= -0.294619 logG= -0.029036 TDE= -0.171118 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.024174 logG= -0.029291 Density= 0.214622 ETOT(band)= -0.234215 trlgG= -0.294874 logG= -0.029291 TDE= -0.171241 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005415 tlogG= -0.024141 logG= -0.029556 Density= 0.215598 ETOT(band)= -0.234060 trlgG= -0.295586 logG= -0.029556 TDE= -0.171615 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005297 tlogG= -0.023780 logG= -0.029078 Density= 0.216156 ETOT(band)= -0.233083 trlgG= -0.293755 logG= -0.029078 TDE= -0.171432 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.022309 logG= -0.027354 Density= 0.214141 ETOT(band)= -0.232487 trlgG= -0.289784 logG= -0.027354 TDE= -0.170172 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005177 tlogG= -0.023974 logG= -0.029151 Density= 0.214221 ETOT(band)= -0.234142 trlgG= -0.294259 logG= -0.029151 TDE= -0.171068 logGD-logG0= -0.005215 tlogG= -0.022457 logG= -0.027672 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216248 ETOT(band)= -0.231331 trlgG= -0.288944 logG= -0.027672 TDE= -0.170572 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005463 tlogG= -0.023917 logG= -0.029380 Density= 0.215525 ETOT(band)= -0.233806 trlgG= -0.294897 logG= -0.029380 TDE= -0.171439 logGD-logG0= -0.010598 tlogG= -0.047823 logG= -0.058422 Density= 0.324167 ETOT(band)= -0.349983 trlgG= -0.441536 logG= -0.058422 TDE= -0.343040 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023988 logG= -0.028667 logGD-logG0= -0.005304 tlogG= -0.023433 logG= -0.028737 Density= 0.216076 ETOT(band)= -0.232703 trlgG= -0.292547 logG= -0.028737 TDE= -0.171193 Density= 0.212690 ETOT(band)= -0.234320 trlgG= -0.293834 logG= -0.028667 TDE= -0.170836 logGD-logG0= -0.005015 tlogG= -0.022488 logG= -0.027504 Density= 0.214902 ETOT(band)= -0.231710 trlgG= -0.288385 logG= -0.027504 TDE= -0.170185 logGD-logG0= -0.010888 tlogG= -0.048076 logG= -0.058963 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323067 ETOT(band)= -0.351056 trlgG= -0.442884 logG= -0.058963 TDE= -0.343033 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.045663 logG= -0.056035 Density= 0.323862 ETOT(band)= -0.348014 trlgG= -0.435480 logG= -0.056035 TDE= -0.341467 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.023897 logG= -0.028916 Density= 0.213669 ETOT(band)= -0.234057 trlgG= -0.293350 logG= -0.028916 TDE= -0.170798 logGD-logG0= -0.005276 tlogG= -0.022986 logG= -0.028262 Density= 0.216103 ETOT(band)= -0.232129 trlgG= -0.290930 logG= -0.028262 TDE= -0.170906 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.023853 logG= -0.028787 Density= 0.213454 ETOT(band)= -0.234196 trlgG= -0.294088 logG= -0.028787 TDE= -0.171053 logGD-logG0= -0.005128 tlogG= -0.023261 logG= -0.028389 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321524 ETOT(band)= -0.350637 trlgG= -0.440132 logG= -0.028389 TDE= -0.170860 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005511 tlogG= -0.023703 logG= -0.029214 Density= 0.215287 ETOT(band)= -0.233658 trlgG= -0.294199 logG= -0.029214 TDE= -0.171261 logGD-logG0= -0.005143 tlogG= -0.024179 logG= -0.029323 logGD-logG0= -0.010642 tlogG= -0.046451 logG= -0.057094 Density= 0.322261 ETOT(band)= -0.351292 trlgG= -0.442537 logG= -0.029323 TDE= -0.171236 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323815 ETOT(band)= -0.348959 trlgG= -0.438101 logG= -0.057094 TDE= -0.342091 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.023261 logG= -0.028142 Density= 0.213380 ETOT(band)= -0.233662 trlgG= -0.292569 logG= -0.028142 TDE= -0.170749 logGD-logG0= -0.009649 tlogG= -0.046743 logG= -0.056392 logGD-logG0= -0.005349 tlogG= -0.024101 logG= -0.029449 Density= 0.427654 ETOT(band)= -0.466223 trlgG= -0.582531 logG= -0.056392 TDE= -0.341229 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322881 ETOT(band)= -0.351265 trlgG= -0.443188 logG= -0.029449 TDE= -0.171429 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004839 tlogG= -0.024024 logG= -0.028863 Density= 0.214001 ETOT(band)= -0.234133 trlgG= -0.294476 logG= -0.028863 TDE= -0.171235 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.047272 logG= -0.057917 Density= 0.323950 ETOT(band)= -0.349616 trlgG= -0.440188 logG= -0.057917 TDE= -0.342648 logGD-logG0= -0.009161 tlogG= -0.048126 logG= -0.057287 logGD-logG0= -0.005002 tlogG= -0.021319 logG= -0.026321 Density= 0.162555 ETOT(band)= -0.173020 trlgG= -0.216172 logG= -0.026321 TDE= -0.169886 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425297 ETOT(band)= -0.468438 trlgG= -0.587153 logG= -0.057287 TDE= -0.341788 logGD-logG0= -0.005448 tlogG= -0.023976 logG= -0.029424 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323479 ETOT(band)= -0.350728 trlgG= -0.442627 logG= -0.029424 TDE= -0.171487 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023210 logG= -0.028480 logGD-logG0= -0.009806 tlogG= -0.047800 logG= -0.057606 Density= 0.426938 ETOT(band)= -0.468013 trlgG= -0.586522 logG= -0.057606 TDE= -0.341508 logGD-logG0= -0.009852 tlogG= -0.047681 logG= -0.057533 Density= 0.426435 ETOT(band)= -0.468464 trlgG= -0.587672 logG= -0.057533 TDE= -0.341807 logGD-logG0= -0.004750 tlogG= -0.023388 logG= -0.028137 Density= 0.214064 ETOT(band)= -0.233420 trlgG= -0.292681 logG= -0.028137 TDE= -0.170913 Density= 0.214748 ETOT(band)= -0.233001 trlgG= -0.291563 logG= -0.028480 TDE= -0.170624 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009839 tlogG= -0.047873 logG= -0.057712 Density= 0.427799 ETOT(band)= -0.468251 trlgG= -0.588538 logG= -0.057712 TDE= -0.342275 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010343 tlogG= -0.048182 logG= -0.058525 Density= 0.429062 ETOT(band)= -0.468363 trlgG= -0.589309 logG= -0.058525 TDE= -0.342322 logGD-logG0= -0.004782 tlogG= -0.023384 logG= -0.028166 Density= 0.321456 ETOT(band)= -0.350130 trlgG= -0.439279 logG= -0.028166 TDE= -0.170905 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.023755 logG= -0.028289 Density= 0.212968 ETOT(band)= -0.233633 trlgG= -0.292108 logG= -0.028289 TDE= -0.170784 logGD-logG0= -0.009879 tlogG= -0.046639 logG= -0.056518 Density= 0.322525 ETOT(band)= -0.349083 trlgG= -0.436916 logG= -0.056518 TDE= -0.341619 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010512 tlogG= -0.047990 logG= -0.058502 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428965 ETOT(band)= -0.468324 trlgG= -0.588955 logG= -0.058502 TDE= -0.342162 logGD-logG0= -0.010129 tlogG= -0.046434 logG= -0.056563 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429291 ETOT(band)= -0.465652 trlgG= -0.582205 logG= -0.056563 TDE= -0.341340 logGD-logG0= -0.001229 tlogG= -0.005312 logG= -0.006540 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081511 ETOT(band)= -0.085704 trlgG= -0.106337 logG= -0.006540 TDE= -0.042462 logGD-logG0= -0.009699 tlogG= -0.046641 logG= -0.056340 Density= 0.427858 ETOT(band)= -0.466946 trlgG= -0.585140 logG= -0.056340 TDE= -0.341645 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.047701 logG= -0.058156 Density= 0.428053 ETOT(band)= -0.468234 trlgG= -0.587870 logG= -0.058156 TDE= -0.341916 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010687 tlogG= -0.048104 logG= -0.058791 Density= 0.429903 ETOT(band)= -0.468197 trlgG= -0.589750 logG= -0.058791 TDE= -0.342663 logGD-logG0= -0.010854 tlogG= -0.047763 logG= -0.058617 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010015 tlogG= -0.047887 logG= -0.057902 Density= 0.428897 ETOT(band)= -0.468026 trlgG= -0.588510 logG= -0.057902 TDE= -0.342262 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430510 ETOT(band)= -0.467619 trlgG= -0.589034 logG= -0.058617 TDE= -0.342679 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.021369 logG= -0.026454 logGD-logG0= -0.010952 tlogG= -0.047730 logG= -0.058683 Density= 0.430850 ETOT(band)= -0.467562 trlgG= -0.589392 logG= -0.058683 TDE= -0.342786 logGD-logG0= -0.010476 tlogG= -0.048255 logG= -0.058731 logGD-logG0= -0.010514 tlogG= -0.046964 logG= -0.057478 Density= 0.429639 ETOT(band)= -0.466568 trlgG= -0.584906 logG= -0.057478 TDE= -0.341630 Density= 0.429797 ETOT(band)= -0.468367 trlgG= -0.590078 logG= -0.058731 TDE= -0.342537 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216895 ETOT(band)= -0.229224 trlgG= -0.284619 logG= -0.026454 TDE= -0.169899 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010196 tlogG= -0.047593 logG= -0.057789 Density= 0.428369 ETOT(band)= -0.467578 trlgG= -0.586907 logG= -0.057789 TDE= -0.341961 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010162 tlogG= -0.044655 logG= -0.054817 Density= 0.324103 ETOT(band)= -0.346744 trlgG= -0.432467 logG= -0.054817 TDE= -0.340788 logGD-logG0= -0.010877 tlogG= -0.048056 logG= -0.058933 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431091 ETOT(band)= -0.467845 trlgG= -0.590387 logG= -0.058933 TDE= -0.343051 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001725 tlogG= -0.007123 logG= -0.008848 Density= 0.072188 ETOT(band)= -0.076495 trlgG= -0.094954 logG= -0.008848 TDE= -0.056625 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010913 tlogG= -0.047302 logG= -0.058215 Density= 0.430240 ETOT(band)= -0.467195 trlgG= -0.587561 logG= -0.058215 TDE= -0.342295 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.047604 logG= -0.058042 Density= 0.429769 ETOT(band)= -0.467216 trlgG= -0.586838 logG= -0.058042 TDE= -0.342076 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.022344 logG= -0.027276 Density= 0.322691 ETOT(band)= -0.348051 trlgG= -0.434525 logG= -0.027276 TDE= -0.170253 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005535 tlogG= -0.023371 logG= -0.028906 Density= 0.214987 ETOT(band)= -0.233400 trlgG= -0.293059 logG= -0.028906 TDE= -0.170968 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005472 logG= -0.006721 Density= 0.081154 ETOT(band)= -0.086372 trlgG= -0.107497 logG= -0.006721 TDE= -0.042574 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005067 tlogG= -0.022920 logG= -0.027987 Density= 0.214677 ETOT(band)= -0.232446 trlgG= -0.290031 logG= -0.027987 TDE= -0.170436 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.021897 logG= -0.027073 Density= 0.216503 ETOT(band)= -0.230332 trlgG= -0.286825 logG= -0.027073 TDE= -0.170231 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004891 tlogG= -0.022344 logG= -0.027235 Density= 0.214907 ETOT(band)= -0.231999 trlgG= -0.289431 logG= -0.027235 TDE= -0.170259 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005043 tlogG= -0.021224 logG= -0.026267 Density= 0.216222 ETOT(band)= -0.230085 trlgG= -0.285877 logG= -0.026267 TDE= -0.169806 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010010 tlogG= -0.044658 logG= -0.054668 Density= 0.431363 ETOT(band)= -0.462175 trlgG= -0.575417 logG= -0.054668 TDE= -0.340425 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.885783022648 eV TrLogG= -407.666589624426 eV Ratio to renormalize= 1.000590640131 rho-rho_expected=-0.012986412596 nargs= 1 argi=dmft2.def 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964683497532747 0.940446447961922 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005104 tlogG= -0.023659 logG= -0.028763 logGD-logG0= -0.004812 tlogG= -0.023705 logG= -0.028517 Density= 0.106920 ETOT(band)= -0.116956 trlgG= -0.146468 logG= -0.028763 TDE= -0.170614 Density= 0.106917 ETOT(band)= -0.116867 trlgG= -0.146659 logG= -0.028517 TDE= -0.171050 logGD-logG0= -0.005213 tlogG= -0.022893 logG= -0.028106 Density= 0.107557 ETOT(band)= -0.116321 trlgG= -0.145510 logG= -0.028106 TDE= -0.170628 logGD-logG0= -0.005131 tlogG= -0.022753 logG= -0.027884 Density= 0.108188 ETOT(band)= -0.115897 trlgG= -0.145170 logG= -0.027884 TDE= -0.170822 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023909 logG= -0.028919 logGD-logG0= -0.004785 tlogG= -0.023685 logG= -0.028470 Density= 0.106539 ETOT(band)= -0.116985 trlgG= -0.146554 logG= -0.028470 TDE= -0.170805 Density= 0.106698 ETOT(band)= -0.117139 trlgG= -0.147082 logG= -0.028919 TDE= -0.170962 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005405 tlogG= -0.023214 logG= -0.028619 Density= 0.107624 ETOT(band)= -0.116570 trlgG= -0.146320 logG= -0.028619 TDE= -0.170959 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002512 tlogG= -0.010850 logG= -0.013362 Density= 0.054033 ETOT(band)= -0.057602 trlgG= -0.071626 logG= -0.013362 TDE= -0.085002 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000200 tlogG= -0.000853 logG= -0.001053 Density= 0.004540 ETOT(band)= -0.004734 trlgG= -0.005859 logG= -0.001053 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002654 tlogG= -0.012041 logG= -0.014696 Density= 0.053733 ETOT(band)= -0.058546 trlgG= -0.073771 logG= -0.014696 TDE= -0.085665 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002472 tlogG= -0.012091 logG= -0.014564 Density= 0.053555 ETOT(band)= -0.058558 trlgG= -0.073714 logG= -0.014564 TDE= -0.085652 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002383 tlogG= -0.011457 logG= -0.013840 Density= 0.053707 ETOT(band)= -0.058083 trlgG= -0.072586 logG= -0.013840 TDE= -0.085323 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002377 tlogG= -0.011893 logG= -0.014269 Density= 0.053532 ETOT(band)= -0.058414 trlgG= -0.073351 logG= -0.014269 TDE= -0.085572 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.008050 logG= -0.009490 logGD-logG0= -0.001520 tlogG= -0.007817 logG= -0.009337 Density= 0.035473 ETOT(band)= -0.038933 trlgG= -0.048664 logG= -0.009337 TDE= -0.056881 Density= 0.035293 ETOT(band)= -0.039085 trlgG= -0.049030 logG= -0.009490 TDE= -0.057004 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002609 tlogG= -0.011994 logG= -0.014603 Density= 0.054107 ETOT(band)= -0.058308 trlgG= -0.073633 logG= -0.014603 TDE= -0.085805 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.023970 logG= -0.029208 Density= 0.108169 ETOT(band)= -0.116641 trlgG= -0.147271 logG= -0.029208 TDE= -0.171590 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004427 tlogG= -0.024068 logG= -0.028495 logGD-logG0= -0.005250 tlogG= -0.023784 logG= -0.029034 Density= 0.108118 ETOT(band)= -0.116566 trlgG= -0.146992 logG= -0.029034 TDE= -0.171460 logGD-logG0= -0.005384 tlogG= -0.024089 logG= -0.029473 Density= 0.106059 ETOT(band)= -0.117191 trlgG= -0.146961 logG= -0.028495 TDE= -0.170949 Density= 0.107584 ETOT(band)= -0.117094 trlgG= -0.147688 logG= -0.029473 TDE= -0.171453 logGD-logG0= -0.005135 tlogG= -0.022477 logG= -0.027612 logGD-logG0= -0.005246 tlogG= -0.023450 logG= -0.028696 Density= 0.108071 ETOT(band)= -0.116404 trlgG= -0.146456 logG= -0.028696 TDE= -0.171239 logGD-logG0= -0.004651 tlogG= -0.024062 logG= -0.028713 logGD-logG0= -0.005416 tlogG= -0.023920 logG= -0.029336 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108143 ETOT(band)= -0.115760 trlgG= -0.144733 logG= -0.027612 TDE= -0.170636 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107693 ETOT(band)= -0.116960 trlgG= -0.147472 logG= -0.029336 TDE= -0.171428 Density= 0.106330 ETOT(band)= -0.117179 trlgG= -0.146970 logG= -0.028713 TDE= -0.170874 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.024111 logG= -0.029209 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107321 ETOT(band)= -0.117059 trlgG= -0.147309 logG= -0.029209 TDE= -0.171208 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004454 tlogG= -0.023991 logG= -0.028445 Density= 0.106111 ETOT(band)= -0.117147 trlgG= -0.146848 logG= -0.028445 TDE= -0.170912 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.022189 logG= -0.027241 Density= 0.108299 ETOT(band)= -0.115454 trlgG= -0.144125 logG= -0.027241 TDE= -0.170475 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.023222 logG= -0.027948 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023002 logG= -0.028206 Density= 0.106678 ETOT(band)= -0.116646 trlgG= -0.145639 logG= -0.027948 TDE= -0.170480 Density= 0.108075 ETOT(band)= -0.116134 trlgG= -0.145681 logG= -0.028206 TDE= -0.170956 logGD-logG0= -0.002678 tlogG= -0.011998 logG= -0.014676 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.022868 logG= -0.027833 Density= 0.107688 ETOT(band)= -0.116117 trlgG= -0.145097 logG= -0.027833 TDE= -0.170554 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053953 ETOT(band)= -0.058429 trlgG= -0.073754 logG= -0.014676 TDE= -0.085777 logGD-logG0= -0.005227 tlogG= -0.023625 logG= -0.028852 Density= 0.108143 ETOT(band)= -0.116450 trlgG= -0.146701 logG= -0.028852 TDE= -0.171363 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023236 logG= -0.028432 logGD-logG0= -0.005224 tlogG= -0.023892 logG= -0.029116 Density= 0.108189 ETOT(band)= -0.116576 trlgG= -0.147122 logG= -0.029116 TDE= -0.171543 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005391 tlogG= -0.023702 logG= -0.029093 Density= 0.107173 ETOT(band)= -0.117028 trlgG= -0.147019 logG= -0.029093 TDE= -0.170960 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108134 ETOT(band)= -0.116227 trlgG= -0.146037 logG= -0.028432 TDE= -0.171115 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023985 logG= -0.029319 Density= 0.107385 ETOT(band)= -0.117080 trlgG= -0.147414 logG= -0.029319 TDE= -0.171235 logGD-logG0= -0.005113 tlogG= -0.022426 logG= -0.027540 logGD-logG0= -0.004812 tlogG= -0.023006 logG= -0.027818 Density= 0.106813 ETOT(band)= -0.116515 trlgG= -0.145376 logG= -0.027818 TDE= -0.170414 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107575 ETOT(band)= -0.115988 trlgG= -0.144613 logG= -0.027540 TDE= -0.170307 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.023706 logG= -0.028640 Density= 0.107319 ETOT(band)= -0.116748 trlgG= -0.146567 logG= -0.028640 TDE= -0.171034 logGD-logG0= -0.005423 tlogG= -0.024154 logG= -0.029577 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107752 ETOT(band)= -0.117089 trlgG= -0.147877 logG= -0.029577 TDE= -0.171621 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004985 tlogG= -0.024088 logG= -0.029073 logGD-logG0= -0.005364 tlogG= -0.024079 logG= -0.029443 Density= 0.107887 ETOT(band)= -0.116934 trlgG= -0.147662 logG= -0.029443 TDE= -0.171607 Density= 0.106998 ETOT(band)= -0.117121 trlgG= -0.147336 logG= -0.029073 TDE= -0.171211 logGD-logG0= -0.004842 tlogG= -0.022870 logG= -0.027712 Density= 0.107238 ETOT(band)= -0.116262 trlgG= -0.145224 logG= -0.027712 TDE= -0.170578 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.024108 logG= -0.029497 Density= 0.107828 ETOT(band)= -0.117001 trlgG= -0.147751 logG= -0.029497 TDE= -0.171613 logGD-logG0= -0.005375 tlogG= -0.023891 logG= -0.029266 Density= 0.107856 ETOT(band)= -0.116828 trlgG= -0.147365 logG= -0.029266 TDE= -0.171472 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010751 tlogG= -0.048052 logG= -0.058803 Density= 0.214991 ETOT(band)= -0.234168 trlgG= -0.295119 logG= -0.058803 TDE= -0.342705 logGD-logG0= -0.010262 tlogG= -0.048066 logG= -0.058328 logGD-logG0= -0.009992 tlogG= -0.048281 logG= -0.058273 Density= 0.214415 ETOT(band)= -0.234146 trlgG= -0.294495 logG= -0.058328 TDE= -0.342270 Density= 0.214285 ETOT(band)= -0.234199 trlgG= -0.294746 logG= -0.058273 TDE= -0.342512 logGD-logG0= -0.005413 tlogG= -0.023600 logG= -0.029013 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107741 ETOT(band)= -0.116731 trlgG= -0.146950 logG= -0.029013 TDE= -0.171253 logGD-logG0= -0.009320 tlogG= -0.047665 logG= -0.056984 logGD-logG0= -0.009857 tlogG= -0.047197 logG= -0.057054 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009674 tlogG= -0.045797 logG= -0.055471 Density= 0.213650 ETOT(band)= -0.233793 trlgG= -0.293170 logG= -0.057054 TDE= -0.341840 Density= 0.212809 ETOT(band)= -0.234093 trlgG= -0.293241 logG= -0.056984 TDE= -0.341565 Density= 0.214900 ETOT(band)= -0.232357 trlgG= -0.290349 logG= -0.055471 TDE= -0.341221 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010138 tlogG= -0.047938 logG= -0.058076 Density= 0.213853 ETOT(band)= -0.234238 trlgG= -0.294435 logG= -0.058076 TDE= -0.342184 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.045627 logG= -0.055581 Density= 0.214246 ETOT(band)= -0.232707 trlgG= -0.290527 logG= -0.055581 TDE= -0.340966 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010023 tlogG= -0.047188 logG= -0.057210 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213661 ETOT(band)= -0.233837 trlgG= -0.292961 logG= -0.057210 TDE= -0.341481 logGD-logG0= -0.009751 tlogG= -0.047964 logG= -0.057714 logGD-logG0= -0.010669 tlogG= -0.048118 logG= -0.058787 Density= 0.213157 ETOT(band)= -0.234302 trlgG= -0.293887 logG= -0.057714 TDE= -0.341653 Density= 0.214954 ETOT(band)= -0.234176 trlgG= -0.295092 logG= -0.058787 TDE= -0.342674 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010781 tlogG= -0.047931 logG= -0.058712 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009630 tlogG= -0.047485 logG= -0.057114 Density= 0.215651 ETOT(band)= -0.233811 trlgG= -0.295027 logG= -0.058712 TDE= -0.343029 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010772 tlogG= -0.047458 logG= -0.058230 logGD-logG0= -0.010714 tlogG= -0.047784 logG= -0.058498 Density= 0.214194 ETOT(band)= -0.233623 trlgG= -0.293299 logG= -0.057114 TDE= -0.342179 Density= 0.214641 ETOT(band)= -0.234123 trlgG= -0.294581 logG= -0.058498 TDE= -0.342298 logGD-logG0= -0.010518 tlogG= -0.048017 logG= -0.058534 Density= 0.215351 ETOT(band)= -0.233663 trlgG= -0.294222 logG= -0.058230 TDE= -0.342558 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214957 ETOT(band)= -0.234031 trlgG= -0.294675 logG= -0.058534 TDE= -0.342513 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.045686 logG= -0.055745 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215032 ETOT(band)= -0.232432 trlgG= -0.290341 logG= -0.055745 TDE= -0.341004 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010579 tlogG= -0.047824 logG= -0.058403 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214540 ETOT(band)= -0.234117 trlgG= -0.294412 logG= -0.058403 TDE= -0.342175 logGD-logG0= -0.001724 tlogG= -0.007310 logG= -0.009034 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035824 ETOT(band)= -0.038584 trlgG= -0.047966 logG= -0.009034 TDE= -0.056660 logGD-logG0= -0.010381 tlogG= -0.047696 logG= -0.058077 Density= 0.213833 ETOT(band)= -0.234225 trlgG= -0.294187 logG= -0.058077 TDE= -0.341926 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010864 tlogG= -0.048183 logG= -0.059046 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215307 ETOT(band)= -0.234193 trlgG= -0.295557 logG= -0.059046 TDE= -0.343055 logGD-logG0= -0.010726 tlogG= -0.047983 logG= -0.058709 logGD-logG0= -0.010374 tlogG= -0.046449 logG= -0.056823 Density= 0.215099 ETOT(band)= -0.232995 trlgG= -0.291976 logG= -0.056823 TDE= -0.341595 logGD-logG0= -0.010814 tlogG= -0.046916 logG= -0.057729 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215779 ETOT(band)= -0.233739 trlgG= -0.295024 logG= -0.058709 TDE= -0.343093 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215313 ETOT(band)= -0.233386 trlgG= -0.293420 logG= -0.057729 TDE= -0.342239 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010608 tlogG= -0.047343 logG= -0.057951 Density= 0.214146 ETOT(band)= -0.234017 trlgG= -0.293662 logG= -0.057951 TDE= -0.341681 logGD-logG0= -0.005018 tlogG= -0.023899 logG= -0.028917 Density= 0.213672 ETOT(band)= -0.234065 trlgG= -0.293362 logG= -0.028917 TDE= -0.170803 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.022988 logG= -0.028263 Density= 0.216107 ETOT(band)= -0.232137 trlgG= -0.290941 logG= -0.028263 TDE= -0.170912 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002451 tlogG= -0.010436 logG= -0.012886 Density= 0.054347 ETOT(band)= -0.057084 trlgG= -0.070779 logG= -0.012886 TDE= -0.084786 logGD-logG0= -0.010800 tlogG= -0.047570 logG= -0.058370 Density= 0.215583 ETOT(band)= -0.233622 trlgG= -0.294461 logG= -0.058370 TDE= -0.342772 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009985 tlogG= -0.047261 logG= -0.057246 logGD-logG0= -0.004880 tlogG= -0.023263 logG= -0.028143 Density= 0.214360 ETOT(band)= -0.233584 trlgG= -0.293072 logG= -0.057246 TDE= -0.341902 Density= 0.213382 ETOT(band)= -0.233671 trlgG= -0.292581 logG= -0.028143 TDE= -0.170755 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.023855 logG= -0.028788 Density= 0.213457 ETOT(band)= -0.234204 trlgG= -0.294100 logG= -0.028788 TDE= -0.171059 logGD-logG0= -0.005269 tlogG= -0.023211 logG= -0.028480 Density= 0.214751 ETOT(band)= -0.233009 trlgG= -0.291574 logG= -0.028480 TDE= -0.170629 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004749 tlogG= -0.023389 logG= -0.028138 Density= 0.214066 ETOT(band)= -0.233428 trlgG= -0.292692 logG= -0.028138 TDE= -0.170919 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004839 tlogG= -0.023516 logG= -0.028356 Density= 0.106715 ETOT(band)= -0.116838 trlgG= -0.146124 logG= -0.028356 TDE= -0.170576 logGD-logG0= -0.010286 tlogG= -0.047189 logG= -0.057475 Density= 0.215034 ETOT(band)= -0.233397 trlgG= -0.292994 logG= -0.057475 TDE= -0.341929 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.021584 logG= -0.026584 Density= 0.108453 ETOT(band)= -0.114903 trlgG= -0.142995 logG= -0.026584 TDE= -0.170079 logGD-logG0= -0.005087 tlogG= -0.021894 logG= -0.026981 Density= 0.108263 ETOT(band)= -0.115270 trlgG= -0.143675 logG= -0.026981 TDE= -0.170268 logGD-logG0= -0.004919 tlogG= -0.021008 logG= -0.025927 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108648 ETOT(band)= -0.114315 trlgG= -0.141837 logG= -0.025927 TDE= -0.169675 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005534 tlogG= -0.023372 logG= -0.028907 Density= 0.214990 ETOT(band)= -0.233409 trlgG= -0.293070 logG= -0.028907 TDE= -0.170973 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005473 logG= -0.006721 Density= 0.081155 ETOT(band)= -0.086375 trlgG= -0.107501 logG= -0.006721 TDE= -0.042575 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005169 tlogG= -0.021836 logG= -0.027005 Density= 0.107729 ETOT(band)= -0.115559 trlgG= -0.143737 logG= -0.027005 TDE= -0.170042 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001656 tlogG= -0.006998 logG= -0.008654 Density= 0.036176 ETOT(band)= -0.038135 trlgG= -0.047305 logG= -0.008654 TDE= -0.056552 logGD-logG0= -0.005109 tlogG= -0.021713 logG= -0.026822 Density= 0.107871 ETOT(band)= -0.115367 trlgG= -0.143427 logG= -0.026822 TDE= -0.169986 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010212 tlogG= -0.043426 logG= -0.053638 Density= 0.216157 ETOT(band)= -0.230522 trlgG= -0.286830 logG= -0.053638 TDE= -0.340158 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001466 tlogG= -0.007971 logG= -0.009437 Density= 0.070828 ETOT(band)= -0.077969 trlgG= -0.097572 logG= -0.009437 TDE= -0.056966 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001301 tlogG= -0.005944 logG= -0.007245 Density= 0.080788 ETOT(band)= -0.087668 trlgG= -0.110497 logG= -0.007245 TDE= -0.042869 logGD-logG0= -0.004588 tlogG= -0.023603 logG= -0.028192 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212502 ETOT(band)= -0.234051 trlgG= -0.293097 logG= -0.028192 TDE= -0.170705 logGD-logG0= -0.005354 tlogG= -0.023820 logG= -0.029173 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215217 ETOT(band)= -0.233818 trlgG= -0.294526 logG= -0.029173 TDE= -0.171436 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004401 tlogG= -0.024148 logG= -0.028549 Density= 0.212055 ETOT(band)= -0.234432 trlgG= -0.294046 logG= -0.028549 TDE= -0.170988 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024020 logG= -0.029303 Density= 0.216237 ETOT(band)= -0.233393 trlgG= -0.294702 logG= -0.029303 TDE= -0.171606 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001210 tlogG= -0.005176 logG= -0.006386 Density= 0.062506 ETOT(band)= -0.067561 trlgG= -0.084311 logG= -0.006386 TDE= -0.042362 logGD-logG0= -0.001297 tlogG= -0.005861 logG= -0.007157 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080604 ETOT(band)= -0.087633 trlgG= -0.110300 logG= -0.007157 TDE= -0.042814 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.005624 logG= -0.006885 Density= 0.080793 ETOT(band)= -0.086988 trlgG= -0.108740 logG= -0.006885 TDE= -0.042673 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.022921 logG= -0.027988 Density= 0.214680 ETOT(band)= -0.232455 trlgG= -0.290042 logG= -0.027988 TDE= -0.170442 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023863 logG= -0.029037 Density= 0.215379 ETOT(band)= -0.233813 trlgG= -0.294630 logG= -0.029037 TDE= -0.171124 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004533 tlogG= -0.023757 logG= -0.028290 Density= 0.212970 ETOT(band)= -0.233642 trlgG= -0.292120 logG= -0.028290 TDE= -0.170790 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005753 logG= -0.007035 Density= 0.080592 ETOT(band)= -0.087418 trlgG= -0.109744 logG= -0.007035 TDE= -0.042749 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001613 tlogG= -0.006880 logG= -0.008493 logGD-logG0= -0.005320 tlogG= -0.024022 logG= -0.029342 Density= 0.215569 ETOT(band)= -0.233912 trlgG= -0.295181 logG= -0.029342 TDE= -0.171588 Density= 0.040825 ETOT(band)= -0.042683 trlgG= -0.052863 logG= -0.008493 TDE= -0.056466 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010886 tlogG= -0.048079 logG= -0.058965 Density= 0.323072 ETOT(band)= -0.351068 trlgG= -0.442901 logG= -0.058965 TDE= -0.343045 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001300 tlogG= -0.005989 logG= -0.007288 Density= 0.081016 ETOT(band)= -0.087571 trlgG= -0.110549 logG= -0.007288 TDE= -0.042899 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001605 tlogG= -0.007594 logG= -0.009199 Density= 0.071458 ETOT(band)= -0.077366 trlgG= -0.096272 logG= -0.009199 TDE= -0.056741 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004704 tlogG= -0.023907 logG= -0.028610 Density= 0.213166 ETOT(band)= -0.233918 trlgG= -0.292850 logG= -0.028610 TDE= -0.170793 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.048258 logG= -0.058733 Density= 0.429804 ETOT(band)= -0.468383 trlgG= -0.590101 logG= -0.058733 TDE= -0.342549 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.047890 logG= -0.057903 Density= 0.428903 ETOT(band)= -0.468043 trlgG= -0.588533 logG= -0.057903 TDE= -0.342273 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.023500 logG= -0.028850 Density= 0.215098 ETOT(band)= -0.233382 trlgG= -0.293262 logG= -0.028850 TDE= -0.171179 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010853 tlogG= -0.047765 logG= -0.058618 Density= 0.430517 ETOT(band)= -0.467635 trlgG= -0.589056 logG= -0.058618 TDE= -0.342691 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.024024 logG= -0.028895 Density= 0.321391 ETOT(band)= -0.351192 trlgG= -0.441875 logG= -0.028895 TDE= -0.171236 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010874 tlogG= -0.048059 logG= -0.058934 logGD-logG0= -0.004679 tlogG= -0.023989 logG= -0.028668 Density= 0.431098 ETOT(band)= -0.467861 trlgG= -0.590409 logG= -0.058934 TDE= -0.343062 Density= 0.212692 ETOT(band)= -0.234329 trlgG= -0.293846 logG= -0.028668 TDE= -0.170842 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.022458 logG= -0.027672 Density= 0.216251 ETOT(band)= -0.231338 trlgG= -0.288954 logG= -0.027672 TDE= -0.170577 logGD-logG0= -0.005177 tlogG= -0.023975 logG= -0.029152 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023435 logG= -0.028738 Density= 0.216080 ETOT(band)= -0.232711 trlgG= -0.292557 logG= -0.028738 TDE= -0.171199 Density= 0.214224 ETOT(band)= -0.234151 trlgG= -0.294270 logG= -0.029152 TDE= -0.171074 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023977 logG= -0.029253 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216270 ETOT(band)= -0.233289 trlgG= -0.294470 logG= -0.029253 TDE= -0.171579 logGD-logG0= -0.010596 tlogG= -0.047827 logG= -0.058423 logGD-logG0= -0.005296 tlogG= -0.023782 logG= -0.029078 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324173 ETOT(band)= -0.349995 trlgG= -0.441552 logG= -0.058423 TDE= -0.343051 Density= 0.216160 ETOT(band)= -0.233091 trlgG= -0.293765 logG= -0.029078 TDE= -0.171438 logGD-logG0= -0.005348 tlogG= -0.024102 logG= -0.029450 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322887 ETOT(band)= -0.351277 trlgG= -0.443205 logG= -0.029450 TDE= -0.171435 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005414 tlogG= -0.024143 logG= -0.029557 logGD-logG0= -0.005117 tlogG= -0.024175 logG= -0.029292 Density= 0.215602 ETOT(band)= -0.234068 trlgG= -0.295597 logG= -0.029557 TDE= -0.171621 Density= 0.214625 ETOT(band)= -0.234223 trlgG= -0.294885 logG= -0.029292 TDE= -0.171247 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010371 tlogG= -0.045665 logG= -0.056036 Density= 0.323867 ETOT(band)= -0.348026 trlgG= -0.435496 logG= -0.056036 TDE= -0.341478 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005044 tlogG= -0.022310 logG= -0.027355 Density= 0.214143 ETOT(band)= -0.232496 trlgG= -0.289796 logG= -0.027355 TDE= -0.170177 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010642 tlogG= -0.047276 logG= -0.057918 Density= 0.323955 ETOT(band)= -0.349627 trlgG= -0.440203 logG= -0.057918 TDE= -0.342659 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004781 tlogG= -0.023386 logG= -0.028167 Density= 0.321461 ETOT(band)= -0.350143 trlgG= -0.439296 logG= -0.028167 TDE= -0.170911 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.022490 logG= -0.027504 Density= 0.214905 ETOT(band)= -0.231718 trlgG= -0.288396 logG= -0.027504 TDE= -0.170191 logGD-logG0= -0.005127 tlogG= -0.023262 logG= -0.028389 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321528 ETOT(band)= -0.350650 trlgG= -0.440149 logG= -0.028389 TDE= -0.170865 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.024181 logG= -0.029323 Density= 0.322266 ETOT(band)= -0.351304 trlgG= -0.442553 logG= -0.029323 TDE= -0.171242 logGD-logG0= -0.001228 tlogG= -0.005312 logG= -0.006540 Density= 0.081512 ETOT(band)= -0.085707 trlgG= -0.106340 logG= -0.006540 TDE= -0.042464 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009878 tlogG= -0.046641 logG= -0.056519 Density= 0.322530 ETOT(band)= -0.349096 trlgG= -0.436933 logG= -0.056519 TDE= -0.341631 logGD-logG0= -0.005462 tlogG= -0.023919 logG= -0.029380 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215528 ETOT(band)= -0.233814 trlgG= -0.294908 logG= -0.029380 TDE= -0.171444 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004838 tlogG= -0.024025 logG= -0.028863 Density= 0.214004 ETOT(band)= -0.234142 trlgG= -0.294488 logG= -0.028863 TDE= -0.171241 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009160 tlogG= -0.048129 logG= -0.057289 Density= 0.425302 ETOT(band)= -0.468456 trlgG= -0.587178 logG= -0.057289 TDE= -0.341799 logGD-logG0= -0.010640 tlogG= -0.046455 logG= -0.057095 Density= 0.323820 ETOT(band)= -0.348971 trlgG= -0.438117 logG= -0.057095 TDE= -0.342102 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005447 tlogG= -0.023978 logG= -0.029425 Density= 0.323485 ETOT(band)= -0.350740 trlgG= -0.442643 logG= -0.029425 TDE= -0.171493 logGD-logG0= -0.005510 tlogG= -0.023705 logG= -0.029215 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215291 ETOT(band)= -0.233666 trlgG= -0.294210 logG= -0.029215 TDE= -0.171267 logGD-logG0= -0.009648 tlogG= -0.046746 logG= -0.056394 logGD-logG0= -0.009837 tlogG= -0.047877 logG= -0.057714 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427805 ETOT(band)= -0.468268 trlgG= -0.588561 logG= -0.057714 TDE= -0.342287 Density= 0.427659 ETOT(band)= -0.466241 trlgG= -0.582554 logG= -0.056394 TDE= -0.341240 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010341 tlogG= -0.048185 logG= -0.058527 Density= 0.429068 ETOT(band)= -0.468379 trlgG= -0.589332 logG= -0.058527 TDE= -0.342333 logGD-logG0= -0.009697 tlogG= -0.046644 logG= -0.056342 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427863 ETOT(band)= -0.466963 trlgG= -0.585164 logG= -0.056342 TDE= -0.341656 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009852 tlogG= -0.047683 logG= -0.057534 Density= 0.426440 ETOT(band)= -0.468482 trlgG= -0.587696 logG= -0.057534 TDE= -0.341818 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047993 logG= -0.058504 logGD-logG0= -0.010685 tlogG= -0.048107 logG= -0.058792 Density= 0.429910 ETOT(band)= -0.468213 trlgG= -0.589772 logG= -0.058792 TDE= -0.342674 logGD-logG0= -0.010453 tlogG= -0.047704 logG= -0.058157 Density= 0.428059 ETOT(band)= -0.468251 trlgG= -0.587893 logG= -0.058157 TDE= -0.341928 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428972 ETOT(band)= -0.468341 trlgG= -0.588978 logG= -0.058504 TDE= -0.342174 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010127 tlogG= -0.046437 logG= -0.056564 logGD-logG0= -0.009805 tlogG= -0.047802 logG= -0.057607 Density= 0.429297 ETOT(band)= -0.465668 trlgG= -0.582227 logG= -0.056564 TDE= -0.341351 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426944 ETOT(band)= -0.468031 trlgG= -0.586546 logG= -0.057607 TDE= -0.341520 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.021899 logG= -0.027073 Density= 0.216506 ETOT(band)= -0.230340 trlgG= -0.286835 logG= -0.027073 TDE= -0.170237 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010512 tlogG= -0.046967 logG= -0.057479 Density= 0.429646 ETOT(band)= -0.466584 trlgG= -0.584928 logG= -0.057479 TDE= -0.341642 logGD-logG0= -0.010950 tlogG= -0.047734 logG= -0.058684 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430858 ETOT(band)= -0.467578 trlgG= -0.589414 logG= -0.058684 TDE= -0.342798 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010194 tlogG= -0.047596 logG= -0.057790 Density= 0.428375 ETOT(band)= -0.467595 trlgG= -0.586930 logG= -0.057790 TDE= -0.341972 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010912 tlogG= -0.047304 logG= -0.058216 Density= 0.430247 ETOT(band)= -0.467211 trlgG= -0.587583 logG= -0.058216 TDE= -0.342307 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010437 tlogG= -0.047606 logG= -0.058043 Density= 0.429776 ETOT(band)= -0.467232 trlgG= -0.586860 logG= -0.058043 TDE= -0.342087 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.022345 logG= -0.027276 Density= 0.322695 ETOT(band)= -0.348064 trlgG= -0.434541 logG= -0.027276 TDE= -0.170258 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021320 logG= -0.026321 Density= 0.162558 ETOT(band)= -0.173026 trlgG= -0.216179 logG= -0.026321 TDE= -0.169891 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005084 tlogG= -0.021370 logG= -0.026454 Density= 0.216899 ETOT(band)= -0.229232 trlgG= -0.284629 logG= -0.026454 TDE= -0.169905 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010160 tlogG= -0.044658 logG= -0.054818 Density= 0.324108 ETOT(band)= -0.346756 trlgG= -0.432482 logG= -0.054818 TDE= -0.340799 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.022345 logG= -0.027235 Density= 0.214910 ETOT(band)= -0.232008 trlgG= -0.289442 logG= -0.027235 TDE= -0.170264 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001724 tlogG= -0.007123 logG= -0.008848 Density= 0.072190 ETOT(band)= -0.076497 trlgG= -0.094957 logG= -0.008848 TDE= -0.056627 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005042 tlogG= -0.021225 logG= -0.026267 Density= 0.216225 ETOT(band)= -0.230093 trlgG= -0.285887 logG= -0.026267 TDE= -0.169811 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010008 tlogG= -0.044661 logG= -0.054669 Density= 0.431369 ETOT(band)= -0.462192 trlgG= -0.575438 logG= -0.054669 TDE= -0.340436 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.897296619288 eV TrLogG= -407.684288100631 eV Ratio to renormalize= 1.000575997429 rho-rho_expected=-0.012664648629 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 79) Finished k-point number 160 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964698977643007 0.940495478652400 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002376 tlogG= -0.011895 logG= -0.014270 Density= 0.053534 ETOT(band)= -0.058419 trlgG= -0.073358 logG= -0.014270 TDE= -0.085579 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.022193 logG= -0.027243 Density= 0.108303 ETOT(band)= -0.115463 trlgG= -0.144137 logG= -0.027243 TDE= -0.170488 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.023662 logG= -0.028765 Density= 0.106923 ETOT(band)= -0.116967 trlgG= -0.146482 logG= -0.028765 TDE= -0.170628 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.022757 logG= -0.027886 Density= 0.108193 ETOT(band)= -0.115906 trlgG= -0.145182 logG= -0.027886 TDE= -0.170835 logGD-logG0= -0.005194 tlogG= -0.023240 logG= -0.028433 logGD-logG0= -0.004784 tlogG= -0.023688 logG= -0.028472 Density= 0.106542 ETOT(band)= -0.116996 trlgG= -0.146569 logG= -0.028472 TDE= -0.170819 Density= 0.108139 ETOT(band)= -0.116236 trlgG= -0.146050 logG= -0.028433 TDE= -0.171128 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.023217 logG= -0.028621 Density= 0.107628 ETOT(band)= -0.116579 trlgG= -0.146333 logG= -0.028621 TDE= -0.170972 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023225 logG= -0.027950 Density= 0.106680 ETOT(band)= -0.116657 trlgG= -0.145654 logG= -0.027950 TDE= -0.170494 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.022430 logG= -0.027541 Density= 0.107578 ETOT(band)= -0.115998 trlgG= -0.144626 logG= -0.027541 TDE= -0.170320 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004838 tlogG= -0.023520 logG= -0.028358 Density= 0.106718 ETOT(band)= -0.116848 trlgG= -0.146138 logG= -0.028358 TDE= -0.170589 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002511 tlogG= -0.010852 logG= -0.013363 Density= 0.054035 ETOT(band)= -0.057607 trlgG= -0.071632 logG= -0.013363 TDE= -0.085008 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002449 tlogG= -0.010437 logG= -0.012887 Density= 0.054349 ETOT(band)= -0.057089 trlgG= -0.070785 logG= -0.012887 TDE= -0.084793 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002654 tlogG= -0.012043 logG= -0.014696 Density= 0.053735 ETOT(band)= -0.058551 trlgG= -0.073778 logG= -0.014696 TDE= -0.085672 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002471 tlogG= -0.012093 logG= -0.014564 Density= 0.053557 ETOT(band)= -0.058563 trlgG= -0.073720 logG= -0.014564 TDE= -0.085658 logGD-logG0= -0.000200 tlogG= -0.000853 logG= -0.001053 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004541 ETOT(band)= -0.004734 trlgG= -0.005860 logG= -0.001053 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001655 tlogG= -0.006999 logG= -0.008655 Density= 0.036177 ETOT(band)= -0.038138 trlgG= -0.047309 logG= -0.008655 TDE= -0.056556 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002382 tlogG= -0.011459 logG= -0.013841 Density= 0.053709 ETOT(band)= -0.058088 trlgG= -0.072593 logG= -0.013841 TDE= -0.085329 logGD-logG0= -0.001520 tlogG= -0.007818 logG= -0.009338 Density= 0.035473 ETOT(band)= -0.038937 trlgG= -0.048669 logG= -0.009338 TDE= -0.056885 logGD-logG0= -0.001440 tlogG= -0.008051 logG= -0.009491 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035294 ETOT(band)= -0.039089 trlgG= -0.049035 logG= -0.009491 TDE= -0.057009 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.022481 logG= -0.027613 Density= 0.108147 ETOT(band)= -0.115770 trlgG= -0.144746 logG= -0.027613 TDE= -0.170649 logGD-logG0= -0.002607 tlogG= -0.011996 logG= -0.014603 Density= 0.054110 ETOT(band)= -0.058313 trlgG= -0.073639 logG= -0.014603 TDE= -0.085812 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.023788 logG= -0.029035 Density= 0.108123 ETOT(band)= -0.116575 trlgG= -0.147005 logG= -0.029035 TDE= -0.171474 logGD-logG0= -0.005243 tlogG= -0.023454 logG= -0.028697 Density= 0.108075 ETOT(band)= -0.116413 trlgG= -0.146469 logG= -0.028697 TDE= -0.171253 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004426 tlogG= -0.024072 logG= -0.028497 logGD-logG0= -0.005382 tlogG= -0.024092 logG= -0.029474 Density= 0.107588 ETOT(band)= -0.117104 trlgG= -0.147701 logG= -0.029474 TDE= -0.171467 Density= 0.106061 ETOT(band)= -0.117202 trlgG= -0.146977 logG= -0.028497 TDE= -0.170964 logGD-logG0= -0.004650 tlogG= -0.024066 logG= -0.028715 logGD-logG0= -0.005201 tlogG= -0.023006 logG= -0.028207 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108079 ETOT(band)= -0.116143 trlgG= -0.145694 logG= -0.028207 TDE= -0.170969 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106333 ETOT(band)= -0.117190 trlgG= -0.146985 logG= -0.028715 TDE= -0.170888 logGD-logG0= -0.005234 tlogG= -0.023974 logG= -0.029209 Density= 0.108173 ETOT(band)= -0.116650 trlgG= -0.147283 logG= -0.029209 TDE= -0.171604 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.024114 logG= -0.029211 Density= 0.107325 ETOT(band)= -0.117069 trlgG= -0.147323 logG= -0.029211 TDE= -0.171222 logGD-logG0= -0.004998 tlogG= -0.021587 logG= -0.026585 Density= 0.108457 ETOT(band)= -0.114913 trlgG= -0.143007 logG= -0.026585 TDE= -0.170092 logGD-logG0= -0.004452 tlogG= -0.023995 logG= -0.028447 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005389 tlogG= -0.023706 logG= -0.029095 Density= 0.106113 ETOT(band)= -0.117159 trlgG= -0.146863 logG= -0.028447 TDE= -0.170926 Density= 0.107177 ETOT(band)= -0.117038 trlgG= -0.147033 logG= -0.029095 TDE= -0.170974 logGD-logG0= -0.005414 tlogG= -0.023923 logG= -0.029337 Density= 0.107697 ETOT(band)= -0.116969 trlgG= -0.147485 logG= -0.029337 TDE= -0.171442 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.023710 logG= -0.028642 Density= 0.107323 ETOT(band)= -0.116758 trlgG= -0.146581 logG= -0.028642 TDE= -0.171048 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023989 logG= -0.029320 Density= 0.107389 ETOT(band)= -0.117090 trlgG= -0.147428 logG= -0.029320 TDE= -0.171249 logGD-logG0= -0.005221 tlogG= -0.023896 logG= -0.029117 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023629 logG= -0.028854 Density= 0.108148 ETOT(band)= -0.116459 trlgG= -0.146713 logG= -0.028854 TDE= -0.171377 logGD-logG0= -0.004810 tlogG= -0.023709 logG= -0.028519 Density= 0.108194 ETOT(band)= -0.116585 trlgG= -0.147134 logG= -0.029117 TDE= -0.171557 logGD-logG0= -0.005010 tlogG= -0.023911 logG= -0.028921 logGD-logG0= -0.004811 tlogG= -0.023009 logG= -0.027820 Density= 0.106816 ETOT(band)= -0.116526 trlgG= -0.145390 logG= -0.027820 TDE= -0.170428 logGD-logG0= -0.004963 tlogG= -0.022871 logG= -0.027835 Density= 0.107692 ETOT(band)= -0.116126 trlgG= -0.145111 logG= -0.027835 TDE= -0.170567 Density= 0.106920 ETOT(band)= -0.116878 trlgG= -0.146673 logG= -0.028519 TDE= -0.171063 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106702 ETOT(band)= -0.117150 trlgG= -0.147096 logG= -0.028921 TDE= -0.170976 logGD-logG0= -0.002677 tlogG= -0.012000 logG= -0.014677 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053955 ETOT(band)= -0.058434 trlgG= -0.073761 logG= -0.014677 TDE= -0.085784 logGD-logG0= -0.005420 tlogG= -0.024158 logG= -0.029578 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107756 ETOT(band)= -0.117099 trlgG= -0.147890 logG= -0.029578 TDE= -0.171635 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.022896 logG= -0.028108 Density= 0.107561 ETOT(band)= -0.116331 trlgG= -0.145523 logG= -0.028108 TDE= -0.170641 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.024091 logG= -0.029075 Density= 0.107001 ETOT(band)= -0.117131 trlgG= -0.147350 logG= -0.029075 TDE= -0.171225 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.024112 logG= -0.029499 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107833 ETOT(band)= -0.117011 trlgG= -0.147764 logG= -0.029499 TDE= -0.171626 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.022874 logG= -0.027714 Density= 0.107241 ETOT(band)= -0.116272 trlgG= -0.145238 logG= -0.027714 TDE= -0.170592 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023895 logG= -0.029267 Density= 0.107861 ETOT(band)= -0.116837 trlgG= -0.147378 logG= -0.029267 TDE= -0.171486 logGD-logG0= -0.005361 tlogG= -0.024083 logG= -0.029445 Density= 0.107892 ETOT(band)= -0.116943 trlgG= -0.147675 logG= -0.029445 TDE= -0.171621 logGD-logG0= -0.005166 tlogG= -0.021839 logG= -0.027006 Density= 0.107732 ETOT(band)= -0.115569 trlgG= -0.143750 logG= -0.027006 TDE= -0.170055 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009989 tlogG= -0.048289 logG= -0.058277 Density= 0.214292 ETOT(band)= -0.234220 trlgG= -0.294774 logG= -0.058277 TDE= -0.342539 logGD-logG0= -0.009853 tlogG= -0.047205 logG= -0.057058 Density= 0.213656 ETOT(band)= -0.233814 trlgG= -0.293198 logG= -0.057058 TDE= -0.341868 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009950 tlogG= -0.045635 logG= -0.055585 Density= 0.214252 ETOT(band)= -0.232728 trlgG= -0.290555 logG= -0.055585 TDE= -0.340993 logGD-logG0= -0.010134 tlogG= -0.047946 logG= -0.058080 Density= 0.213860 ETOT(band)= -0.234259 trlgG= -0.294463 logG= -0.058080 TDE= -0.342211 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009317 tlogG= -0.047671 logG= -0.056989 Density= 0.212814 ETOT(band)= -0.234115 trlgG= -0.293271 logG= -0.056989 TDE= -0.341593 logGD-logG0= -0.010666 tlogG= -0.048125 logG= -0.058791 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214963 ETOT(band)= -0.234196 trlgG= -0.295119 logG= -0.058791 TDE= -0.342702 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.047970 logG= -0.057719 Density= 0.213163 ETOT(band)= -0.234324 trlgG= -0.293916 logG= -0.057719 TDE= -0.341681 logGD-logG0= -0.009670 tlogG= -0.045804 logG= -0.055474 logGD-logG0= -0.010021 tlogG= -0.047193 logG= -0.057214 Density= 0.214907 ETOT(band)= -0.232377 trlgG= -0.290376 logG= -0.055474 TDE= -0.341248 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213668 ETOT(band)= -0.233858 trlgG= -0.292989 logG= -0.057214 TDE= -0.341509 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010515 tlogG= -0.048023 logG= -0.058538 logGD-logG0= -0.010575 tlogG= -0.047831 logG= -0.058406 Density= 0.214548 ETOT(band)= -0.234137 trlgG= -0.294440 logG= -0.058406 TDE= -0.342203 logGD-logG0= -0.010711 tlogG= -0.047791 logG= -0.058502 Density= 0.214965 ETOT(band)= -0.234051 trlgG= -0.294703 logG= -0.058538 TDE= -0.342540 Density= 0.214649 ETOT(band)= -0.234143 trlgG= -0.294609 logG= -0.058502 TDE= -0.342326 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023604 logG= -0.029014 logGD-logG0= -0.009626 tlogG= -0.047492 logG= -0.057118 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107745 ETOT(band)= -0.116741 trlgG= -0.146963 logG= -0.029014 TDE= -0.171266 Density= 0.214201 ETOT(band)= -0.233644 trlgG= -0.293327 logG= -0.057118 TDE= -0.342206 logGD-logG0= -0.010055 tlogG= -0.045693 logG= -0.055748 Density= 0.215039 ETOT(band)= -0.232452 trlgG= -0.290367 logG= -0.055748 TDE= -0.341031 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010748 tlogG= -0.048059 logG= -0.058806 Density= 0.215000 ETOT(band)= -0.234187 trlgG= -0.295146 logG= -0.058806 TDE= -0.342733 logGD-logG0= -0.010258 tlogG= -0.048074 logG= -0.058332 Density= 0.214423 ETOT(band)= -0.234166 trlgG= -0.294522 logG= -0.058332 TDE= -0.342297 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010378 tlogG= -0.047703 logG= -0.058080 Density= 0.213841 ETOT(band)= -0.234246 trlgG= -0.294215 logG= -0.058080 TDE= -0.341953 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010371 tlogG= -0.046455 logG= -0.056826 logGD-logG0= -0.010720 tlogG= -0.047992 logG= -0.058712 Density= 0.215106 ETOT(band)= -0.233015 trlgG= -0.292003 logG= -0.056826 TDE= -0.341622 Density= 0.215788 ETOT(band)= -0.233757 trlgG= -0.295050 logG= -0.058712 TDE= -0.343121 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010606 tlogG= -0.047349 logG= -0.057955 logGD-logG0= -0.010795 tlogG= -0.047579 logG= -0.058373 Density= 0.215592 ETOT(band)= -0.233641 trlgG= -0.294488 logG= -0.058373 TDE= -0.342800 Density= 0.214153 ETOT(band)= -0.234038 trlgG= -0.293690 logG= -0.057955 TDE= -0.341709 logGD-logG0= -0.010811 tlogG= -0.046922 logG= -0.057732 Density= 0.215321 ETOT(band)= -0.233405 trlgG= -0.293447 logG= -0.057732 TDE= -0.342266 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010769 tlogG= -0.047464 logG= -0.058233 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215359 ETOT(band)= -0.233682 trlgG= -0.294248 logG= -0.058233 TDE= -0.342586 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010861 tlogG= -0.048189 logG= -0.059050 Density= 0.215316 ETOT(band)= -0.234213 trlgG= -0.295584 logG= -0.059050 TDE= -0.343083 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010775 tlogG= -0.047940 logG= -0.058716 Density= 0.215660 ETOT(band)= -0.233830 trlgG= -0.295053 logG= -0.058716 TDE= -0.343056 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009981 tlogG= -0.047269 logG= -0.057250 Density= 0.214368 ETOT(band)= -0.233604 trlgG= -0.293099 logG= -0.057250 TDE= -0.341929 logGD-logG0= -0.010283 tlogG= -0.047196 logG= -0.057478 Density= 0.215042 ETOT(band)= -0.233416 trlgG= -0.293021 logG= -0.057478 TDE= -0.341956 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001723 tlogG= -0.007311 logG= -0.009034 Density= 0.035825 ETOT(band)= -0.038587 trlgG= -0.047971 logG= -0.009034 TDE= -0.056664 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005084 tlogG= -0.021898 logG= -0.026982 Density= 0.108267 ETOT(band)= -0.115279 trlgG= -0.143687 logG= -0.026982 TDE= -0.170281 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004916 tlogG= -0.021012 logG= -0.025928 Density= 0.108653 ETOT(band)= -0.114324 trlgG= -0.141849 logG= -0.025928 TDE= -0.169688 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005106 tlogG= -0.021716 logG= -0.026823 Density= 0.107875 ETOT(band)= -0.115376 trlgG= -0.143440 logG= -0.026823 TDE= -0.169999 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010208 tlogG= -0.043432 logG= -0.053640 Density= 0.216164 ETOT(band)= -0.230541 trlgG= -0.286855 logG= -0.053640 TDE= -0.340183 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001281 tlogG= -0.005754 logG= -0.007035 Density= 0.080595 ETOT(band)= -0.087425 trlgG= -0.109754 logG= -0.007035 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.022462 logG= -0.027674 Density= 0.216259 ETOT(band)= -0.231357 trlgG= -0.288979 logG= -0.027674 TDE= -0.170590 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.023901 logG= -0.028919 Density= 0.213679 ETOT(band)= -0.234086 trlgG= -0.293391 logG= -0.028919 TDE= -0.170817 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.022992 logG= -0.028264 Density= 0.216115 ETOT(band)= -0.232155 trlgG= -0.290966 logG= -0.028264 TDE= -0.170925 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023439 logG= -0.028740 Density= 0.216088 ETOT(band)= -0.232730 trlgG= -0.292583 logG= -0.028740 TDE= -0.171212 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.023267 logG= -0.028145 Density= 0.213388 ETOT(band)= -0.233692 trlgG= -0.292610 logG= -0.028145 TDE= -0.170769 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.023910 logG= -0.028613 Density= 0.213171 ETOT(band)= -0.233940 trlgG= -0.292879 logG= -0.028613 TDE= -0.170807 logGD-logG0= -0.004532 tlogG= -0.023760 logG= -0.028292 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005533 tlogG= -0.023375 logG= -0.028908 Density= 0.212976 ETOT(band)= -0.233664 trlgG= -0.292149 logG= -0.028292 TDE= -0.170804 Density= 0.214998 ETOT(band)= -0.233428 trlgG= -0.293097 logG= -0.028908 TDE= -0.170987 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.022924 logG= -0.027990 Density= 0.214686 ETOT(band)= -0.232475 trlgG= -0.290069 logG= -0.027990 TDE= -0.170455 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005313 logG= -0.006541 Density= 0.081515 ETOT(band)= -0.085713 trlgG= -0.106349 logG= -0.006541 TDE= -0.042467 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001248 tlogG= -0.005474 logG= -0.006721 Density= 0.081158 ETOT(band)= -0.086382 trlgG= -0.107510 logG= -0.006721 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001724 tlogG= -0.007125 logG= -0.008848 Density= 0.072192 ETOT(band)= -0.076503 trlgG= -0.094965 logG= -0.008848 TDE= -0.056631 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.022493 logG= -0.027506 Density= 0.214911 ETOT(band)= -0.231738 trlgG= -0.288423 logG= -0.027506 TDE= -0.170204 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.023824 logG= -0.029175 Density= 0.215226 ETOT(band)= -0.233837 trlgG= -0.294552 logG= -0.029175 TDE= -0.171449 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.021903 logG= -0.027074 Density= 0.216514 ETOT(band)= -0.230359 trlgG= -0.286859 logG= -0.027074 TDE= -0.170250 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001604 tlogG= -0.007595 logG= -0.009199 Density= 0.071460 ETOT(band)= -0.077373 trlgG= -0.096282 logG= -0.009199 TDE= -0.056746 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.024024 logG= -0.029305 Density= 0.216246 ETOT(band)= -0.233411 trlgG= -0.294727 logG= -0.029305 TDE= -0.171619 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001300 tlogG= -0.005945 logG= -0.007245 Density= 0.080791 ETOT(band)= -0.087675 trlgG= -0.110507 logG= -0.007245 TDE= -0.042872 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001296 tlogG= -0.005862 logG= -0.007157 Density= 0.080607 ETOT(band)= -0.087640 trlgG= -0.110310 logG= -0.007157 TDE= -0.042818 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.023866 logG= -0.029038 Density= 0.215387 ETOT(band)= -0.233833 trlgG= -0.294657 logG= -0.029038 TDE= -0.171138 logGD-logG0= -0.001466 tlogG= -0.007972 logG= -0.009438 Density= 0.070829 ETOT(band)= -0.077976 trlgG= -0.097582 logG= -0.009438 TDE= -0.056970 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.005625 logG= -0.006886 Density= 0.080796 ETOT(band)= -0.086996 trlgG= -0.108750 logG= -0.006886 TDE= -0.042676 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023266 logG= -0.028391 Density= 0.321539 ETOT(band)= -0.350680 trlgG= -0.440190 logG= -0.028391 TDE= -0.170879 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009874 tlogG= -0.046649 logG= -0.056523 Density= 0.322540 ETOT(band)= -0.349125 trlgG= -0.436973 logG= -0.056523 TDE= -0.341658 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.024026 logG= -0.029343 Density= 0.215578 ETOT(band)= -0.233931 trlgG= -0.295208 logG= -0.029343 TDE= -0.171602 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004400 tlogG= -0.024152 logG= -0.028552 Density= 0.212060 ETOT(band)= -0.234455 trlgG= -0.294077 logG= -0.028552 TDE= -0.171002 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010507 tlogG= -0.048001 logG= -0.058508 Density= 0.428987 ETOT(band)= -0.468381 trlgG= -0.589034 logG= -0.058508 TDE= -0.342202 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005177 logG= -0.006386 logGD-logG0= -0.001299 tlogG= -0.005990 logG= -0.007289 Density= 0.062507 ETOT(band)= -0.067567 trlgG= -0.084319 logG= -0.006386 TDE= -0.042365 Density= 0.081020 ETOT(band)= -0.087578 trlgG= -0.110559 logG= -0.007289 TDE= -0.042902 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010471 tlogG= -0.048265 logG= -0.058736 logGD-logG0= -0.010010 tlogG= -0.047898 logG= -0.057907 Density= 0.428918 ETOT(band)= -0.468084 trlgG= -0.588587 logG= -0.057907 TDE= -0.342301 logGD-logG0= -0.004587 tlogG= -0.023607 logG= -0.028194 Density= 0.212507 ETOT(band)= -0.234073 trlgG= -0.293127 logG= -0.028194 TDE= -0.170719 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429821 ETOT(band)= -0.468423 trlgG= -0.590156 logG= -0.058736 TDE= -0.342577 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001612 tlogG= -0.006881 logG= -0.008493 Density= 0.040827 ETOT(band)= -0.042686 trlgG= -0.052867 logG= -0.008493 TDE= -0.056470 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005349 tlogG= -0.023503 logG= -0.028852 Density= 0.215106 ETOT(band)= -0.233402 trlgG= -0.293288 logG= -0.028852 TDE= -0.171192 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024028 logG= -0.028897 Density= 0.321403 ETOT(band)= -0.351223 trlgG= -0.441917 logG= -0.028897 TDE= -0.171250 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.024184 logG= -0.029325 Density= 0.322278 ETOT(band)= -0.351334 trlgG= -0.442594 logG= -0.029325 TDE= -0.171255 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023979 logG= -0.029154 logGD-logG0= -0.010590 tlogG= -0.047836 logG= -0.058426 Density= 0.324187 ETOT(band)= -0.350022 trlgG= -0.441590 logG= -0.058426 TDE= -0.343079 Density= 0.214231 ETOT(band)= -0.234171 trlgG= -0.294298 logG= -0.029154 TDE= -0.171088 logGD-logG0= -0.004678 tlogG= -0.023992 logG= -0.028670 Density= 0.212698 ETOT(band)= -0.234351 trlgG= -0.293875 logG= -0.028670 TDE= -0.170855 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.045671 logG= -0.056039 Density= 0.323879 ETOT(band)= -0.348055 trlgG= -0.435534 logG= -0.056039 TDE= -0.341504 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010637 tlogG= -0.047284 logG= -0.057921 Density= 0.323969 ETOT(band)= -0.349655 trlgG= -0.440241 logG= -0.057921 TDE= -0.342687 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023981 logG= -0.029254 logGD-logG0= -0.005411 tlogG= -0.024147 logG= -0.029558 Density= 0.216280 ETOT(band)= -0.233307 trlgG= -0.294494 logG= -0.029254 TDE= -0.171592 Density= 0.215611 ETOT(band)= -0.234087 trlgG= -0.295624 logG= -0.029558 TDE= -0.171635 logGD-logG0= -0.005115 tlogG= -0.024179 logG= -0.029294 Density= 0.214633 ETOT(band)= -0.234243 trlgG= -0.294913 logG= -0.029294 TDE= -0.171260 logGD-logG0= -0.010881 tlogG= -0.048087 logG= -0.058968 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323085 ETOT(band)= -0.351097 trlgG= -0.442941 logG= -0.058968 TDE= -0.343073 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023786 logG= -0.029080 Density= 0.216169 ETOT(band)= -0.233109 trlgG= -0.293790 logG= -0.029080 TDE= -0.171451 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.023859 logG= -0.028790 Density= 0.213463 ETOT(band)= -0.234226 trlgG= -0.294128 logG= -0.028790 TDE= -0.171073 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.024029 logG= -0.028865 logGD-logG0= -0.005347 tlogG= -0.024105 logG= -0.029452 Density= 0.214011 ETOT(band)= -0.234163 trlgG= -0.294516 logG= -0.028865 TDE= -0.171255 Density= 0.322900 ETOT(band)= -0.351306 trlgG= -0.443246 logG= -0.029452 TDE= -0.171448 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005459 tlogG= -0.023923 logG= -0.029382 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215537 ETOT(band)= -0.233833 trlgG= -0.294934 logG= -0.029382 TDE= -0.171458 logGD-logG0= -0.010635 tlogG= -0.046463 logG= -0.057098 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323832 ETOT(band)= -0.348999 trlgG= -0.438155 logG= -0.057098 TDE= -0.342129 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005444 tlogG= -0.023983 logG= -0.029426 logGD-logG0= -0.004747 tlogG= -0.023393 logG= -0.028140 Density= 0.323499 ETOT(band)= -0.350769 trlgG= -0.442682 logG= -0.029426 TDE= -0.171507 Density= 0.214073 ETOT(band)= -0.233449 trlgG= -0.292720 logG= -0.028140 TDE= -0.170932 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.023390 logG= -0.028168 Density= 0.321471 ETOT(band)= -0.350174 trlgG= -0.439337 logG= -0.028168 TDE= -0.170924 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023214 logG= -0.028482 Density= 0.214758 ETOT(band)= -0.233029 trlgG= -0.291601 logG= -0.028482 TDE= -0.170643 logGD-logG0= -0.009834 tlogG= -0.047884 logG= -0.057718 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427819 ETOT(band)= -0.468310 trlgG= -0.588618 logG= -0.057718 TDE= -0.342314 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009645 tlogG= -0.046753 logG= -0.056397 Density= 0.427671 ETOT(band)= -0.466283 trlgG= -0.582610 logG= -0.056397 TDE= -0.341268 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009158 tlogG= -0.048136 logG= -0.057294 Density= 0.425312 ETOT(band)= -0.468501 trlgG= -0.587237 logG= -0.057294 TDE= -0.341827 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.021324 logG= -0.026322 logGD-logG0= -0.010338 tlogG= -0.048193 logG= -0.058530 Density= 0.162565 ETOT(band)= -0.173040 trlgG= -0.216197 logG= -0.026322 TDE= -0.169904 Density= 0.429084 ETOT(band)= -0.468419 trlgG= -0.589386 logG= -0.058530 TDE= -0.342361 logGD-logG0= -0.009693 tlogG= -0.046652 logG= -0.056345 Density= 0.427876 ETOT(band)= -0.467005 trlgG= -0.585220 logG= -0.056345 TDE= -0.341683 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009850 tlogG= -0.047689 logG= -0.057539 Density= 0.426452 ETOT(band)= -0.468525 trlgG= -0.587755 logG= -0.057539 TDE= -0.341846 logGD-logG0= -0.010682 tlogG= -0.048114 logG= -0.058796 Density= 0.429927 ETOT(band)= -0.468252 trlgG= -0.589827 logG= -0.058796 TDE= -0.342702 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010450 tlogG= -0.047711 logG= -0.058161 logGD-logG0= -0.010850 tlogG= -0.047771 logG= -0.058622 Density= 0.428073 ETOT(band)= -0.468292 trlgG= -0.587948 logG= -0.058161 TDE= -0.341955 Density= 0.430534 ETOT(band)= -0.467674 trlgG= -0.589109 logG= -0.058622 TDE= -0.342719 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010123 tlogG= -0.046444 logG= -0.056568 Density= 0.429311 ETOT(band)= -0.465709 trlgG= -0.582281 logG= -0.056568 TDE= -0.341379 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.022314 logG= -0.027356 Density= 0.214149 ETOT(band)= -0.232517 trlgG= -0.289824 logG= -0.027356 TDE= -0.170191 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009804 tlogG= -0.047808 logG= -0.057612 Density= 0.426956 ETOT(band)= -0.468073 trlgG= -0.586603 logG= -0.057612 TDE= -0.341548 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010509 tlogG= -0.046974 logG= -0.057483 logGD-logG0= -0.010944 tlogG= -0.047743 logG= -0.058687 Density= 0.430875 ETOT(band)= -0.467616 trlgG= -0.589467 logG= -0.058687 TDE= -0.342825 Density= 0.429661 ETOT(band)= -0.466624 trlgG= -0.584982 logG= -0.057483 TDE= -0.341669 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010869 tlogG= -0.048069 logG= -0.058937 Density= 0.431116 ETOT(band)= -0.467899 trlgG= -0.590462 logG= -0.058937 TDE= -0.343090 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005507 tlogG= -0.023709 logG= -0.029216 Density= 0.215299 ETOT(band)= -0.233685 trlgG= -0.294237 logG= -0.029216 TDE= -0.171281 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010190 tlogG= -0.047604 logG= -0.057794 Density= 0.428389 ETOT(band)= -0.467636 trlgG= -0.586985 logG= -0.057794 TDE= -0.342000 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010909 tlogG= -0.047311 logG= -0.058219 Density= 0.430263 ETOT(band)= -0.467249 trlgG= -0.587636 logG= -0.058219 TDE= -0.342334 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010434 tlogG= -0.047613 logG= -0.058047 Density= 0.429791 ETOT(band)= -0.467272 trlgG= -0.586914 logG= -0.058047 TDE= -0.342115 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010157 tlogG= -0.044664 logG= -0.054821 Density= 0.324119 ETOT(band)= -0.346785 trlgG= -0.432519 logG= -0.054821 TDE= -0.340825 logGD-logG0= -0.004929 tlogG= -0.022349 logG= -0.027278 Density= 0.322706 ETOT(band)= -0.348093 trlgG= -0.434581 logG= -0.027278 TDE= -0.170272 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005081 tlogG= -0.021374 logG= -0.026455 Density= 0.216907 ETOT(band)= -0.229250 trlgG= -0.284652 logG= -0.026455 TDE= -0.169917 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004888 tlogG= -0.022349 logG= -0.027237 Density= 0.214917 ETOT(band)= -0.232028 trlgG= -0.289469 logG= -0.027237 TDE= -0.170278 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005040 tlogG= -0.021229 logG= -0.026269 Density= 0.216233 ETOT(band)= -0.230112 trlgG= -0.285911 logG= -0.026269 TDE= -0.169824 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010004 tlogG= -0.044668 logG= -0.054672 Density= 0.431383 ETOT(band)= -0.462230 trlgG= -0.575489 logG= -0.054672 TDE= -0.340463 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.925047070635 eV TrLogG= -407.727065801150 eV Ratio to renormalize= 1.000540753756 rho-rho_expected=-0.011890152988 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964730407798140 0.940545447067042 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002653 tlogG= -0.012044 logG= -0.014697 Density= 0.053736 ETOT(band)= -0.058554 trlgG= -0.073781 logG= -0.014697 TDE= -0.085676 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002606 tlogG= -0.011997 logG= -0.014604 Density= 0.054111 ETOT(band)= -0.058315 trlgG= -0.073642 logG= -0.014604 TDE= -0.085816 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002676 tlogG= -0.012001 logG= -0.014677 Density= 0.053956 ETOT(band)= -0.058436 trlgG= -0.073764 logG= -0.014677 TDE= -0.085787 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023898 logG= -0.029118 Density= 0.108196 ETOT(band)= -0.116590 trlgG= -0.147140 logG= -0.029118 TDE= -0.171563 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.023897 logG= -0.029268 Density= 0.107863 ETOT(band)= -0.116842 trlgG= -0.147385 logG= -0.029268 TDE= -0.171492 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009948 tlogG= -0.045639 logG= -0.055587 Density= 0.214255 ETOT(band)= -0.232738 trlgG= -0.290569 logG= -0.055587 TDE= -0.341007 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010020 tlogG= -0.047196 logG= -0.057216 Density= 0.213671 ETOT(band)= -0.233868 trlgG= -0.293004 logG= -0.057216 TDE= -0.341523 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002375 tlogG= -0.011896 logG= -0.014271 Density= 0.053535 ETOT(band)= -0.058422 trlgG= -0.073362 logG= -0.014271 TDE= -0.085582 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000200 tlogG= -0.000854 logG= -0.001053 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005860 logG= -0.001053 TDE= -0.007054 logGD-logG0= -0.002471 tlogG= -0.012094 logG= -0.014565 Density= 0.053558 ETOT(band)= -0.058566 trlgG= -0.073724 logG= -0.014565 TDE= -0.085662 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002381 tlogG= -0.011460 logG= -0.013841 Density= 0.053709 ETOT(band)= -0.058090 trlgG= -0.072596 logG= -0.013841 TDE= -0.085333 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001439 tlogG= -0.008052 logG= -0.009491 Density= 0.035295 ETOT(band)= -0.039091 trlgG= -0.049037 logG= -0.009491 TDE= -0.057011 logGD-logG0= -0.001520 tlogG= -0.007819 logG= -0.009338 Density= 0.035474 ETOT(band)= -0.038939 trlgG= -0.048672 logG= -0.009338 TDE= -0.056888 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.024094 logG= -0.029475 logGD-logG0= -0.005233 tlogG= -0.023977 logG= -0.029210 Density= 0.108176 ETOT(band)= -0.116654 trlgG= -0.147290 logG= -0.029210 TDE= -0.171611 Density= 0.107590 ETOT(band)= -0.117108 trlgG= -0.147708 logG= -0.029475 TDE= -0.171474 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022483 logG= -0.027614 Density= 0.108149 ETOT(band)= -0.115774 trlgG= -0.144752 logG= -0.027614 TDE= -0.170655 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004452 tlogG= -0.023997 logG= -0.028448 Density= 0.106114 ETOT(band)= -0.117164 trlgG= -0.146871 logG= -0.028448 TDE= -0.170933 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.024067 logG= -0.028717 logGD-logG0= -0.005200 tlogG= -0.023008 logG= -0.028208 Density= 0.106334 ETOT(band)= -0.117196 trlgG= -0.146992 logG= -0.028717 TDE= -0.170895 Density= 0.108081 ETOT(band)= -0.116148 trlgG= -0.145700 logG= -0.028208 TDE= -0.170976 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004425 tlogG= -0.024074 logG= -0.028499 logGD-logG0= -0.005385 tlogG= -0.024115 logG= -0.029500 logGD-logG0= -0.005095 tlogG= -0.024116 logG= -0.029212 logGD-logG0= -0.005419 tlogG= -0.024161 logG= -0.029580 Density= 0.107835 ETOT(band)= -0.117016 trlgG= -0.147771 logG= -0.029500 TDE= -0.171633 Density= 0.107327 ETOT(band)= -0.117074 trlgG= -0.147330 logG= -0.029212 TDE= -0.171228 Density= 0.107759 ETOT(band)= -0.117104 trlgG= -0.147897 logG= -0.029580 TDE= -0.171642 logGD-logG0= -0.005388 tlogG= -0.023708 logG= -0.029096 Density= 0.107178 ETOT(band)= -0.117043 trlgG= -0.147040 logG= -0.029096 TDE= -0.170981 Density= 0.106062 ETOT(band)= -0.117208 trlgG= -0.146984 logG= -0.028499 TDE= -0.170971 logGD-logG0= -0.005414 tlogG= -0.023925 logG= -0.029338 Density= 0.107699 ETOT(band)= -0.116974 trlgG= -0.147492 logG= -0.029338 TDE= -0.171449 logGD-logG0= -0.005193 tlogG= -0.023242 logG= -0.028434 logGD-logG0= -0.004931 tlogG= -0.023712 logG= -0.028643 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107325 ETOT(band)= -0.116763 trlgG= -0.146587 logG= -0.028643 TDE= -0.171054 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.023991 logG= -0.029322 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108141 ETOT(band)= -0.116241 trlgG= -0.146056 logG= -0.028434 TDE= -0.171135 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005223 tlogG= -0.023632 logG= -0.028854 Density= 0.108150 ETOT(band)= -0.116464 trlgG= -0.146720 logG= -0.028854 TDE= -0.171383 logGD-logG0= -0.005103 tlogG= -0.023663 logG= -0.028766 Density= 0.107391 ETOT(band)= -0.117095 trlgG= -0.147435 logG= -0.029322 TDE= -0.171256 Density= 0.106925 ETOT(band)= -0.116972 trlgG= -0.146490 logG= -0.028766 TDE= -0.170635 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.022431 logG= -0.027542 Density= 0.107580 ETOT(band)= -0.116003 trlgG= -0.144633 logG= -0.027542 TDE= -0.170326 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023011 logG= -0.027821 Density= 0.106817 ETOT(band)= -0.116531 trlgG= -0.145398 logG= -0.027821 TDE= -0.170435 logGD-logG0= -0.004784 tlogG= -0.023690 logG= -0.028473 logGD-logG0= -0.010205 tlogG= -0.043436 logG= -0.053642 Density= 0.106543 ETOT(band)= -0.117001 trlgG= -0.146576 logG= -0.028473 TDE= -0.170826 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.022898 logG= -0.028109 Density= 0.107562 ETOT(band)= -0.116336 trlgG= -0.145530 logG= -0.028109 TDE= -0.170648 Density= 0.216168 ETOT(band)= -0.230551 trlgG= -0.286867 logG= -0.053642 TDE= -0.340196 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022195 logG= -0.027243 Density= 0.108305 ETOT(band)= -0.115468 trlgG= -0.144143 logG= -0.027243 TDE= -0.170494 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004838 tlogG= -0.023521 logG= -0.028359 Density= 0.106719 ETOT(band)= -0.116854 trlgG= -0.146145 logG= -0.028359 TDE= -0.170596 logGD-logG0= -0.004809 tlogG= -0.023711 logG= -0.028520 logGD-logG0= -0.004982 tlogG= -0.024094 logG= -0.029076 Density= 0.107003 ETOT(band)= -0.117136 trlgG= -0.147357 logG= -0.029076 TDE= -0.171232 logGD-logG0= -0.005127 tlogG= -0.022759 logG= -0.027887 Density= 0.108195 ETOT(band)= -0.115911 trlgG= -0.145188 logG= -0.027887 TDE= -0.170842 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106922 ETOT(band)= -0.116883 trlgG= -0.146680 logG= -0.028520 TDE= -0.171070 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023913 logG= -0.028922 logGD-logG0= -0.004963 tlogG= -0.022873 logG= -0.027835 Density= 0.106703 ETOT(band)= -0.117155 trlgG= -0.147103 logG= -0.028922 TDE= -0.170983 Density= 0.107694 ETOT(band)= -0.116131 trlgG= -0.145117 logG= -0.027835 TDE= -0.170574 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023218 logG= -0.028622 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107630 ETOT(band)= -0.116584 trlgG= -0.146340 logG= -0.028622 TDE= -0.170979 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004839 tlogG= -0.022876 logG= -0.027715 Density= 0.107243 ETOT(band)= -0.116277 trlgG= -0.145245 logG= -0.027715 TDE= -0.170599 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.023607 logG= -0.029015 logGD-logG0= -0.009987 tlogG= -0.048293 logG= -0.058279 Density= 0.107747 ETOT(band)= -0.116746 trlgG= -0.146970 logG= -0.029015 TDE= -0.171273 Density= 0.214296 ETOT(band)= -0.234230 trlgG= -0.294788 logG= -0.058279 TDE= -0.342553 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009316 tlogG= -0.047675 logG= -0.056991 logGD-logG0= -0.005360 tlogG= -0.024086 logG= -0.029446 Density= 0.212817 ETOT(band)= -0.234126 trlgG= -0.293285 logG= -0.056991 TDE= -0.341607 logGD-logG0= -0.010133 tlogG= -0.047950 logG= -0.058082 Density= 0.107894 ETOT(band)= -0.116948 trlgG= -0.147682 logG= -0.029446 TDE= -0.171628 Density= 0.213863 ETOT(band)= -0.234269 trlgG= -0.294477 logG= -0.058082 TDE= -0.342225 logGD-logG0= -0.010709 tlogG= -0.047795 logG= -0.058504 logGD-logG0= -0.009748 tlogG= -0.047973 logG= -0.057721 Density= 0.214653 ETOT(band)= -0.234153 trlgG= -0.294623 logG= -0.058504 TDE= -0.342340 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213166 ETOT(band)= -0.234334 trlgG= -0.293931 logG= -0.057721 TDE= -0.341695 logGD-logG0= -0.009851 tlogG= -0.047209 logG= -0.057060 Density= 0.213659 ETOT(band)= -0.233825 trlgG= -0.293212 logG= -0.057060 TDE= -0.341882 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010574 tlogG= -0.047835 logG= -0.058408 Density= 0.214552 ETOT(band)= -0.234147 trlgG= -0.294454 logG= -0.058408 TDE= -0.342217 logGD-logG0= -0.010513 tlogG= -0.048027 logG= -0.058540 Density= 0.214969 ETOT(band)= -0.234061 trlgG= -0.294717 logG= -0.058540 TDE= -0.342554 logGD-logG0= -0.010053 tlogG= -0.045697 logG= -0.055750 Density= 0.215043 ETOT(band)= -0.232462 trlgG= -0.290381 logG= -0.055750 TDE= -0.341045 logGD-logG0= -0.010376 tlogG= -0.047706 logG= -0.058083 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010257 tlogG= -0.048077 logG= -0.058334 Density= 0.214427 ETOT(band)= -0.234176 trlgG= -0.294536 logG= -0.058334 TDE= -0.342311 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010746 tlogG= -0.048062 logG= -0.058808 Density= 0.215004 ETOT(band)= -0.234197 trlgG= -0.295161 logG= -0.058808 TDE= -0.342747 Density= 0.213844 ETOT(band)= -0.234256 trlgG= -0.294229 logG= -0.058083 TDE= -0.341967 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.023457 logG= -0.028698 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108077 ETOT(band)= -0.116418 trlgG= -0.146475 logG= -0.028698 TDE= -0.171259 logGD-logG0= -0.001723 tlogG= -0.007312 logG= -0.009035 Density= 0.035826 ETOT(band)= -0.038589 trlgG= -0.047973 logG= -0.009035 TDE= -0.056666 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002511 tlogG= -0.010853 logG= -0.013363 Density= 0.054036 ETOT(band)= -0.057609 trlgG= -0.071635 logG= -0.013363 TDE= -0.085012 logGD-logG0= -0.010605 tlogG= -0.047353 logG= -0.057957 Density= 0.214157 ETOT(band)= -0.234048 trlgG= -0.293704 logG= -0.057957 TDE= -0.341722 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010369 tlogG= -0.046459 logG= -0.056828 Density= 0.215110 ETOT(band)= -0.233024 trlgG= -0.292016 logG= -0.056828 TDE= -0.341636 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010859 tlogG= -0.048193 logG= -0.059052 Density= 0.215320 ETOT(band)= -0.234222 trlgG= -0.295598 logG= -0.059052 TDE= -0.343097 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001655 tlogG= -0.007000 logG= -0.008655 Density= 0.036178 ETOT(band)= -0.038139 trlgG= -0.047311 logG= -0.008655 TDE= -0.056558 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010768 tlogG= -0.047467 logG= -0.058235 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215364 ETOT(band)= -0.233692 trlgG= -0.294262 logG= -0.058235 TDE= -0.342599 logGD-logG0= -0.010772 tlogG= -0.047945 logG= -0.058717 logGD-logG0= -0.005246 tlogG= -0.023790 logG= -0.029036 Density= 0.215664 ETOT(band)= -0.233840 trlgG= -0.295066 logG= -0.058717 TDE= -0.343070 Density= 0.108125 ETOT(band)= -0.116580 trlgG= -0.147011 logG= -0.029036 TDE= -0.171480 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009624 tlogG= -0.047496 logG= -0.057120 Density= 0.214205 ETOT(band)= -0.233654 trlgG= -0.293341 logG= -0.057120 TDE= -0.342220 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023227 logG= -0.027951 Density= 0.106682 ETOT(band)= -0.116663 trlgG= -0.145661 logG= -0.027951 TDE= -0.170501 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010281 tlogG= -0.047199 logG= -0.057480 logGD-logG0= -0.009668 tlogG= -0.045808 logG= -0.055476 Density= 0.215046 ETOT(band)= -0.233426 trlgG= -0.293035 logG= -0.057480 TDE= -0.341970 Density= 0.214910 ETOT(band)= -0.232387 trlgG= -0.290390 logG= -0.055476 TDE= -0.341262 logGD-logG0= -0.009979 tlogG= -0.047273 logG= -0.057252 Density= 0.214371 ETOT(band)= -0.233615 trlgG= -0.293113 logG= -0.057252 TDE= -0.341943 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010664 tlogG= -0.048129 logG= -0.058793 Density= 0.214967 ETOT(band)= -0.234206 trlgG= -0.295133 logG= -0.058793 TDE= -0.342716 logGD-logG0= -0.005083 tlogG= -0.021900 logG= -0.026983 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108269 ETOT(band)= -0.115284 trlgG= -0.143694 logG= -0.026983 TDE= -0.170287 logGD-logG0= -0.004997 tlogG= -0.021589 logG= -0.026586 Density= 0.108459 ETOT(band)= -0.114917 trlgG= -0.143013 logG= -0.026586 TDE= -0.170098 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010717 tlogG= -0.047996 logG= -0.058713 logGD-logG0= -0.004915 tlogG= -0.021013 logG= -0.025929 Density= 0.108655 ETOT(band)= -0.114329 trlgG= -0.141855 logG= -0.025929 TDE= -0.169694 Density= 0.215792 ETOT(band)= -0.233767 trlgG= -0.295063 logG= -0.058713 TDE= -0.343135 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010792 tlogG= -0.047583 logG= -0.058375 Density= 0.215596 ETOT(band)= -0.233651 trlgG= -0.294501 logG= -0.058375 TDE= -0.342814 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.021841 logG= -0.027007 Density= 0.107734 ETOT(band)= -0.115574 trlgG= -0.143756 logG= -0.027007 TDE= -0.170062 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002449 tlogG= -0.010438 logG= -0.012887 Density= 0.054350 ETOT(band)= -0.057091 trlgG= -0.070788 logG= -0.012887 TDE= -0.084796 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010809 tlogG= -0.046925 logG= -0.057734 Density= 0.215325 ETOT(band)= -0.233415 trlgG= -0.293460 logG= -0.057734 TDE= -0.342280 logGD-logG0= -0.005105 tlogG= -0.021718 logG= -0.026824 Density= 0.107877 ETOT(band)= -0.115381 trlgG= -0.143446 logG= -0.026824 TDE= -0.170005 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001300 tlogG= -0.005946 logG= -0.007246 Density= 0.080793 ETOT(band)= -0.087679 trlgG= -0.110512 logG= -0.007246 TDE= -0.042874 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001299 tlogG= -0.005990 logG= -0.007289 Density= 0.081022 ETOT(band)= -0.087581 trlgG= -0.110564 logG= -0.007289 TDE= -0.042904 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023983 logG= -0.029255 Density= 0.216285 ETOT(band)= -0.233316 trlgG= -0.294507 logG= -0.029255 TDE= -0.171599 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005457 tlogG= -0.023926 logG= -0.029383 Density= 0.215542 ETOT(band)= -0.233843 trlgG= -0.294948 logG= -0.029383 TDE= -0.171465 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009644 tlogG= -0.046756 logG= -0.056400 Density= 0.427677 ETOT(band)= -0.466304 trlgG= -0.582639 logG= -0.056400 TDE= -0.341282 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009803 tlogG= -0.047811 logG= -0.057614 Density= 0.426963 ETOT(band)= -0.468095 trlgG= -0.586632 logG= -0.057614 TDE= -0.341562 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004997 tlogG= -0.021326 logG= -0.026323 Density= 0.162568 ETOT(band)= -0.173047 trlgG= -0.216206 logG= -0.026323 TDE= -0.169910 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001296 tlogG= -0.005862 logG= -0.007158 Density= 0.080609 ETOT(band)= -0.087644 trlgG= -0.110315 logG= -0.007158 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001466 tlogG= -0.007973 logG= -0.009439 Density= 0.070830 ETOT(band)= -0.077980 trlgG= -0.097587 logG= -0.009439 TDE= -0.056973 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.023912 logG= -0.028614 Density= 0.213174 ETOT(band)= -0.233950 trlgG= -0.292894 logG= -0.028614 TDE= -0.170814 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001611 tlogG= -0.006882 logG= -0.008493 Density= 0.040827 ETOT(band)= -0.042688 trlgG= -0.052869 logG= -0.008493 TDE= -0.056472 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005065 tlogG= -0.022926 logG= -0.027991 Density= 0.214690 ETOT(band)= -0.232485 trlgG= -0.290083 logG= -0.027991 TDE= -0.170462 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.024181 logG= -0.029295 Density= 0.214637 ETOT(band)= -0.234253 trlgG= -0.294927 logG= -0.029295 TDE= -0.171267 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023789 logG= -0.029081 Density= 0.216174 ETOT(band)= -0.233118 trlgG= -0.293803 logG= -0.029081 TDE= -0.171458 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005506 tlogG= -0.023712 logG= -0.029217 Density= 0.215304 ETOT(band)= -0.233695 trlgG= -0.294250 logG= -0.029217 TDE= -0.171288 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004399 tlogG= -0.024154 logG= -0.028553 logGD-logG0= -0.001209 tlogG= -0.005177 logG= -0.006386 Density= 0.062508 ETOT(band)= -0.067570 trlgG= -0.084323 logG= -0.006386 TDE= -0.042367 logGD-logG0= -0.009156 tlogG= -0.048140 logG= -0.057296 Density= 0.425318 ETOT(band)= -0.468523 trlgG= -0.587266 logG= -0.057296 TDE= -0.341841 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212062 ETOT(band)= -0.234467 trlgG= -0.294092 logG= -0.028553 TDE= -0.171009 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004586 tlogG= -0.023608 logG= -0.028195 Density= 0.212510 ETOT(band)= -0.234084 trlgG= -0.293142 logG= -0.028195 TDE= -0.170726 logGD-logG0= -0.010002 tlogG= -0.044672 logG= -0.054674 Density= 0.431390 ETOT(band)= -0.462250 trlgG= -0.575516 logG= -0.054674 TDE= -0.340477 logGD-logG0= -0.009849 tlogG= -0.047692 logG= -0.057541 Density= 0.426458 ETOT(band)= -0.468547 trlgG= -0.587784 logG= -0.057541 TDE= -0.341860 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005754 logG= -0.007035 Density= 0.080596 ETOT(band)= -0.087429 trlgG= -0.109760 logG= -0.007035 TDE= -0.042754 logGD-logG0= -0.010121 tlogG= -0.046448 logG= -0.056570 Density= 0.429317 ETOT(band)= -0.465729 trlgG= -0.582309 logG= -0.056570 TDE= -0.341392 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005626 logG= -0.006886 Density= 0.080797 ETOT(band)= -0.086999 trlgG= -0.108755 logG= -0.006886 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010155 tlogG= -0.044668 logG= -0.054823 Density= 0.324125 ETOT(band)= -0.346799 trlgG= -0.432539 logG= -0.054823 TDE= -0.340839 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001604 tlogG= -0.007596 logG= -0.009200 Density= 0.071461 ETOT(band)= -0.077376 trlgG= -0.096286 logG= -0.009200 TDE= -0.056748 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.024028 logG= -0.029344 Density= 0.215582 ETOT(band)= -0.233940 trlgG= -0.295221 logG= -0.029344 TDE= -0.171609 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.023826 logG= -0.029176 Density= 0.215230 ETOT(band)= -0.233847 trlgG= -0.294566 logG= -0.029176 TDE= -0.171456 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.024026 logG= -0.029305 logGD-logG0= -0.005348 tlogG= -0.023505 logG= -0.028853 Density= 0.215110 ETOT(band)= -0.233412 trlgG= -0.293302 logG= -0.028853 TDE= -0.171199 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216251 ETOT(band)= -0.233421 trlgG= -0.294740 logG= -0.029305 TDE= -0.171626 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.022316 logG= -0.027357 Density= 0.214152 ETOT(band)= -0.232527 trlgG= -0.289838 logG= -0.027357 TDE= -0.170198 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005410 tlogG= -0.024150 logG= -0.029559 Density= 0.215615 ETOT(band)= -0.234097 trlgG= -0.295637 logG= -0.029559 TDE= -0.171642 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005012 tlogG= -0.022495 logG= -0.027507 Density= 0.214914 ETOT(band)= -0.231748 trlgG= -0.288436 logG= -0.027507 TDE= -0.170211 logGD-logG0= -0.001723 tlogG= -0.007125 logG= -0.008848 Density= 0.072193 ETOT(band)= -0.076507 trlgG= -0.094969 logG= -0.008848 TDE= -0.056633 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.024030 logG= -0.028898 Density= 0.321408 ETOT(band)= -0.351238 trlgG= -0.441938 logG= -0.028898 TDE= -0.171257 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023981 logG= -0.029155 Density= 0.214235 ETOT(band)= -0.234181 trlgG= -0.294312 logG= -0.029155 TDE= -0.171094 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.023868 logG= -0.029039 Density= 0.215392 ETOT(band)= -0.233842 trlgG= -0.294671 logG= -0.029039 TDE= -0.171145 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023442 logG= -0.028740 logGD-logG0= -0.010879 tlogG= -0.048091 logG= -0.058970 Density= 0.216093 ETOT(band)= -0.232739 trlgG= -0.292596 logG= -0.028740 TDE= -0.171219 Density= 0.323092 ETOT(band)= -0.351112 trlgG= -0.442962 logG= -0.058970 TDE= -0.343086 logGD-logG0= -0.004677 tlogG= -0.023994 logG= -0.028671 Density= 0.212701 ETOT(band)= -0.234362 trlgG= -0.293890 logG= -0.028671 TDE= -0.170862 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.023903 logG= -0.028920 Density= 0.213682 ETOT(band)= -0.234097 trlgG= -0.293405 logG= -0.028920 TDE= -0.170824 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010366 tlogG= -0.045675 logG= -0.056041 Density= 0.323885 ETOT(band)= -0.348069 trlgG= -0.435553 logG= -0.056041 TDE= -0.341517 logGD-logG0= -0.005125 tlogG= -0.023267 logG= -0.028392 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321545 ETOT(band)= -0.350695 trlgG= -0.440211 logG= -0.028392 TDE= -0.170885 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004835 tlogG= -0.024031 logG= -0.028866 Density= 0.214015 ETOT(band)= -0.234173 trlgG= -0.294530 logG= -0.028866 TDE= -0.171262 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.022994 logG= -0.028265 Density= 0.216119 ETOT(band)= -0.232165 trlgG= -0.290979 logG= -0.028265 TDE= -0.170931 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023269 logG= -0.028146 Density= 0.213391 ETOT(band)= -0.233703 trlgG= -0.292624 logG= -0.028146 TDE= -0.170776 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.023392 logG= -0.028170 Density= 0.321476 ETOT(band)= -0.350189 trlgG= -0.439359 logG= -0.028170 TDE= -0.170931 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004531 tlogG= -0.023762 logG= -0.028293 Density= 0.212978 ETOT(band)= -0.233675 trlgG= -0.292164 logG= -0.028293 TDE= -0.170811 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023861 logG= -0.028791 logGD-logG0= -0.010632 tlogG= -0.046467 logG= -0.057100 Density= 0.323839 ETOT(band)= -0.349013 trlgG= -0.438175 logG= -0.057100 TDE= -0.342142 Density= 0.213467 ETOT(band)= -0.234236 trlgG= -0.294143 logG= -0.028791 TDE= -0.171080 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023215 logG= -0.028483 logGD-logG0= -0.005346 tlogG= -0.024107 logG= -0.029453 Density= 0.322906 ETOT(band)= -0.351320 trlgG= -0.443267 logG= -0.029453 TDE= -0.171455 logGD-logG0= -0.009872 tlogG= -0.046652 logG= -0.056525 Density= 0.214762 ETOT(band)= -0.233039 trlgG= -0.291615 logG= -0.028483 TDE= -0.170650 Density= 0.322546 ETOT(band)= -0.349140 trlgG= -0.436993 logG= -0.056525 TDE= -0.341671 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004746 tlogG= -0.023395 logG= -0.028141 Density= 0.214076 ETOT(band)= -0.233460 trlgG= -0.292735 logG= -0.028141 TDE= -0.170939 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005532 tlogG= -0.023377 logG= -0.028909 Density= 0.215002 ETOT(band)= -0.233438 trlgG= -0.293110 logG= -0.028909 TDE= -0.170994 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010336 tlogG= -0.048197 logG= -0.058533 Density= 0.429092 ETOT(band)= -0.468439 trlgG= -0.589415 logG= -0.058533 TDE= -0.342374 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010505 tlogG= -0.048005 logG= -0.058510 Density= 0.428995 ETOT(band)= -0.468401 trlgG= -0.589062 logG= -0.058510 TDE= -0.342215 logGD-logG0= -0.009832 tlogG= -0.047888 logG= -0.057720 Density= 0.427825 ETOT(band)= -0.468331 trlgG= -0.588646 logG= -0.057720 TDE= -0.342328 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005313 logG= -0.006541 logGD-logG0= -0.005140 tlogG= -0.024186 logG= -0.029326 Density= 0.322285 ETOT(band)= -0.351349 trlgG= -0.442615 logG= -0.029326 TDE= -0.171262 Density= 0.081517 ETOT(band)= -0.085717 trlgG= -0.106353 logG= -0.006541 TDE= -0.042468 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010681 tlogG= -0.048117 logG= -0.058798 Density= 0.429935 ETOT(band)= -0.468272 trlgG= -0.589855 logG= -0.058798 TDE= -0.342716 logGD-logG0= -0.010008 tlogG= -0.047901 logG= -0.057909 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010448 tlogG= -0.047715 logG= -0.058163 logGD-logG0= -0.010470 tlogG= -0.048269 logG= -0.058739 Density= 0.429829 ETOT(band)= -0.468442 trlgG= -0.590184 logG= -0.058739 TDE= -0.342591 Density= 0.428080 ETOT(band)= -0.468313 trlgG= -0.587977 logG= -0.058163 TDE= -0.341969 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428926 ETOT(band)= -0.468104 trlgG= -0.588615 logG= -0.057909 TDE= -0.342314 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010849 tlogG= -0.047775 logG= -0.058624 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430542 ETOT(band)= -0.467693 trlgG= -0.589137 logG= -0.058624 TDE= -0.342732 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009691 tlogG= -0.046656 logG= -0.056347 Density= 0.427883 ETOT(band)= -0.467026 trlgG= -0.585249 logG= -0.056347 TDE= -0.341697 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.023985 logG= -0.029427 Density= 0.323505 ETOT(band)= -0.350783 trlgG= -0.442702 logG= -0.029427 TDE= -0.171514 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.022464 logG= -0.027675 Density= 0.216263 ETOT(band)= -0.231367 trlgG= -0.288992 logG= -0.027675 TDE= -0.170597 logGD-logG0= -0.010634 tlogG= -0.047289 logG= -0.057923 Density= 0.323976 ETOT(band)= -0.349669 trlgG= -0.440261 logG= -0.057923 TDE= -0.342700 logGD-logG0= -0.010587 tlogG= -0.047840 logG= -0.058427 Density= 0.324194 ETOT(band)= -0.350036 trlgG= -0.441609 logG= -0.058427 TDE= -0.343092 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010866 tlogG= -0.048073 logG= -0.058939 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431125 ETOT(band)= -0.467918 trlgG= -0.590489 logG= -0.058939 TDE= -0.343104 logGD-logG0= -0.010507 tlogG= -0.046977 logG= -0.057485 Density= 0.429668 ETOT(band)= -0.466644 trlgG= -0.585010 logG= -0.057485 TDE= -0.341683 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.021905 logG= -0.027075 Density= 0.216518 ETOT(band)= -0.230368 trlgG= -0.286871 logG= -0.027075 TDE= -0.170256 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005039 tlogG= -0.021231 logG= -0.026269 Density= 0.216237 ETOT(band)= -0.230121 trlgG= -0.285924 logG= -0.026269 TDE= -0.169830 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001247 tlogG= -0.005474 logG= -0.006721 Density= 0.081159 ETOT(band)= -0.086385 trlgG= -0.107515 logG= -0.006721 TDE= -0.042580 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010189 tlogG= -0.047608 logG= -0.057796 logGD-logG0= -0.005080 tlogG= -0.021376 logG= -0.026456 Density= 0.216911 ETOT(band)= -0.229259 trlgG= -0.284664 logG= -0.026456 TDE= -0.169924 Density= 0.428396 ETOT(band)= -0.467656 trlgG= -0.587013 logG= -0.057796 TDE= -0.342013 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.047617 logG= -0.058049 Density= 0.429799 ETOT(band)= -0.467291 trlgG= -0.586942 logG= -0.058049 TDE= -0.342129 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010941 tlogG= -0.047748 logG= -0.058689 Density= 0.430884 ETOT(band)= -0.467636 trlgG= -0.589494 logG= -0.058689 TDE= -0.342839 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.022351 logG= -0.027278 Density= 0.322711 ETOT(band)= -0.348108 trlgG= -0.434602 logG= -0.027278 TDE= -0.170279 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010907 tlogG= -0.047314 logG= -0.058221 Density= 0.430271 ETOT(band)= -0.467269 trlgG= -0.587664 logG= -0.058221 TDE= -0.342348 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.022351 logG= -0.027238 Density= 0.214920 ETOT(band)= -0.232038 trlgG= -0.289483 logG= -0.027238 TDE= -0.170285 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.939006286316 eV TrLogG= -407.748893238951 eV Ratio to renormalize= 1.000523314923 rho-rho_expected=-0.011506906576 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964708987776184 0.940534225299339 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001439 tlogG= -0.008052 logG= -0.009492 Density= 0.035295 ETOT(band)= -0.039093 trlgG= -0.049040 logG= -0.009492 TDE= -0.057013 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004424 tlogG= -0.024075 logG= -0.028500 logGD-logG0= -0.004451 tlogG= -0.023998 logG= -0.028449 Density= 0.106063 ETOT(band)= -0.117213 trlgG= -0.146991 logG= -0.028500 TDE= -0.170977 logGD-logG0= -0.002653 tlogG= -0.012045 logG= -0.014697 Density= 0.053737 ETOT(band)= -0.058556 trlgG= -0.073784 logG= -0.014697 TDE= -0.085679 Density= 0.106115 ETOT(band)= -0.117169 trlgG= -0.146877 logG= -0.028449 TDE= -0.170939 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000200 tlogG= -0.000854 logG= -0.001053 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005860 logG= -0.001053 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002381 tlogG= -0.011461 logG= -0.013842 Density= 0.053710 ETOT(band)= -0.058092 trlgG= -0.072599 logG= -0.013842 TDE= -0.085336 logGD-logG0= -0.002470 tlogG= -0.012095 logG= -0.014566 Density= 0.053558 ETOT(band)= -0.058568 trlgG= -0.073727 logG= -0.014566 TDE= -0.085665 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001519 tlogG= -0.007819 logG= -0.009339 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002375 tlogG= -0.011897 logG= -0.014271 Density= 0.053535 ETOT(band)= -0.058424 trlgG= -0.073365 logG= -0.014271 TDE= -0.085585 Density= 0.035474 ETOT(band)= -0.038941 trlgG= -0.048674 logG= -0.009339 TDE= -0.056890 logGD-logG0= -0.004809 tlogG= -0.023013 logG= -0.027822 Density= 0.106819 ETOT(band)= -0.116536 trlgG= -0.145404 logG= -0.027822 TDE= -0.170441 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002606 tlogG= -0.011998 logG= -0.014604 Density= 0.054112 ETOT(band)= -0.058317 trlgG= -0.073645 logG= -0.014604 TDE= -0.085818 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023458 logG= -0.028699 Density= 0.108079 ETOT(band)= -0.116422 trlgG= -0.146481 logG= -0.028699 TDE= -0.171265 logGD-logG0= -0.005131 tlogG= -0.022484 logG= -0.027615 Density= 0.108151 ETOT(band)= -0.115778 trlgG= -0.144757 logG= -0.027615 TDE= -0.170661 logGD-logG0= -0.005199 tlogG= -0.023010 logG= -0.028209 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108083 ETOT(band)= -0.116152 trlgG= -0.145706 logG= -0.028209 TDE= -0.170982 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002675 tlogG= -0.012002 logG= -0.014678 logGD-logG0= -0.004649 tlogG= -0.024069 logG= -0.028718 Density= 0.053957 ETOT(band)= -0.058438 trlgG= -0.073767 logG= -0.014678 TDE= -0.085790 logGD-logG0= -0.005245 tlogG= -0.023792 logG= -0.029037 Density= 0.108127 ETOT(band)= -0.116584 trlgG= -0.147017 logG= -0.029037 TDE= -0.171486 logGD-logG0= -0.005381 tlogG= -0.024096 logG= -0.029476 Density= 0.107592 ETOT(band)= -0.117113 trlgG= -0.147714 logG= -0.029476 TDE= -0.171480 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.023979 logG= -0.029210 logGD-logG0= -0.005048 tlogG= -0.022196 logG= -0.027244 Density= 0.108178 ETOT(band)= -0.116658 trlgG= -0.147295 logG= -0.029210 TDE= -0.171616 Density= 0.106335 ETOT(band)= -0.117201 trlgG= -0.146998 logG= -0.028718 TDE= -0.170901 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108306 ETOT(band)= -0.115472 trlgG= -0.144149 logG= -0.027244 TDE= -0.170500 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023229 logG= -0.027952 Density= 0.106683 ETOT(band)= -0.116667 trlgG= -0.145667 logG= -0.027952 TDE= -0.170507 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002448 tlogG= -0.010439 logG= -0.012887 Density= 0.054351 ETOT(band)= -0.057093 trlgG= -0.070790 logG= -0.012887 TDE= -0.084799 logGD-logG0= -0.005222 tlogG= -0.023633 logG= -0.028855 logGD-logG0= -0.005192 tlogG= -0.023244 logG= -0.028435 Density= 0.108152 ETOT(band)= -0.116468 trlgG= -0.146725 logG= -0.028855 TDE= -0.171389 logGD-logG0= -0.005330 tlogG= -0.023992 logG= -0.029322 Density= 0.107393 ETOT(band)= -0.117099 trlgG= -0.147441 logG= -0.029322 TDE= -0.171262 Density= 0.108143 ETOT(band)= -0.116245 trlgG= -0.146062 logG= -0.028435 TDE= -0.171141 logGD-logG0= -0.005387 tlogG= -0.023709 logG= -0.029097 Density= 0.107180 ETOT(band)= -0.117047 trlgG= -0.147046 logG= -0.029097 TDE= -0.170987 logGD-logG0= -0.005384 tlogG= -0.024117 logG= -0.029501 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022761 logG= -0.027887 Density= 0.108196 ETOT(band)= -0.115915 trlgG= -0.145194 logG= -0.027887 TDE= -0.170847 Density= 0.107837 ETOT(band)= -0.117020 trlgG= -0.147777 logG= -0.029501 TDE= -0.171639 logGD-logG0= -0.005413 tlogG= -0.023926 logG= -0.029339 logGD-logG0= -0.005219 tlogG= -0.023900 logG= -0.029119 Density= 0.108198 ETOT(band)= -0.116594 trlgG= -0.147146 logG= -0.029119 TDE= -0.171569 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.024118 logG= -0.029213 Density= 0.107328 ETOT(band)= -0.117078 trlgG= -0.147336 logG= -0.029213 TDE= -0.171234 logGD-logG0= -0.001655 tlogG= -0.007000 logG= -0.008655 Density= 0.036178 ETOT(band)= -0.038141 trlgG= -0.047312 logG= -0.008655 TDE= -0.056560 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023714 logG= -0.028644 Density= 0.107327 ETOT(band)= -0.116767 trlgG= -0.146593 logG= -0.028644 TDE= -0.171060 logGD-logG0= -0.004808 tlogG= -0.023713 logG= -0.028521 Density= 0.107701 ETOT(band)= -0.116978 trlgG= -0.147498 logG= -0.029339 TDE= -0.171455 Density= 0.106923 ETOT(band)= -0.116888 trlgG= -0.146686 logG= -0.028521 TDE= -0.171076 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.023664 logG= -0.028767 Density= 0.106926 ETOT(band)= -0.116976 trlgG= -0.146496 logG= -0.028767 TDE= -0.170641 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.022899 logG= -0.028110 Density= 0.107564 ETOT(band)= -0.116340 trlgG= -0.145536 logG= -0.028110 TDE= -0.170654 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005110 tlogG= -0.022433 logG= -0.027543 Density= 0.107582 ETOT(band)= -0.116007 trlgG= -0.144638 logG= -0.027543 TDE= -0.170332 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.023914 logG= -0.028924 Density= 0.106705 ETOT(band)= -0.117160 trlgG= -0.147110 logG= -0.028924 TDE= -0.170989 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.024095 logG= -0.029077 Density= 0.107004 ETOT(band)= -0.117141 trlgG= -0.147363 logG= -0.029077 TDE= -0.171238 logGD-logG0= -0.004962 tlogG= -0.022874 logG= -0.027836 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107695 ETOT(band)= -0.116136 trlgG= -0.145123 logG= -0.027836 TDE= -0.170580 logGD-logG0= -0.004837 tlogG= -0.023523 logG= -0.028360 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106720 ETOT(band)= -0.116858 trlgG= -0.146151 logG= -0.028360 TDE= -0.170602 logGD-logG0= -0.005359 tlogG= -0.024088 logG= -0.029446 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107896 ETOT(band)= -0.116952 trlgG= -0.147687 logG= -0.029446 TDE= -0.171633 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.023691 logG= -0.028474 Density= 0.106545 ETOT(band)= -0.117006 trlgG= -0.146582 logG= -0.028474 TDE= -0.170832 logGD-logG0= -0.005402 tlogG= -0.023220 logG= -0.028622 Density= 0.107631 ETOT(band)= -0.116588 trlgG= -0.146346 logG= -0.028622 TDE= -0.170985 logGD-logG0= -0.005370 tlogG= -0.023899 logG= -0.029269 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005417 tlogG= -0.024163 logG= -0.029580 Density= 0.107865 ETOT(band)= -0.116846 trlgG= -0.147390 logG= -0.029269 TDE= -0.171498 Density= 0.107760 ETOT(band)= -0.117108 trlgG= -0.147903 logG= -0.029580 TDE= -0.171648 logGD-logG0= -0.004838 tlogG= -0.022878 logG= -0.027716 Density= 0.107244 ETOT(band)= -0.116281 trlgG= -0.145251 logG= -0.027716 TDE= -0.170605 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005407 tlogG= -0.023609 logG= -0.029016 Density= 0.107749 ETOT(band)= -0.116750 trlgG= -0.146975 logG= -0.029016 TDE= -0.171279 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009985 tlogG= -0.048296 logG= -0.058281 logGD-logG0= -0.009946 tlogG= -0.045642 logG= -0.055588 Density= 0.214299 ETOT(band)= -0.234239 trlgG= -0.294800 logG= -0.058281 TDE= -0.342564 Density= 0.214258 ETOT(band)= -0.232747 trlgG= -0.290581 logG= -0.055588 TDE= -0.341018 logGD-logG0= -0.009315 tlogG= -0.047678 logG= -0.056993 Density= 0.212819 ETOT(band)= -0.234135 trlgG= -0.293298 logG= -0.056993 TDE= -0.341619 logGD-logG0= -0.009850 tlogG= -0.047212 logG= -0.057062 Density= 0.213662 ETOT(band)= -0.233834 trlgG= -0.293225 logG= -0.057062 TDE= -0.341894 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009666 tlogG= -0.045812 logG= -0.055478 Density= 0.214913 ETOT(band)= -0.232395 trlgG= -0.290402 logG= -0.055478 TDE= -0.341273 logGD-logG0= -0.010019 tlogG= -0.047199 logG= -0.057218 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213674 ETOT(band)= -0.233878 trlgG= -0.293016 logG= -0.057218 TDE= -0.341534 logGD-logG0= -0.009748 tlogG= -0.047975 logG= -0.057723 Density= 0.213168 ETOT(band)= -0.234344 trlgG= -0.293944 logG= -0.057723 TDE= -0.341707 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009622 tlogG= -0.047500 logG= -0.057122 Density= 0.214207 ETOT(band)= -0.233663 trlgG= -0.293353 logG= -0.057122 TDE= -0.342232 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010663 tlogG= -0.048132 logG= -0.058795 logGD-logG0= -0.010707 tlogG= -0.047798 logG= -0.058506 Density= 0.214656 ETOT(band)= -0.234161 trlgG= -0.294635 logG= -0.058506 TDE= -0.342352 logGD-logG0= -0.010131 tlogG= -0.047953 logG= -0.058084 Density= 0.213866 ETOT(band)= -0.234278 trlgG= -0.294490 logG= -0.058084 TDE= -0.342237 Density= 0.214970 ETOT(band)= -0.234214 trlgG= -0.295145 logG= -0.058795 TDE= -0.342728 logGD-logG0= -0.010512 tlogG= -0.048030 logG= -0.058542 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010745 tlogG= -0.048065 logG= -0.058810 Density= 0.215007 ETOT(band)= -0.234206 trlgG= -0.295173 logG= -0.058810 TDE= -0.342759 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214973 ETOT(band)= -0.234069 trlgG= -0.294729 logG= -0.058542 TDE= -0.342566 logGD-logG0= -0.010255 tlogG= -0.048081 logG= -0.058336 Density= 0.214430 ETOT(band)= -0.234185 trlgG= -0.294548 logG= -0.058336 TDE= -0.342323 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010572 tlogG= -0.047838 logG= -0.058410 logGD-logG0= -0.001723 tlogG= -0.007312 logG= -0.009035 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214555 ETOT(band)= -0.234156 trlgG= -0.294466 logG= -0.058410 TDE= -0.342229 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010375 tlogG= -0.047710 logG= -0.058085 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213847 ETOT(band)= -0.234265 trlgG= -0.294242 logG= -0.058085 TDE= -0.341979 logGD-logG0= -0.010808 tlogG= -0.046928 logG= -0.057736 Density= 0.035826 ETOT(band)= -0.038590 trlgG= -0.047975 logG= -0.009035 TDE= -0.056668 Density= 0.215328 ETOT(band)= -0.233423 trlgG= -0.293472 logG= -0.057736 TDE= -0.342291 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010789 tlogG= -0.047587 logG= -0.058377 logGD-logG0= -0.010604 tlogG= -0.047355 logG= -0.057959 Density= 0.214160 ETOT(band)= -0.234057 trlgG= -0.293717 logG= -0.057959 TDE= -0.341734 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215600 ETOT(band)= -0.233659 trlgG= -0.294513 logG= -0.058377 TDE= -0.342825 logGD-logG0= -0.004914 tlogG= -0.021015 logG= -0.025929 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002510 tlogG= -0.010853 logG= -0.013364 Density= 0.054036 ETOT(band)= -0.057611 trlgG= -0.071638 logG= -0.013364 TDE= -0.085014 Density= 0.108657 ETOT(band)= -0.114333 trlgG= -0.141860 logG= -0.025929 TDE= -0.169699 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010858 tlogG= -0.048196 logG= -0.059054 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215324 ETOT(band)= -0.234231 trlgG= -0.295609 logG= -0.059054 TDE= -0.343109 logGD-logG0= -0.010368 tlogG= -0.046462 logG= -0.056829 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215113 ETOT(band)= -0.233033 trlgG= -0.292028 logG= -0.056829 TDE= -0.341647 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010715 tlogG= -0.048000 logG= -0.058715 Density= 0.215796 ETOT(band)= -0.233775 trlgG= -0.295075 logG= -0.058715 TDE= -0.343146 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010767 tlogG= -0.047470 logG= -0.058237 logGD-logG0= -0.009978 tlogG= -0.047276 logG= -0.057254 Density= 0.214374 ETOT(band)= -0.233623 trlgG= -0.293125 logG= -0.057254 TDE= -0.341954 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215367 ETOT(band)= -0.233700 trlgG= -0.294274 logG= -0.058237 TDE= -0.342611 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010770 tlogG= -0.047949 logG= -0.058719 Density= 0.215668 ETOT(band)= -0.233848 trlgG= -0.295078 logG= -0.058719 TDE= -0.343082 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010280 tlogG= -0.047202 logG= -0.057482 Density= 0.215049 ETOT(band)= -0.233435 trlgG= -0.293047 logG= -0.057482 TDE= -0.341982 logGD-logG0= -0.005164 tlogG= -0.021843 logG= -0.027007 Density= 0.107735 ETOT(band)= -0.115578 trlgG= -0.143762 logG= -0.027007 TDE= -0.170067 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010052 tlogG= -0.045700 logG= -0.055752 Density= 0.215046 ETOT(band)= -0.232470 trlgG= -0.290393 logG= -0.055752 TDE= -0.341056 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.021901 logG= -0.026984 Density= 0.108270 ETOT(band)= -0.115288 trlgG= -0.143699 logG= -0.026984 TDE= -0.170293 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004996 tlogG= -0.021590 logG= -0.026586 Density= 0.108460 ETOT(band)= -0.114921 trlgG= -0.143018 logG= -0.026586 TDE= -0.170103 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005104 tlogG= -0.021720 logG= -0.026824 Density= 0.107878 ETOT(band)= -0.115385 trlgG= -0.143452 logG= -0.026824 TDE= -0.170011 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010204 tlogG= -0.043439 logG= -0.053643 Density= 0.216171 ETOT(band)= -0.230559 trlgG= -0.286878 logG= -0.053643 TDE= -0.340207 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004399 tlogG= -0.024155 logG= -0.028554 Density= 0.212064 ETOT(band)= -0.234477 trlgG= -0.294106 logG= -0.028554 TDE= -0.171015 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001300 tlogG= -0.005946 logG= -0.007246 Density= 0.080794 ETOT(band)= -0.087682 trlgG= -0.110516 logG= -0.007246 TDE= -0.042875 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001295 tlogG= -0.005863 logG= -0.007158 Density= 0.080610 ETOT(band)= -0.087647 trlgG= -0.110319 logG= -0.007158 TDE= -0.042821 logGD-logG0= -0.004586 tlogG= -0.023610 logG= -0.028196 Density= 0.212512 ETOT(band)= -0.234094 trlgG= -0.293155 logG= -0.028196 TDE= -0.170732 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005626 logG= -0.006886 Density= 0.080798 ETOT(band)= -0.087003 trlgG= -0.108759 logG= -0.006886 TDE= -0.042679 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001298 tlogG= -0.005991 logG= -0.007289 Density= 0.081023 ETOT(band)= -0.087584 trlgG= -0.110568 logG= -0.007289 TDE= -0.042905 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005755 logG= -0.007035 Density= 0.080597 ETOT(band)= -0.087432 trlgG= -0.109764 logG= -0.007035 TDE= -0.042755 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.023443 logG= -0.028741 Density= 0.216096 ETOT(band)= -0.232747 trlgG= -0.292607 logG= -0.028741 TDE= -0.171225 logGD-logG0= -0.005210 tlogG= -0.022465 logG= -0.027675 logGD-logG0= -0.005314 tlogG= -0.024030 logG= -0.029345 Density= 0.215586 ETOT(band)= -0.233949 trlgG= -0.295233 logG= -0.029345 TDE= -0.171615 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216266 ETOT(band)= -0.231375 trlgG= -0.289002 logG= -0.027675 TDE= -0.170602 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001465 tlogG= -0.007974 logG= -0.009439 Density= 0.070831 ETOT(band)= -0.077983 trlgG= -0.097592 logG= -0.009439 TDE= -0.056975 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005177 logG= -0.006386 Density= 0.062509 ETOT(band)= -0.067573 trlgG= -0.084327 logG= -0.006386 TDE= -0.042368 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004834 tlogG= -0.024033 logG= -0.028867 Density= 0.214018 ETOT(band)= -0.234182 trlgG= -0.294542 logG= -0.028867 TDE= -0.171267 logGD-logG0= -0.005171 tlogG= -0.023870 logG= -0.029040 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215395 ETOT(band)= -0.233851 trlgG= -0.294682 logG= -0.029040 TDE= -0.171151 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.023863 logG= -0.028792 Density= 0.213469 ETOT(band)= -0.234246 trlgG= -0.294156 logG= -0.028792 TDE= -0.171086 logGD-logG0= -0.005348 tlogG= -0.023828 logG= -0.029177 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215233 ETOT(band)= -0.233855 trlgG= -0.294577 logG= -0.029177 TDE= -0.171462 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024028 logG= -0.029306 logGD-logG0= -0.005347 tlogG= -0.023506 logG= -0.028854 Density= 0.215113 ETOT(band)= -0.233420 trlgG= -0.293314 logG= -0.028854 TDE= -0.171205 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216255 ETOT(band)= -0.233428 trlgG= -0.294751 logG= -0.029306 TDE= -0.171632 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.023217 logG= -0.028484 Density= 0.214765 ETOT(band)= -0.233048 trlgG= -0.291627 logG= -0.028484 TDE= -0.170656 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005532 tlogG= -0.023378 logG= -0.028910 Density= 0.215005 ETOT(band)= -0.233446 trlgG= -0.293122 logG= -0.028910 TDE= -0.171000 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005409 tlogG= -0.024152 logG= -0.029560 Density= 0.215619 ETOT(band)= -0.234105 trlgG= -0.295649 logG= -0.029560 TDE= -0.171648 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.023983 logG= -0.029156 Density= 0.214238 ETOT(band)= -0.234190 trlgG= -0.294325 logG= -0.029156 TDE= -0.171100 logGD-logG0= -0.005113 tlogG= -0.024183 logG= -0.029296 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214640 ETOT(band)= -0.234262 trlgG= -0.294939 logG= -0.029296 TDE= -0.171273 logGD-logG0= -0.004531 tlogG= -0.023764 logG= -0.028294 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212980 ETOT(band)= -0.233685 trlgG= -0.292177 logG= -0.028294 TDE= -0.170817 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023791 logG= -0.029081 logGD-logG0= -0.005271 tlogG= -0.023985 logG= -0.029256 Density= 0.216288 ETOT(band)= -0.233324 trlgG= -0.294518 logG= -0.029256 TDE= -0.171605 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216178 ETOT(band)= -0.233126 trlgG= -0.293814 logG= -0.029081 TDE= -0.171464 logGD-logG0= -0.005270 tlogG= -0.022996 logG= -0.028266 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216122 ETOT(band)= -0.232173 trlgG= -0.290990 logG= -0.028266 TDE= -0.170937 logGD-logG0= -0.005139 tlogG= -0.024188 logG= -0.029327 Density= 0.322290 ETOT(band)= -0.351362 trlgG= -0.442633 logG= -0.029327 TDE= -0.171268 logGD-logG0= -0.004677 tlogG= -0.023995 logG= -0.028672 Density= 0.212703 ETOT(band)= -0.234372 trlgG= -0.293903 logG= -0.028672 TDE= -0.170868 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010632 tlogG= -0.047293 logG= -0.057924 Density= 0.323981 ETOT(band)= -0.349681 trlgG= -0.440278 logG= -0.057924 TDE= -0.342712 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005345 tlogG= -0.024108 logG= -0.029454 Density= 0.322912 ETOT(band)= -0.351333 trlgG= -0.443285 logG= -0.029454 TDE= -0.171461 logGD-logG0= -0.010585 tlogG= -0.047844 logG= -0.058429 logGD-logG0= -0.004867 tlogG= -0.024032 logG= -0.028899 Density= 0.321413 ETOT(band)= -0.351252 trlgG= -0.441956 logG= -0.028899 TDE= -0.171262 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010877 tlogG= -0.048095 logG= -0.058972 logGD-logG0= -0.005017 tlogG= -0.023904 logG= -0.028921 Density= 0.213685 ETOT(band)= -0.234106 trlgG= -0.293418 logG= -0.028921 TDE= -0.170830 Density= 0.323097 ETOT(band)= -0.351124 trlgG= -0.442979 logG= -0.058972 TDE= -0.343098 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324200 ETOT(band)= -0.350048 trlgG= -0.441626 logG= -0.058429 TDE= -0.343104 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.023393 logG= -0.028170 Density= 0.321480 ETOT(band)= -0.350203 trlgG= -0.439377 logG= -0.028170 TDE= -0.170937 logGD-logG0= -0.004702 tlogG= -0.023913 logG= -0.028615 Density= 0.213177 ETOT(band)= -0.233960 trlgG= -0.292906 logG= -0.028615 TDE= -0.170820 logGD-logG0= -0.005456 tlogG= -0.023928 logG= -0.029384 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215545 ETOT(band)= -0.233851 trlgG= -0.294959 logG= -0.029384 TDE= -0.171471 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010365 tlogG= -0.045677 logG= -0.056042 Density= 0.323890 ETOT(band)= -0.348081 trlgG= -0.435570 logG= -0.056042 TDE= -0.341529 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010630 tlogG= -0.046471 logG= -0.057101 logGD-logG0= -0.005124 tlogG= -0.023269 logG= -0.028393 Density= 0.321549 ETOT(band)= -0.350709 trlgG= -0.440229 logG= -0.028393 TDE= -0.170891 Density= 0.323844 ETOT(band)= -0.349025 trlgG= -0.438192 logG= -0.057101 TDE= -0.342154 logGD-logG0= -0.001611 tlogG= -0.006882 logG= -0.008493 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040828 ETOT(band)= -0.042689 trlgG= -0.052871 logG= -0.008493 TDE= -0.056474 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004745 tlogG= -0.023397 logG= -0.028142 Density= 0.214079 ETOT(band)= -0.233469 trlgG= -0.292747 logG= -0.028142 TDE= -0.170945 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001723 tlogG= -0.007126 logG= -0.008849 Density= 0.072194 ETOT(band)= -0.076509 trlgG= -0.094973 logG= -0.008849 TDE= -0.056635 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005441 tlogG= -0.023987 logG= -0.029428 Density= 0.323511 ETOT(band)= -0.350795 trlgG= -0.442720 logG= -0.029428 TDE= -0.171520 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.022318 logG= -0.027358 Density= 0.214155 ETOT(band)= -0.232536 trlgG= -0.289850 logG= -0.027358 TDE= -0.170204 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005504 tlogG= -0.023714 logG= -0.029218 Density= 0.215307 ETOT(band)= -0.233703 trlgG= -0.294262 logG= -0.029218 TDE= -0.171294 logGD-logG0= -0.005064 tlogG= -0.022928 logG= -0.027992 Density= 0.214692 ETOT(band)= -0.232494 trlgG= -0.290094 logG= -0.027992 TDE= -0.170468 logGD-logG0= -0.009871 tlogG= -0.046656 logG= -0.056526 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322550 ETOT(band)= -0.349153 trlgG= -0.437011 logG= -0.056526 TDE= -0.341683 logGD-logG0= -0.001604 tlogG= -0.007596 logG= -0.009200 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009155 tlogG= -0.048143 logG= -0.057298 Density= 0.425322 ETOT(band)= -0.468542 trlgG= -0.587292 logG= -0.057298 TDE= -0.341853 logGD-logG0= -0.009643 tlogG= -0.046759 logG= -0.056402 Density= 0.427682 ETOT(band)= -0.466322 trlgG= -0.582664 logG= -0.056402 TDE= -0.341294 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001247 tlogG= -0.005475 logG= -0.006722 Density= 0.081160 ETOT(band)= -0.086388 trlgG= -0.107519 logG= -0.006722 TDE= -0.042581 Density= 0.071462 ETOT(band)= -0.077379 trlgG= -0.096290 logG= -0.009200 TDE= -0.056750 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.022496 logG= -0.027508 Density= 0.214917 ETOT(band)= -0.231757 trlgG= -0.288448 logG= -0.027508 TDE= -0.170217 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010468 tlogG= -0.048272 logG= -0.058740 logGD-logG0= -0.010334 tlogG= -0.048200 logG= -0.058535 Density= 0.429836 ETOT(band)= -0.468460 trlgG= -0.590208 logG= -0.058740 TDE= -0.342603 Density= 0.429098 ETOT(band)= -0.468457 trlgG= -0.589439 logG= -0.058535 TDE= -0.342386 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010447 tlogG= -0.047718 logG= -0.058165 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009830 tlogG= -0.047892 logG= -0.057722 Density= 0.427831 ETOT(band)= -0.468349 trlgG= -0.588671 logG= -0.057722 TDE= -0.342340 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428086 ETOT(band)= -0.468331 trlgG= -0.588001 logG= -0.058165 TDE= -0.341981 logGD-logG0= -0.009690 tlogG= -0.046659 logG= -0.056349 logGD-logG0= -0.010504 tlogG= -0.048008 logG= -0.058512 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427888 ETOT(band)= -0.467044 trlgG= -0.585273 logG= -0.056349 TDE= -0.341709 logGD-logG0= -0.010006 tlogG= -0.047905 logG= -0.057911 Density= 0.429001 ETOT(band)= -0.468419 trlgG= -0.589087 logG= -0.058512 TDE= -0.342227 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428932 ETOT(band)= -0.468122 trlgG= -0.588639 logG= -0.057911 TDE= -0.342326 logGD-logG0= -0.004996 tlogG= -0.021327 logG= -0.026324 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009802 tlogG= -0.047814 logG= -0.057616 Density= 0.426968 ETOT(band)= -0.468113 trlgG= -0.586657 logG= -0.057616 TDE= -0.341574 logGD-logG0= -0.009849 tlogG= -0.047694 logG= -0.057543 Density= 0.426463 ETOT(band)= -0.468566 trlgG= -0.587810 logG= -0.057543 TDE= -0.341872 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010679 tlogG= -0.048121 logG= -0.058800 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010848 tlogG= -0.047778 logG= -0.058625 Density= 0.430549 ETOT(band)= -0.467710 trlgG= -0.589160 logG= -0.058625 TDE= -0.342744 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429942 ETOT(band)= -0.468289 trlgG= -0.589879 logG= -0.058800 TDE= -0.342728 Density= 0.162570 ETOT(band)= -0.173053 trlgG= -0.216214 logG= -0.026324 TDE= -0.169916 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010939 tlogG= -0.047752 logG= -0.058691 Density= 0.430891 ETOT(band)= -0.467652 trlgG= -0.589518 logG= -0.058691 TDE= -0.342851 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010187 tlogG= -0.047611 logG= -0.057798 Density= 0.428402 ETOT(band)= -0.467674 trlgG= -0.587037 logG= -0.057798 TDE= -0.342025 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010906 tlogG= -0.047317 logG= -0.058223 Density= 0.430278 ETOT(band)= -0.467286 trlgG= -0.587687 logG= -0.058223 TDE= -0.342360 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010506 tlogG= -0.046981 logG= -0.057487 Density= 0.429674 ETOT(band)= -0.466661 trlgG= -0.585034 logG= -0.057487 TDE= -0.341695 logGD-logG0= -0.004876 tlogG= -0.023271 logG= -0.028147 logGD-logG0= -0.010863 tlogG= -0.048078 logG= -0.058941 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431132 ETOT(band)= -0.467935 trlgG= -0.590512 logG= -0.058941 TDE= -0.343116 Density= 0.213393 ETOT(band)= -0.233712 trlgG= -0.292637 logG= -0.028147 TDE= -0.170782 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004886 tlogG= -0.022352 logG= -0.027238 Density= 0.214923 ETOT(band)= -0.232047 trlgG= -0.289495 logG= -0.027238 TDE= -0.170290 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004927 tlogG= -0.022352 logG= -0.027279 Density= 0.322715 ETOT(band)= -0.348121 trlgG= -0.434619 logG= -0.027279 TDE= -0.170284 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010431 tlogG= -0.047620 logG= -0.058051 Density= 0.429806 ETOT(band)= -0.467308 trlgG= -0.586966 logG= -0.058051 TDE= -0.342141 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005314 logG= -0.006541 Density= 0.081518 ETOT(band)= -0.085720 trlgG= -0.106357 logG= -0.006541 TDE= -0.042470 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010153 tlogG= -0.044671 logG= -0.054824 Density= 0.324130 ETOT(band)= -0.346811 trlgG= -0.432555 logG= -0.054824 TDE= -0.340850 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010120 tlogG= -0.046452 logG= -0.056571 logGD-logG0= -0.005079 tlogG= -0.021377 logG= -0.026457 Density= 0.216914 ETOT(band)= -0.229267 trlgG= -0.284674 logG= -0.026457 TDE= -0.169929 Density= 0.429323 ETOT(band)= -0.465747 trlgG= -0.582333 logG= -0.056571 TDE= -0.341404 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.021906 logG= -0.027076 Density= 0.216521 ETOT(band)= -0.230376 trlgG= -0.286882 logG= -0.027076 TDE= -0.170262 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.021232 logG= -0.026270 Density= 0.216240 ETOT(band)= -0.230129 trlgG= -0.285934 logG= -0.026270 TDE= -0.169836 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010000 tlogG= -0.044676 logG= -0.054676 Density= 0.431396 ETOT(band)= -0.462267 trlgG= -0.575538 logG= -0.054676 TDE= -0.340488 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.951013877305 eV TrLogG= -407.767528337104 eV Ratio to renormalize= 1.000508887609 rho-rho_expected=-0.011189833036 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964781789243102 0.940647805560607 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001519 tlogG= -0.007821 logG= -0.009340 Density= 0.035475 ETOT(band)= -0.038945 trlgG= -0.048680 logG= -0.009340 TDE= -0.056895 logGD-logG0= -0.001439 tlogG= -0.008054 logG= -0.009493 Density= 0.035296 ETOT(band)= -0.039097 trlgG= -0.049045 logG= -0.009493 TDE= -0.057019 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004423 tlogG= -0.024080 logG= -0.028503 Density= 0.106066 ETOT(band)= -0.117226 trlgG= -0.147008 logG= -0.028503 TDE= -0.170992 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.022437 logG= -0.027545 Density= 0.107585 ETOT(band)= -0.116018 trlgG= -0.144653 logG= -0.027545 TDE= -0.170347 logGD-logG0= -0.004722 tlogG= -0.023233 logG= -0.027954 Density= 0.106686 ETOT(band)= -0.116679 trlgG= -0.145683 logG= -0.027954 TDE= -0.170522 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007002 logG= -0.008655 Density= 0.036180 ETOT(band)= -0.038144 trlgG= -0.047317 logG= -0.008655 TDE= -0.056565 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005162 tlogG= -0.021847 logG= -0.027009 Density= 0.107739 ETOT(band)= -0.115589 trlgG= -0.143776 logG= -0.027009 TDE= -0.170082 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005102 tlogG= -0.021724 logG= -0.026826 Density= 0.107882 ETOT(band)= -0.115396 trlgG= -0.143466 logG= -0.026826 TDE= -0.170025 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002374 tlogG= -0.011899 logG= -0.014273 logGD-logG0= -0.000199 tlogG= -0.000854 logG= -0.001053 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005861 logG= -0.001053 TDE= -0.007055 Density= 0.053537 ETOT(band)= -0.058429 trlgG= -0.073373 logG= -0.014273 TDE= -0.085593 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002652 tlogG= -0.012047 logG= -0.014699 Density= 0.053740 ETOT(band)= -0.058561 trlgG= -0.073792 logG= -0.014699 TDE= -0.085686 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002380 tlogG= -0.011463 logG= -0.013843 Density= 0.053712 ETOT(band)= -0.058098 trlgG= -0.072607 logG= -0.013843 TDE= -0.085343 logGD-logG0= -0.002469 tlogG= -0.012097 logG= -0.014567 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053560 ETOT(band)= -0.058573 trlgG= -0.073735 logG= -0.014567 TDE= -0.085672 logGD-logG0= -0.002604 tlogG= -0.012001 logG= -0.014605 Density= 0.054115 ETOT(band)= -0.058322 trlgG= -0.073652 logG= -0.014605 TDE= -0.085826 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.023463 logG= -0.028701 Density= 0.108084 ETOT(band)= -0.116432 trlgG= -0.146495 logG= -0.028701 TDE= -0.171280 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.023797 logG= -0.029039 Density= 0.108132 ETOT(band)= -0.116594 trlgG= -0.147031 logG= -0.029039 TDE= -0.171501 logGD-logG0= -0.005128 tlogG= -0.022489 logG= -0.027617 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.023984 logG= -0.029212 Density= 0.108183 ETOT(band)= -0.116669 trlgG= -0.147309 logG= -0.029212 TDE= -0.171631 Density= 0.108155 ETOT(band)= -0.115789 trlgG= -0.144772 logG= -0.027617 TDE= -0.170675 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004648 tlogG= -0.024073 logG= -0.028720 Density= 0.106338 ETOT(band)= -0.117213 trlgG= -0.147015 logG= -0.028720 TDE= -0.170916 logGD-logG0= -0.005379 tlogG= -0.024100 logG= -0.029479 logGD-logG0= -0.004450 tlogG= -0.024002 logG= -0.028452 Density= 0.106118 ETOT(band)= -0.117182 trlgG= -0.146894 logG= -0.028452 TDE= -0.170954 logGD-logG0= -0.005045 tlogG= -0.022201 logG= -0.027246 Density= 0.108311 ETOT(band)= -0.115482 trlgG= -0.144163 logG= -0.027246 TDE= -0.170514 Density= 0.107597 ETOT(band)= -0.117123 trlgG= -0.147730 logG= -0.029479 TDE= -0.171495 logGD-logG0= -0.005196 tlogG= -0.023015 logG= -0.028211 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108088 ETOT(band)= -0.116162 trlgG= -0.145720 logG= -0.028211 TDE= -0.170996 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002674 tlogG= -0.012005 logG= -0.014679 logGD-logG0= -0.005093 tlogG= -0.024122 logG= -0.029215 logGD-logG0= -0.005386 tlogG= -0.023714 logG= -0.029099 Density= 0.053960 ETOT(band)= -0.058444 trlgG= -0.073774 logG= -0.014679 TDE= -0.085798 Density= 0.107332 ETOT(band)= -0.117089 trlgG= -0.147351 logG= -0.029215 TDE= -0.171249 Density= 0.107184 ETOT(band)= -0.117058 trlgG= -0.147062 logG= -0.029099 TDE= -0.171003 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023248 logG= -0.028437 Density= 0.108147 ETOT(band)= -0.116255 trlgG= -0.146076 logG= -0.028437 TDE= -0.171155 logGD-logG0= -0.005216 tlogG= -0.023905 logG= -0.029121 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.022766 logG= -0.027889 Density= 0.108201 ETOT(band)= -0.115925 trlgG= -0.145208 logG= -0.027889 TDE= -0.170862 Density= 0.108203 ETOT(band)= -0.116604 trlgG= -0.147160 logG= -0.029121 TDE= -0.171584 logGD-logG0= -0.005411 tlogG= -0.023930 logG= -0.029342 Density= 0.107705 ETOT(band)= -0.116989 trlgG= -0.147513 logG= -0.029342 TDE= -0.171470 logGD-logG0= -0.004960 tlogG= -0.022879 logG= -0.027839 Density= 0.107699 ETOT(band)= -0.116146 trlgG= -0.145138 logG= -0.027839 TDE= -0.170594 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.023718 logG= -0.028646 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.023695 logG= -0.028477 Density= 0.107330 ETOT(band)= -0.116778 trlgG= -0.146609 logG= -0.028646 TDE= -0.171075 Density= 0.106548 ETOT(band)= -0.117018 trlgG= -0.146599 logG= -0.028477 TDE= -0.170847 logGD-logG0= -0.005219 tlogG= -0.023638 logG= -0.028857 Density= 0.108157 ETOT(band)= -0.116478 trlgG= -0.146739 logG= -0.028857 TDE= -0.171404 logGD-logG0= -0.005009 tlogG= -0.023917 logG= -0.028926 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023997 logG= -0.029325 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107397 ETOT(band)= -0.117110 trlgG= -0.147456 logG= -0.029325 TDE= -0.171277 Density= 0.106708 ETOT(band)= -0.117172 trlgG= -0.147126 logG= -0.028926 TDE= -0.171004 logGD-logG0= -0.005209 tlogG= -0.022903 logG= -0.028112 Density= 0.107568 ETOT(band)= -0.116351 trlgG= -0.145551 logG= -0.028112 TDE= -0.170669 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.023668 logG= -0.028770 logGD-logG0= -0.004808 tlogG= -0.023017 logG= -0.027825 Density= 0.106930 ETOT(band)= -0.116988 trlgG= -0.146512 logG= -0.028770 TDE= -0.170656 logGD-logG0= -0.004836 tlogG= -0.023526 logG= -0.028362 Density= 0.106724 ETOT(band)= -0.116870 trlgG= -0.146167 logG= -0.028362 TDE= -0.170617 Density= 0.106822 ETOT(band)= -0.116547 trlgG= -0.145420 logG= -0.027825 TDE= -0.170456 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.023718 logG= -0.028523 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106926 ETOT(band)= -0.116899 trlgG= -0.146702 logG= -0.028523 TDE= -0.171091 logGD-logG0= -0.004836 tlogG= -0.022882 logG= -0.027718 Density= 0.107247 ETOT(band)= -0.116293 trlgG= -0.145266 logG= -0.027718 TDE= -0.170619 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.024100 logG= -0.029079 Density= 0.107008 ETOT(band)= -0.117152 trlgG= -0.147379 logG= -0.029079 TDE= -0.171253 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005366 tlogG= -0.023905 logG= -0.029271 Density= 0.107870 ETOT(band)= -0.116856 trlgG= -0.147405 logG= -0.029271 TDE= -0.171513 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005401 tlogG= -0.023224 logG= -0.028625 logGD-logG0= -0.005404 tlogG= -0.023614 logG= -0.029018 Density= 0.107636 ETOT(band)= -0.116599 trlgG= -0.146361 logG= -0.028625 TDE= -0.171000 Density= 0.107753 ETOT(band)= -0.116760 trlgG= -0.146990 logG= -0.029018 TDE= -0.171294 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005356 tlogG= -0.024093 logG= -0.029449 Density= 0.107901 ETOT(band)= -0.116963 trlgG= -0.147702 logG= -0.029449 TDE= -0.171649 logGD-logG0= -0.009942 tlogG= -0.045651 logG= -0.055593 Density= 0.214264 ETOT(band)= -0.232770 trlgG= -0.290613 logG= -0.055593 TDE= -0.341048 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009981 tlogG= -0.048305 logG= -0.058286 logGD-logG0= -0.009662 tlogG= -0.045820 logG= -0.055483 Density= 0.214920 ETOT(band)= -0.232418 trlgG= -0.290432 logG= -0.055483 TDE= -0.341303 logGD-logG0= -0.009846 tlogG= -0.047222 logG= -0.057067 Density= 0.213669 ETOT(band)= -0.233857 trlgG= -0.293257 logG= -0.057067 TDE= -0.341924 Density= 0.214307 ETOT(band)= -0.234261 trlgG= -0.294831 logG= -0.058286 TDE= -0.342594 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010127 tlogG= -0.047962 logG= -0.058089 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010508 tlogG= -0.048038 logG= -0.058547 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002447 tlogG= -0.010441 logG= -0.012888 Density= 0.054353 ETOT(band)= -0.057098 trlgG= -0.070797 logG= -0.012888 TDE= -0.084805 Density= 0.213874 ETOT(band)= -0.234301 trlgG= -0.294521 logG= -0.058089 TDE= -0.342267 Density= 0.214982 ETOT(band)= -0.234091 trlgG= -0.294760 logG= -0.058547 TDE= -0.342597 logGD-logG0= -0.009746 tlogG= -0.047982 logG= -0.057728 Density= 0.213175 ETOT(band)= -0.234367 trlgG= -0.293976 logG= -0.057728 TDE= -0.341738 logGD-logG0= -0.010704 tlogG= -0.047807 logG= -0.058510 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010659 tlogG= -0.048140 logG= -0.058800 Density= 0.214979 ETOT(band)= -0.234236 trlgG= -0.295176 logG= -0.058800 TDE= -0.342759 Density= 0.214665 ETOT(band)= -0.234183 trlgG= -0.294666 logG= -0.058510 TDE= -0.342382 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010251 tlogG= -0.048090 logG= -0.058341 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009618 tlogG= -0.047509 logG= -0.057127 Density= 0.214215 ETOT(band)= -0.233686 trlgG= -0.293385 logG= -0.057127 TDE= -0.342262 Density= 0.214438 ETOT(band)= -0.234208 trlgG= -0.294578 logG= -0.058341 TDE= -0.342352 logGD-logG0= -0.010742 tlogG= -0.048073 logG= -0.058815 Density= 0.215016 ETOT(band)= -0.234227 trlgG= -0.295204 logG= -0.058815 TDE= -0.342789 logGD-logG0= -0.010048 tlogG= -0.045708 logG= -0.055756 Density= 0.215053 ETOT(band)= -0.232492 trlgG= -0.290423 logG= -0.055756 TDE= -0.341085 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010569 tlogG= -0.047846 logG= -0.058415 Density= 0.214563 ETOT(band)= -0.234178 trlgG= -0.294498 logG= -0.058415 TDE= -0.342259 logGD-logG0= -0.010018 tlogG= -0.047206 logG= -0.057223 Density= 0.213681 ETOT(band)= -0.233901 trlgG= -0.293048 logG= -0.057223 TDE= -0.341564 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.047718 logG= -0.058090 Density= 0.213854 ETOT(band)= -0.234288 trlgG= -0.294273 logG= -0.058090 TDE= -0.342009 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010805 tlogG= -0.046935 logG= -0.057740 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002509 tlogG= -0.010856 logG= -0.013365 Density= 0.054038 ETOT(band)= -0.057617 trlgG= -0.071645 logG= -0.013365 TDE= -0.085021 logGD-logG0= -0.001465 tlogG= -0.007975 logG= -0.009440 Density= 0.070833 ETOT(band)= -0.077991 trlgG= -0.097603 logG= -0.009440 TDE= -0.056980 logGD-logG0= -0.010602 tlogG= -0.047363 logG= -0.057964 Density= 0.214167 ETOT(band)= -0.234079 trlgG= -0.293748 logG= -0.057964 TDE= -0.341764 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215337 ETOT(band)= -0.233444 trlgG= -0.293502 logG= -0.057740 TDE= -0.342321 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010783 tlogG= -0.047598 logG= -0.058381 Density= 0.215609 ETOT(band)= -0.233680 trlgG= -0.294542 logG= -0.058381 TDE= -0.342855 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.048011 logG= -0.058719 Density= 0.215806 ETOT(band)= -0.233796 trlgG= -0.295104 logG= -0.058719 TDE= -0.343176 logGD-logG0= -0.010764 tlogG= -0.047477 logG= -0.058241 Density= 0.215376 ETOT(band)= -0.233722 trlgG= -0.294304 logG= -0.058241 TDE= -0.342641 logGD-logG0= -0.010764 tlogG= -0.047960 logG= -0.058724 Density= 0.215677 ETOT(band)= -0.233869 trlgG= -0.295108 logG= -0.058724 TDE= -0.343112 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010364 tlogG= -0.046470 logG= -0.056834 Density= 0.215121 ETOT(band)= -0.233055 trlgG= -0.292058 logG= -0.056834 TDE= -0.341677 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001722 tlogG= -0.007314 logG= -0.009036 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035827 ETOT(band)= -0.038594 trlgG= -0.047980 logG= -0.009036 TDE= -0.056673 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009313 tlogG= -0.047686 logG= -0.056998 Density= 0.212825 ETOT(band)= -0.234160 trlgG= -0.293331 logG= -0.056998 TDE= -0.341649 logGD-logG0= -0.009974 tlogG= -0.047285 logG= -0.057259 Density= 0.214382 ETOT(band)= -0.233646 trlgG= -0.293156 logG= -0.057259 TDE= -0.341984 logGD-logG0= -0.004397 tlogG= -0.024160 logG= -0.028557 Density= 0.212069 ETOT(band)= -0.234502 trlgG= -0.294139 logG= -0.028557 TDE= -0.171031 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005414 tlogG= -0.024168 logG= -0.029583 Density= 0.107765 ETOT(band)= -0.117119 trlgG= -0.147918 logG= -0.029583 TDE= -0.171663 logGD-logG0= -0.001208 tlogG= -0.005179 logG= -0.006387 Density= 0.062511 ETOT(band)= -0.067579 trlgG= -0.084336 logG= -0.006387 TDE= -0.042371 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010277 tlogG= -0.047210 logG= -0.057487 Density= 0.215058 ETOT(band)= -0.233457 trlgG= -0.293077 logG= -0.057487 TDE= -0.342012 logGD-logG0= -0.005381 tlogG= -0.024122 logG= -0.029503 Density= 0.107842 ETOT(band)= -0.117030 trlgG= -0.147792 logG= -0.029503 TDE= -0.171654 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004529 tlogG= -0.023768 logG= -0.028297 Density= 0.212986 ETOT(band)= -0.233709 trlgG= -0.292210 logG= -0.028297 TDE= -0.170832 logGD-logG0= -0.005063 tlogG= -0.022931 logG= -0.027994 Density= 0.214699 ETOT(band)= -0.232516 trlgG= -0.290125 logG= -0.027994 TDE= -0.170483 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.021906 logG= -0.026986 Density= 0.108274 ETOT(band)= -0.115299 trlgG= -0.143713 logG= -0.026986 TDE= -0.170307 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004993 tlogG= -0.021595 logG= -0.026588 Density= 0.108465 ETOT(band)= -0.114931 trlgG= -0.143032 logG= -0.026588 TDE= -0.170117 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021019 logG= -0.025931 Density= 0.108661 ETOT(band)= -0.114343 trlgG= -0.141873 logG= -0.025931 TDE= -0.169713 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010855 tlogG= -0.048204 logG= -0.059059 Density= 0.215333 ETOT(band)= -0.234252 trlgG= -0.295640 logG= -0.059059 TDE= -0.343139 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.043447 logG= -0.053647 logGD-logG0= -0.001722 tlogG= -0.007127 logG= -0.008849 Density= 0.072197 ETOT(band)= -0.076516 trlgG= -0.094982 logG= -0.008849 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216179 ETOT(band)= -0.230580 trlgG= -0.286906 logG= -0.053647 TDE= -0.340236 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021237 logG= -0.026272 Density= 0.216248 ETOT(band)= -0.230150 trlgG= -0.285962 logG= -0.026272 TDE= -0.169850 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.022500 logG= -0.027510 Density= 0.214924 ETOT(band)= -0.231779 trlgG= -0.288478 logG= -0.027510 TDE= -0.170232 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001299 tlogG= -0.005947 logG= -0.007246 Density= 0.080797 ETOT(band)= -0.087690 trlgG= -0.110528 logG= -0.007246 TDE= -0.042879 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005756 logG= -0.007036 Density= 0.080600 ETOT(band)= -0.087440 trlgG= -0.109775 logG= -0.007036 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.024035 logG= -0.029347 Density= 0.215596 ETOT(band)= -0.233970 trlgG= -0.295263 logG= -0.029347 TDE= -0.171630 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001295 tlogG= -0.005864 logG= -0.007158 logGD-logG0= -0.001259 tlogG= -0.005627 logG= -0.006887 Density= 0.080613 ETOT(band)= -0.087656 trlgG= -0.110331 logG= -0.007158 TDE= -0.042825 Density= 0.080801 ETOT(band)= -0.087011 trlgG= -0.108771 logG= -0.006887 TDE= -0.042682 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001298 tlogG= -0.005992 logG= -0.007290 Density= 0.081027 ETOT(band)= -0.087592 trlgG= -0.110579 logG= -0.007290 TDE= -0.042909 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023510 logG= -0.028856 Density= 0.215121 ETOT(band)= -0.233442 trlgG= -0.293344 logG= -0.028856 TDE= -0.171220 logGD-logG0= -0.005275 tlogG= -0.024033 logG= -0.029308 Density= 0.216265 ETOT(band)= -0.233449 trlgG= -0.294780 logG= -0.029308 TDE= -0.171647 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005345 tlogG= -0.023834 logG= -0.029179 Density= 0.215242 ETOT(band)= -0.233877 trlgG= -0.294607 logG= -0.029179 TDE= -0.171477 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023874 logG= -0.029043 Density= 0.215404 ETOT(band)= -0.233872 trlgG= -0.294713 logG= -0.029043 TDE= -0.171166 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.023273 logG= -0.028395 Density= 0.321561 ETOT(band)= -0.350742 trlgG= -0.440275 logG= -0.028395 TDE= -0.170906 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009867 tlogG= -0.046664 logG= -0.056531 Density= 0.322562 ETOT(band)= -0.349186 trlgG= -0.437056 logG= -0.056531 TDE= -0.341712 logGD-logG0= -0.010873 tlogG= -0.048104 logG= -0.058977 Density= 0.323111 ETOT(band)= -0.351156 trlgG= -0.443025 logG= -0.058977 TDE= -0.343129 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.023988 logG= -0.029159 Density= 0.214246 ETOT(band)= -0.234213 trlgG= -0.294356 logG= -0.029159 TDE= -0.171115 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.024192 logG= -0.029330 Density= 0.322303 ETOT(band)= -0.351395 trlgG= -0.442679 logG= -0.029330 TDE= -0.171283 logGD-logG0= -0.004865 tlogG= -0.024037 logG= -0.028902 Density= 0.321424 ETOT(band)= -0.351285 trlgG= -0.442003 logG= -0.028902 TDE= -0.171277 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010579 tlogG= -0.047854 logG= -0.058433 Density= 0.324215 ETOT(band)= -0.350079 trlgG= -0.441669 logG= -0.058433 TDE= -0.343134 logGD-logG0= -0.004775 tlogG= -0.023398 logG= -0.028173 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321491 ETOT(band)= -0.350237 trlgG= -0.439423 logG= -0.028173 TDE= -0.170952 logGD-logG0= -0.010626 tlogG= -0.047303 logG= -0.057929 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.022470 logG= -0.027677 Density= 0.216274 ETOT(band)= -0.231396 trlgG= -0.289031 logG= -0.027677 TDE= -0.170617 logGD-logG0= -0.004675 tlogG= -0.023999 logG= -0.028675 Density= 0.212709 ETOT(band)= -0.234396 trlgG= -0.293935 logG= -0.028675 TDE= -0.170883 Density= 0.323995 ETOT(band)= -0.349712 trlgG= -0.440322 logG= -0.057929 TDE= -0.342741 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.023448 logG= -0.028743 Density= 0.216106 ETOT(band)= -0.232768 trlgG= -0.292636 logG= -0.028743 TDE= -0.171240 logGD-logG0= -0.010500 tlogG= -0.048017 logG= -0.058517 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429018 ETOT(band)= -0.468463 trlgG= -0.589149 logG= -0.058517 TDE= -0.342258 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004584 tlogG= -0.023614 logG= -0.028198 Density= 0.212517 ETOT(band)= -0.234118 trlgG= -0.293188 logG= -0.028198 TDE= -0.170747 logGD-logG0= -0.005268 tlogG= -0.023990 logG= -0.029258 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023001 logG= -0.028268 Density= 0.216298 ETOT(band)= -0.233345 trlgG= -0.294547 logG= -0.029258 TDE= -0.171620 Density= 0.216131 ETOT(band)= -0.232194 trlgG= -0.291019 logG= -0.028268 TDE= -0.170952 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010857 tlogG= -0.048088 logG= -0.058946 logGD-logG0= -0.010676 tlogG= -0.048129 logG= -0.058805 Density= 0.429960 ETOT(band)= -0.468333 trlgG= -0.589941 logG= -0.058805 TDE= -0.342759 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431151 ETOT(band)= -0.467977 trlgG= -0.590572 logG= -0.058946 TDE= -0.343146 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005453 tlogG= -0.023933 logG= -0.029386 logGD-logG0= -0.005111 tlogG= -0.024187 logG= -0.029299 Density= 0.214649 ETOT(band)= -0.234284 trlgG= -0.294970 logG= -0.029299 TDE= -0.171288 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010845 tlogG= -0.047786 logG= -0.058630 logGD-logG0= -0.010465 tlogG= -0.048280 logG= -0.058745 Density= 0.429853 ETOT(band)= -0.468503 trlgG= -0.590270 logG= -0.058745 TDE= -0.342633 logGD-logG0= -0.010362 tlogG= -0.045685 logG= -0.056047 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010003 tlogG= -0.047913 logG= -0.057916 Density= 0.428948 ETOT(band)= -0.468166 trlgG= -0.588700 logG= -0.057916 TDE= -0.342355 logGD-logG0= -0.004874 tlogG= -0.023275 logG= -0.028149 logGD-logG0= -0.005288 tlogG= -0.023796 logG= -0.029083 Density= 0.216187 ETOT(band)= -0.233147 trlgG= -0.293843 logG= -0.029083 TDE= -0.171479 Density= 0.430568 ETOT(band)= -0.467753 trlgG= -0.589221 logG= -0.058630 TDE= -0.342775 Density= 0.323902 ETOT(band)= -0.348113 trlgG= -0.435614 logG= -0.056047 TDE= -0.341558 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004927 tlogG= -0.023868 logG= -0.028795 Density= 0.213476 ETOT(band)= -0.234269 trlgG= -0.294188 logG= -0.028795 TDE= -0.171101 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215555 ETOT(band)= -0.233872 trlgG= -0.294989 logG= -0.029386 TDE= -0.171486 Density= 0.213400 ETOT(band)= -0.233736 trlgG= -0.292669 logG= -0.028149 TDE= -0.170797 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023917 logG= -0.028617 Density= 0.213183 ETOT(band)= -0.233983 trlgG= -0.292938 logG= -0.028617 TDE= -0.170835 logGD-logG0= -0.010183 tlogG= -0.047620 logG= -0.057803 logGD-logG0= -0.001610 tlogG= -0.006884 logG= -0.008494 Density= 0.040830 ETOT(band)= -0.042693 trlgG= -0.052876 logG= -0.008494 TDE= -0.056479 Density= 0.428417 ETOT(band)= -0.467719 trlgG= -0.587099 logG= -0.057803 TDE= -0.342055 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005438 tlogG= -0.023992 logG= -0.029430 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323525 ETOT(band)= -0.350827 trlgG= -0.442764 logG= -0.029430 TDE= -0.171535 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005501 tlogG= -0.023719 logG= -0.029220 Density= 0.215316 ETOT(band)= -0.233725 trlgG= -0.294292 logG= -0.029220 TDE= -0.171309 logGD-logG0= -0.004994 tlogG= -0.021332 logG= -0.026325 Density= 0.162577 ETOT(band)= -0.173068 trlgG= -0.216235 logG= -0.026325 TDE= -0.169930 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004832 tlogG= -0.024038 logG= -0.028870 logGD-logG0= -0.010625 tlogG= -0.046481 logG= -0.057106 Density= 0.214025 ETOT(band)= -0.234205 trlgG= -0.294574 logG= -0.028870 TDE= -0.171282 Density= 0.323857 ETOT(band)= -0.349057 trlgG= -0.438235 logG= -0.057106 TDE= -0.342183 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023220 logG= -0.028486 Density= 0.214772 ETOT(band)= -0.233070 trlgG= -0.291658 logG= -0.028486 TDE= -0.170671 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009640 tlogG= -0.046767 logG= -0.056407 Density= 0.427695 ETOT(band)= -0.466368 trlgG= -0.582727 logG= -0.056407 TDE= -0.341324 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009826 tlogG= -0.047901 logG= -0.057727 Density= 0.427846 ETOT(band)= -0.468395 trlgG= -0.588734 logG= -0.057727 TDE= -0.342370 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.023401 logG= -0.028144 logGD-logG0= -0.005406 tlogG= -0.024157 logG= -0.029563 logGD-logG0= -0.010330 tlogG= -0.048209 logG= -0.058540 Density= 0.215628 ETOT(band)= -0.234126 trlgG= -0.295679 logG= -0.029563 TDE= -0.171663 Density= 0.429115 ETOT(band)= -0.468501 trlgG= -0.589501 logG= -0.058540 TDE= -0.342416 logGD-logG0= -0.005016 tlogG= -0.023907 logG= -0.028924 Density= 0.214086 ETOT(band)= -0.233492 trlgG= -0.292778 logG= -0.028144 TDE= -0.170960 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010444 tlogG= -0.047727 logG= -0.058171 Density= 0.428102 ETOT(band)= -0.468376 trlgG= -0.588064 logG= -0.058171 TDE= -0.342011 Density= 0.213692 ETOT(band)= -0.234129 trlgG= -0.293450 logG= -0.028924 TDE= -0.170845 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009686 tlogG= -0.046668 logG= -0.056354 Density= 0.427902 ETOT(band)= -0.467090 trlgG= -0.585336 logG= -0.056354 TDE= -0.341739 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005531 tlogG= -0.023382 logG= -0.028913 logGD-logG0= -0.001603 tlogG= -0.007598 logG= -0.009201 Density= 0.071464 ETOT(band)= -0.077386 trlgG= -0.096300 logG= -0.009201 TDE= -0.056755 Density= 0.215014 ETOT(band)= -0.233468 trlgG= -0.293153 logG= -0.028913 TDE= -0.171015 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.047701 logG= -0.057548 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426477 ETOT(band)= -0.468613 trlgG= -0.587874 logG= -0.057548 TDE= -0.341902 logGD-logG0= -0.010427 tlogG= -0.047628 logG= -0.058056 Density= 0.429822 ETOT(band)= -0.467352 trlgG= -0.587028 logG= -0.058056 TDE= -0.342171 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010933 tlogG= -0.047763 logG= -0.058696 Density= 0.430910 ETOT(band)= -0.467695 trlgG= -0.589578 logG= -0.058696 TDE= -0.342881 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010116 tlogG= -0.046460 logG= -0.056576 Density= 0.429338 ETOT(band)= -0.465791 trlgG= -0.582394 logG= -0.056576 TDE= -0.341433 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.024112 logG= -0.029456 Density= 0.322926 ETOT(band)= -0.351365 trlgG= -0.443331 logG= -0.029456 TDE= -0.171477 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005315 logG= -0.006541 Density= 0.081522 ETOT(band)= -0.085727 trlgG= -0.106367 logG= -0.006541 TDE= -0.042473 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010503 tlogG= -0.046989 logG= -0.057492 Density= 0.429691 ETOT(band)= -0.466705 trlgG= -0.585095 logG= -0.057492 TDE= -0.341725 logGD-logG0= -0.009800 tlogG= -0.047821 logG= -0.057621 logGD-logG0= -0.010903 tlogG= -0.047325 logG= -0.058228 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426982 ETOT(band)= -0.468160 trlgG= -0.586721 logG= -0.057621 TDE= -0.341604 Density= 0.430296 ETOT(band)= -0.467329 trlgG= -0.587748 logG= -0.058228 TDE= -0.342390 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009153 tlogG= -0.048151 logG= -0.057304 Density= 0.425334 ETOT(band)= -0.468590 trlgG= -0.587357 logG= -0.057304 TDE= -0.341883 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022357 logG= -0.027281 Density= 0.322726 ETOT(band)= -0.348154 trlgG= -0.434665 logG= -0.027281 TDE= -0.170299 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001246 tlogG= -0.005476 logG= -0.006722 Density= 0.081163 ETOT(band)= -0.086396 trlgG= -0.107529 logG= -0.006722 TDE= -0.042585 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010150 tlogG= -0.044679 logG= -0.054829 Density= 0.324142 ETOT(band)= -0.346843 trlgG= -0.432598 logG= -0.054829 TDE= -0.340878 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004884 tlogG= -0.022357 logG= -0.027241 Density= 0.214930 ETOT(band)= -0.232069 trlgG= -0.289525 logG= -0.027241 TDE= -0.170305 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.022322 logG= -0.027360 Density= 0.214161 ETOT(band)= -0.232559 trlgG= -0.289881 logG= -0.027360 TDE= -0.170219 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005167 tlogG= -0.021911 logG= -0.027078 Density= 0.216529 ETOT(band)= -0.230397 trlgG= -0.286910 logG= -0.027078 TDE= -0.170276 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.021382 logG= -0.026458 Density= 0.216923 ETOT(band)= -0.229287 trlgG= -0.284702 logG= -0.026458 TDE= -0.169943 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009996 tlogG= -0.044684 logG= -0.054680 Density= 0.431411 ETOT(band)= -0.462310 trlgG= -0.575596 logG= -0.054680 TDE= -0.340518 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.981703713170 eV TrLogG= -407.815622850974 eV Ratio to renormalize= 1.000471319581 rho-rho_expected=-0.010364145961 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 73) Finished k-point number 148 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964752878126801 0.940611558471392 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073762 logG= -0.014668 TDE= -0.085686 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002656 tlogG= -0.011991 logG= -0.014648 Density= 0.053955 ETOT(band)= -0.058445 trlgG= -0.073745 logG= -0.014648 TDE= -0.085797 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023878 logG= -0.029059 Density= 0.108195 ETOT(band)= -0.116607 trlgG= -0.147101 logG= -0.029059 TDE= -0.171583 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029263 Density= 0.107388 ETOT(band)= -0.117114 trlgG= -0.147398 logG= -0.029263 TDE= -0.171276 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 Density= 0.107861 ETOT(band)= -0.116860 trlgG= -0.147346 logG= -0.029209 TDE= -0.171512 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 Density= 0.107745 ETOT(band)= -0.116764 trlgG= -0.146932 logG= -0.028956 TDE= -0.171293 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.045659 logG= -0.055633 Density= 0.215035 ETOT(band)= -0.232500 trlgG= -0.290306 logG= -0.055633 TDE= -0.341083 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002361 tlogG= -0.011451 logG= -0.013812 Density= 0.053707 ETOT(band)= -0.058100 trlgG= -0.072577 logG= -0.013812 TDE= -0.085343 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027184 logGD-logG0= -0.005045 tlogG= -0.021879 logG= -0.026924 Density= 0.108302 ETOT(band)= -0.115485 trlgG= -0.144103 logG= -0.027184 TDE= -0.170513 Density= 0.108267 ETOT(band)= -0.115301 trlgG= -0.143654 logG= -0.026924 TDE= -0.170306 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 logGD-logG0= -0.005089 tlogG= -0.022739 logG= -0.027827 Density= 0.107175 ETOT(band)= -0.117062 trlgG= -0.147003 logG= -0.029037 TDE= -0.171001 Density= 0.108192 ETOT(band)= -0.115928 trlgG= -0.145149 logG= -0.027827 TDE= -0.170861 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028461 Density= 0.106917 ETOT(band)= -0.116903 trlgG= -0.146644 logG= -0.028461 TDE= -0.171090 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 Density= 0.106538 ETOT(band)= -0.117022 trlgG= -0.146541 logG= -0.028415 TDE= -0.170846 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 Density= 0.106698 ETOT(band)= -0.117176 trlgG= -0.147067 logG= -0.028864 TDE= -0.171003 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022858 logG= -0.027657 Density= 0.107238 ETOT(band)= -0.116297 trlgG= -0.145208 logG= -0.027657 TDE= -0.170618 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 Density= 0.053556 ETOT(band)= -0.058575 trlgG= -0.073706 logG= -0.014536 TDE= -0.085672 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 Density= 0.053532 ETOT(band)= -0.058431 trlgG= -0.073343 logG= -0.014242 TDE= -0.085592 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039098 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 Density= 0.054111 ETOT(band)= -0.058324 trlgG= -0.073623 logG= -0.014574 TDE= -0.085825 logGD-logG0= -0.005093 tlogG= -0.022462 logG= -0.027555 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108147 ETOT(band)= -0.115792 trlgG= -0.144713 logG= -0.027555 TDE= -0.170674 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.023770 logG= -0.028977 Density= 0.108123 ETOT(band)= -0.116597 trlgG= -0.146972 logG= -0.028977 TDE= -0.171500 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028149 Density= 0.108079 ETOT(band)= -0.116165 trlgG= -0.145661 logG= -0.028149 TDE= -0.170995 logGD-logG0= -0.005341 tlogG= -0.024076 logG= -0.029416 logGD-logG0= -0.005194 tlogG= -0.023956 logG= -0.029151 Density= 0.108174 ETOT(band)= -0.116672 trlgG= -0.147251 logG= -0.029151 TDE= -0.171630 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107587 ETOT(band)= -0.117127 trlgG= -0.147671 logG= -0.029416 TDE= -0.171494 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 Density= 0.108076 ETOT(band)= -0.116435 trlgG= -0.146436 logG= -0.028639 TDE= -0.171278 logGD-logG0= -0.004410 tlogG= -0.023980 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117186 trlgG= -0.146836 logG= -0.028390 TDE= -0.170953 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028658 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146956 logG= -0.028658 TDE= -0.170914 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023211 logG= -0.027893 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106676 ETOT(band)= -0.116684 trlgG= -0.145626 logG= -0.027893 TDE= -0.170521 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 logGD-logG0= -0.005373 tlogG= -0.023906 logG= -0.029279 Density= 0.107696 ETOT(band)= -0.116993 trlgG= -0.147454 logG= -0.029279 TDE= -0.171468 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147292 logG= -0.029153 TDE= -0.171248 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023611 logG= -0.028795 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108149 ETOT(band)= -0.116481 trlgG= -0.146681 logG= -0.028795 TDE= -0.171403 logGD-logG0= -0.005346 tlogG= -0.024095 logG= -0.029441 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147733 logG= -0.029441 TDE= -0.171653 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 Density= 0.108139 ETOT(band)= -0.116258 trlgG= -0.146017 logG= -0.028375 TDE= -0.171154 logGD-logG0= -0.005062 tlogG= -0.023646 logG= -0.028708 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027483 Density= 0.107576 ETOT(band)= -0.116021 trlgG= -0.144595 logG= -0.027483 TDE= -0.170346 Density= 0.106920 ETOT(band)= -0.116992 trlgG= -0.146453 logG= -0.028708 TDE= -0.170655 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.024141 logG= -0.029520 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 Density= 0.107559 ETOT(band)= -0.116355 trlgG= -0.145492 logG= -0.028050 TDE= -0.170667 Density= 0.107756 ETOT(band)= -0.117122 trlgG= -0.147859 logG= -0.029520 TDE= -0.171662 logGD-logG0= -0.004769 tlogG= -0.022995 logG= -0.027763 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106812 ETOT(band)= -0.116552 trlgG= -0.145362 logG= -0.027763 TDE= -0.170455 logGD-logG0= -0.004922 tlogG= -0.022854 logG= -0.027777 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145079 logG= -0.027777 TDE= -0.170593 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 logGD-logG0= -0.004891 tlogG= -0.023693 logG= -0.028584 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107321 ETOT(band)= -0.116782 trlgG= -0.146550 logG= -0.028584 TDE= -0.171074 Density= 0.106999 ETOT(band)= -0.117156 trlgG= -0.147320 logG= -0.029017 TDE= -0.171251 logGD-logG0= -0.005363 tlogG= -0.023199 logG= -0.028563 Density= 0.107627 ETOT(band)= -0.116603 trlgG= -0.146302 logG= -0.028563 TDE= -0.170999 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029387 Density= 0.107892 ETOT(band)= -0.116966 trlgG= -0.147644 logG= -0.029387 TDE= -0.171647 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 logGD-logG0= -0.009588 tlogG= -0.045771 logG= -0.055359 Density= 0.214902 ETOT(band)= -0.232425 trlgG= -0.290315 logG= -0.055359 TDE= -0.341301 Density= 0.106055 ETOT(band)= -0.117230 trlgG= -0.146950 logG= -0.028441 TDE= -0.170991 logGD-logG0= -0.009771 tlogG= -0.047172 logG= -0.056943 Density= 0.213649 ETOT(band)= -0.233865 trlgG= -0.293140 logG= -0.056943 TDE= -0.341921 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023505 logG= -0.028301 Density= 0.106714 ETOT(band)= -0.116874 trlgG= -0.146109 logG= -0.028301 TDE= -0.170616 logGD-logG0= -0.009906 tlogG= -0.048256 logG= -0.058162 Density= 0.214288 ETOT(band)= -0.234269 trlgG= -0.294713 logG= -0.058162 TDE= -0.342592 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.045602 logG= -0.055470 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214245 ETOT(band)= -0.232778 trlgG= -0.290497 logG= -0.055470 TDE= -0.341046 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.047939 logG= -0.057604 logGD-logG0= -0.009233 tlogG= -0.047642 logG= -0.056875 Density= 0.212805 ETOT(band)= -0.234169 trlgG= -0.293215 logG= -0.056875 TDE= -0.341646 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213155 ETOT(band)= -0.234376 trlgG= -0.293859 logG= -0.057604 TDE= -0.341735 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009543 tlogG= -0.047459 logG= -0.057003 Density= 0.214196 ETOT(band)= -0.233694 trlgG= -0.293268 logG= -0.057003 TDE= -0.342259 logGD-logG0= -0.010052 tlogG= -0.047913 logG= -0.057965 Density= 0.213854 ETOT(band)= -0.234309 trlgG= -0.294404 logG= -0.057965 TDE= -0.342265 logGD-logG0= -0.010493 tlogG= -0.047798 logG= -0.058291 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.048092 logG= -0.058675 Density= 0.214961 ETOT(band)= -0.234244 trlgG= -0.295059 logG= -0.058675 TDE= -0.342756 logGD-logG0= -0.010665 tlogG= -0.048025 logG= -0.058691 Density= 0.214544 ETOT(band)= -0.234186 trlgG= -0.294380 logG= -0.058291 TDE= -0.342257 logGD-logG0= -0.010628 tlogG= -0.047758 logG= -0.058386 Density= 0.214646 ETOT(band)= -0.234191 trlgG= -0.294549 logG= -0.058386 TDE= -0.342380 logGD-logG0= -0.009937 tlogG= -0.047163 logG= -0.057099 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214997 ETOT(band)= -0.234235 trlgG= -0.295086 logG= -0.058691 TDE= -0.342787 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213661 ETOT(band)= -0.233909 trlgG= -0.292931 logG= -0.057099 TDE= -0.341562 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.047670 logG= -0.057966 Density= 0.213835 ETOT(band)= -0.234296 trlgG= -0.294156 logG= -0.057966 TDE= -0.342007 logGD-logG0= -0.010176 tlogG= -0.048040 logG= -0.058216 Density= 0.214419 ETOT(band)= -0.234215 trlgG= -0.294461 logG= -0.058216 TDE= -0.342350 logGD-logG0= -0.010432 tlogG= -0.047990 logG= -0.058422 Density= 0.214963 ETOT(band)= -0.234099 trlgG= -0.294642 logG= -0.058422 TDE= -0.342594 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010730 tlogG= -0.046887 logG= -0.057616 Density= 0.215319 ETOT(band)= -0.233452 trlgG= -0.293385 logG= -0.057616 TDE= -0.342319 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070767 logG= -0.012857 TDE= -0.084805 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056673 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047956 logG= -0.058596 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010779 tlogG= -0.048155 logG= -0.058934 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010289 tlogG= -0.046421 logG= -0.056710 Density= 0.215103 ETOT(band)= -0.233062 trlgG= -0.291941 logG= -0.056710 TDE= -0.341675 Density= 0.215314 ETOT(band)= -0.234260 trlgG= -0.295522 logG= -0.058934 TDE= -0.343137 Density= 0.215788 ETOT(band)= -0.233803 trlgG= -0.294987 logG= -0.058596 TDE= -0.343174 logGD-logG0= -0.010714 tlogG= -0.047543 logG= -0.058257 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.047317 logG= -0.057840 Density= 0.214148 ETOT(band)= -0.234087 trlgG= -0.293631 logG= -0.057840 TDE= -0.341762 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215591 ETOT(band)= -0.233687 trlgG= -0.294425 logG= -0.058257 TDE= -0.342853 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010695 tlogG= -0.047905 logG= -0.058600 logGD-logG0= -0.009899 tlogG= -0.047236 logG= -0.057135 Density= 0.214363 ETOT(band)= -0.233654 trlgG= -0.293039 logG= -0.057135 TDE= -0.341982 Density= 0.215659 ETOT(band)= -0.233876 trlgG= -0.294990 logG= -0.058600 TDE= -0.343110 logGD-logG0= -0.010688 tlogG= -0.047430 logG= -0.058117 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215358 ETOT(band)= -0.233729 trlgG= -0.294186 logG= -0.058117 TDE= -0.342639 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047162 logG= -0.057363 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 Density= 0.215039 ETOT(band)= -0.233464 trlgG= -0.292960 logG= -0.057363 TDE= -0.342009 Density= 0.054034 ETOT(band)= -0.057618 trlgG= -0.071616 logG= -0.013334 TDE= -0.085021 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 Density= 0.108654 ETOT(band)= -0.114345 trlgG= -0.141814 logG= -0.025869 TDE= -0.169712 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005125 tlogG= -0.021823 logG= -0.026948 Density= 0.107731 ETOT(band)= -0.115592 trlgG= -0.143718 logG= -0.026948 TDE= -0.170080 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005065 tlogG= -0.021700 logG= -0.026765 logGD-logG0= -0.010126 tlogG= -0.043399 logG= -0.053524 Density= 0.216163 ETOT(band)= -0.230586 trlgG= -0.286789 logG= -0.053524 TDE= -0.340233 Density= 0.107874 ETOT(band)= -0.115399 trlgG= -0.143408 logG= -0.026765 TDE= -0.170024 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021568 logG= -0.026527 Density= 0.108458 ETOT(band)= -0.114934 trlgG= -0.142973 logG= -0.026527 TDE= -0.170116 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001290 tlogG= -0.005940 logG= -0.007231 Density= 0.080791 ETOT(band)= -0.087692 trlgG= -0.110483 logG= -0.007231 TDE= -0.042879 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087594 trlgG= -0.110535 logG= -0.007274 TDE= -0.042909 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029236 Density= 0.214630 ETOT(band)= -0.234291 trlgG= -0.294852 logG= -0.029236 TDE= -0.171287 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023906 logG= -0.029324 Density= 0.215537 ETOT(band)= -0.233879 trlgG= -0.294872 logG= -0.029324 TDE= -0.171485 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023963 logG= -0.029196 Density= 0.216282 ETOT(band)= -0.233351 trlgG= -0.294430 logG= -0.029196 TDE= -0.171619 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023692 logG= -0.029158 Density= 0.215298 ETOT(band)= -0.233732 trlgG= -0.294175 logG= -0.029158 TDE= -0.171308 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.046411 logG= -0.056453 Density= 0.429300 ETOT(band)= -0.465806 trlgG= -0.582160 logG= -0.056453 TDE= -0.341431 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010074 tlogG= -0.044630 logG= -0.054705 Density= 0.324117 ETOT(band)= -0.346852 trlgG= -0.432422 logG= -0.054705 TDE= -0.340876 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080794 ETOT(band)= -0.087013 trlgG= -0.108727 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.022444 logG= -0.027615 Density= 0.216257 ETOT(band)= -0.231402 trlgG= -0.288913 logG= -0.027615 TDE= -0.170616 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.022973 logG= -0.028206 Density= 0.216114 ETOT(band)= -0.232200 trlgG= -0.290901 logG= -0.028206 TDE= -0.170951 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.023251 logG= -0.028088 Density= 0.213380 ETOT(band)= -0.233745 trlgG= -0.292553 logG= -0.028088 TDE= -0.170795 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213456 ETOT(band)= -0.234277 trlgG= -0.294071 logG= -0.028733 TDE= -0.171100 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214067 ETOT(band)= -0.233500 trlgG= -0.292662 logG= -0.028082 TDE= -0.170959 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023963 logG= -0.029096 Density= 0.214227 ETOT(band)= -0.234221 trlgG= -0.294239 logG= -0.029096 TDE= -0.171114 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087658 trlgG= -0.110287 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109731 logG= -0.007020 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215577 ETOT(band)= -0.233977 trlgG= -0.295145 logG= -0.029285 TDE= -0.171629 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 logGD-logG0= -0.005240 tlogG= -0.024006 logG= -0.029246 Density= 0.216248 ETOT(band)= -0.233455 trlgG= -0.294663 logG= -0.029246 TDE= -0.171646 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215224 ETOT(band)= -0.233884 trlgG= -0.294490 logG= -0.029117 TDE= -0.171476 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007968 logG= -0.009419 Density= 0.070826 ETOT(band)= -0.077994 trlgG= -0.097564 logG= -0.009419 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028839 Density= 0.321395 ETOT(band)= -0.351297 trlgG= -0.441827 logG= -0.028839 TDE= -0.171276 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023850 logG= -0.028981 Density= 0.215386 ETOT(band)= -0.233879 trlgG= -0.294595 logG= -0.028981 TDE= -0.171164 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 Density= 0.215103 ETOT(band)= -0.233449 trlgG= -0.293226 logG= -0.028794 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047800 logG= -0.058310 Density= 0.324189 ETOT(band)= -0.350089 trlgG= -0.441493 logG= -0.058310 TDE= -0.343131 logGD-logG0= -0.010286 tlogG= -0.045637 logG= -0.055923 Density= 0.323876 ETOT(band)= -0.348123 trlgG= -0.435437 logG= -0.055923 TDE= -0.341555 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029267 Density= 0.322275 ETOT(band)= -0.351406 trlgG= -0.442503 logG= -0.029267 TDE= -0.171282 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010800 tlogG= -0.048052 logG= -0.058852 Density= 0.323083 ETOT(band)= -0.351167 trlgG= -0.442848 logG= -0.058852 TDE= -0.343126 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023249 logG= -0.028333 Density= 0.321532 ETOT(band)= -0.350754 trlgG= -0.440100 logG= -0.028333 TDE= -0.170905 logGD-logG0= -0.010557 tlogG= -0.047248 logG= -0.057805 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323969 ETOT(band)= -0.349722 trlgG= -0.440145 logG= -0.057805 TDE= -0.342739 logGD-logG0= -0.005403 tlogG= -0.023965 logG= -0.029368 Density= 0.323498 ETOT(band)= -0.350837 trlgG= -0.442588 logG= -0.029368 TDE= -0.171533 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029500 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215610 ETOT(band)= -0.234133 trlgG= -0.295561 logG= -0.029500 TDE= -0.171662 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027179 Density= 0.214912 ETOT(band)= -0.232076 trlgG= -0.289409 logG= -0.027179 TDE= -0.170304 Density= 0.321462 ETOT(band)= -0.350249 trlgG= -0.439248 logG= -0.028111 TDE= -0.170951 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.046426 logG= -0.056982 Density= 0.323831 ETOT(band)= -0.349067 trlgG= -0.438059 logG= -0.056982 TDE= -0.342181 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028235 logGD-logG0= -0.004636 tlogG= -0.023977 logG= -0.028613 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 Density= 0.212497 ETOT(band)= -0.234128 trlgG= -0.293072 logG= -0.028137 TDE= -0.170746 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212688 ETOT(band)= -0.234405 trlgG= -0.293819 logG= -0.028613 TDE= -0.170882 logGD-logG0= -0.005260 tlogG= -0.023421 logG= -0.028681 Density= 0.216088 ETOT(band)= -0.232774 trlgG= -0.292518 logG= -0.028681 TDE= -0.171238 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.024088 logG= -0.029394 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322898 ETOT(band)= -0.351376 trlgG= -0.443154 logG= -0.029394 TDE= -0.171475 Density= 0.212966 ETOT(band)= -0.233718 trlgG= -0.292095 logG= -0.028235 TDE= -0.170831 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023768 logG= -0.029022 Density= 0.216170 ETOT(band)= -0.233153 trlgG= -0.293725 logG= -0.029022 TDE= -0.171478 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028862 Density= 0.213672 ETOT(band)= -0.234137 trlgG= -0.293333 logG= -0.028862 TDE= -0.170844 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008474 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052853 logG= -0.008474 TDE= -0.056478 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046615 logG= -0.056407 Density= 0.322534 ETOT(band)= -0.349197 trlgG= -0.436880 logG= -0.056407 TDE= -0.341710 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046619 logG= -0.056230 Density= 0.427863 ETOT(band)= -0.467107 trlgG= -0.585103 logG= -0.056230 TDE= -0.341736 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027933 Density= 0.214681 ETOT(band)= -0.232524 trlgG= -0.290008 logG= -0.027933 TDE= -0.170482 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067581 trlgG= -0.084302 logG= -0.006371 TDE= -0.042371 Density= 0.214006 ETOT(band)= -0.234213 trlgG= -0.294457 logG= -0.028808 TDE= -0.171281 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009751 tlogG= -0.047852 logG= -0.057603 logGD-logG0= -0.010255 tlogG= -0.048160 logG= -0.058415 Density= 0.429077 ETOT(band)= -0.468517 trlgG= -0.589266 logG= -0.058415 TDE= -0.342413 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427807 ETOT(band)= -0.468411 trlgG= -0.588500 logG= -0.057603 TDE= -0.342368 logGD-logG0= -0.010368 tlogG= -0.047679 logG= -0.058046 Density= 0.428063 ETOT(band)= -0.468392 trlgG= -0.587830 logG= -0.058046 TDE= -0.342009 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010425 tlogG= -0.047968 logG= -0.058392 Density= 0.428980 ETOT(band)= -0.468479 trlgG= -0.588914 logG= -0.058392 TDE= -0.342255 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028425 logGD-logG0= -0.010389 tlogG= -0.048232 logG= -0.058621 Density= 0.214754 ETOT(band)= -0.233077 trlgG= -0.291541 logG= -0.028425 TDE= -0.170669 Density= 0.429816 ETOT(band)= -0.468518 trlgG= -0.590035 logG= -0.058621 TDE= -0.342631 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028851 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214995 ETOT(band)= -0.233476 trlgG= -0.293035 logG= -0.028851 TDE= -0.171014 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010864 tlogG= -0.047708 logG= -0.058572 Density= 0.430873 ETOT(band)= -0.467709 trlgG= -0.589343 logG= -0.058572 TDE= -0.342879 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028556 Density= 0.213163 ETOT(band)= -0.233992 trlgG= -0.292822 logG= -0.028556 TDE= -0.170834 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048080 logG= -0.058680 Density= 0.429922 ETOT(band)= -0.468348 trlgG= -0.589706 logG= -0.058680 TDE= -0.342756 logGD-logG0= -0.010427 tlogG= -0.046940 logG= -0.057368 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096262 logG= -0.009180 TDE= -0.056755 Density= 0.429653 ETOT(band)= -0.466720 trlgG= -0.584861 logG= -0.057368 TDE= -0.341723 logGD-logG0= -0.009927 tlogG= -0.047864 logG= -0.057792 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428910 ETOT(band)= -0.468182 trlgG= -0.588465 logG= -0.057792 TDE= -0.342353 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.046723 logG= -0.056283 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427655 ETOT(band)= -0.466385 trlgG= -0.582495 logG= -0.056283 TDE= -0.341321 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010768 tlogG= -0.047738 logG= -0.058506 logGD-logG0= -0.009073 tlogG= -0.048106 logG= -0.057180 Density= 0.425293 ETOT(band)= -0.468609 trlgG= -0.587125 logG= -0.057180 TDE= -0.341881 logGD-logG0= -0.010827 tlogG= -0.047277 logG= -0.058104 Density= 0.430531 ETOT(band)= -0.467768 trlgG= -0.588986 logG= -0.058506 TDE= -0.342772 Density= 0.430259 ETOT(band)= -0.467344 trlgG= -0.587513 logG= -0.058104 TDE= -0.342388 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021305 logG= -0.026264 Density= 0.162566 ETOT(band)= -0.173072 trlgG= -0.216147 logG= -0.026264 TDE= -0.169929 logGD-logG0= -0.010788 tlogG= -0.048033 logG= -0.058821 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431115 ETOT(band)= -0.467992 trlgG= -0.590337 logG= -0.058821 TDE= -0.343144 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.047571 logG= -0.057679 Density= 0.428378 ETOT(band)= -0.467735 trlgG= -0.586865 logG= -0.057679 TDE= -0.342053 logGD-logG0= -0.009766 tlogG= -0.047658 logG= -0.057424 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426437 ETOT(band)= -0.468630 trlgG= -0.587641 logG= -0.057424 TDE= -0.341900 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 Density= 0.322700 ETOT(band)= -0.348165 trlgG= -0.434489 logG= -0.027220 TDE= -0.170298 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010352 tlogG= -0.047580 logG= -0.057932 Density= 0.429785 ETOT(band)= -0.467367 trlgG= -0.586793 logG= -0.057932 TDE= -0.342168 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047777 logG= -0.057497 Density= 0.426942 ETOT(band)= -0.468177 trlgG= -0.586488 logG= -0.057497 TDE= -0.341601 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212048 ETOT(band)= -0.234511 trlgG= -0.294024 logG= -0.028495 TDE= -0.171029 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081517 ETOT(band)= -0.085729 trlgG= -0.106323 logG= -0.006526 TDE= -0.042473 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086398 trlgG= -0.107485 logG= -0.006707 TDE= -0.042584 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094943 logG= -0.008829 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.022298 logG= -0.027299 Density= 0.214142 ETOT(band)= -0.232567 trlgG= -0.289766 logG= -0.027299 TDE= -0.170217 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004970 tlogG= -0.022478 logG= -0.027449 Density= 0.214906 ETOT(band)= -0.231786 trlgG= -0.288362 logG= -0.027449 TDE= -0.170231 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.021355 logG= -0.026397 Density= 0.216908 ETOT(band)= -0.229292 trlgG= -0.284584 logG= -0.026397 TDE= -0.169942 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021210 logG= -0.026210 Density= 0.216232 ETOT(band)= -0.230156 trlgG= -0.285845 logG= -0.026210 TDE= -0.169848 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009922 tlogG= -0.044635 logG= -0.054557 Density= 0.431378 ETOT(band)= -0.462322 trlgG= -0.575362 logG= -0.054557 TDE= -0.340515 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005133 tlogG= -0.021884 logG= -0.027016 Density= 0.216514 ETOT(band)= -0.230402 trlgG= -0.286792 logG= -0.027016 TDE= -0.170275 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.992105674196 eV TrLogG= -407.639768759103 eV Ratio to renormalize= 1.000557183068 rho-rho_expected=-0.012251201324 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964771069753534 0.940633436187194 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056895 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039099 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 Density= 0.106056 ETOT(band)= -0.117231 trlgG= -0.146950 logG= -0.028441 TDE= -0.170991 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027483 Density= 0.107576 ETOT(band)= -0.116022 trlgG= -0.144595 logG= -0.027483 TDE= -0.170346 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070767 logG= -0.012857 TDE= -0.084805 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021568 logG= -0.026526 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 Density= 0.108654 ETOT(band)= -0.114345 trlgG= -0.141814 logG= -0.025869 TDE= -0.169712 Density= 0.108458 ETOT(band)= -0.114934 trlgG= -0.142973 logG= -0.026526 TDE= -0.170117 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005065 tlogG= -0.021699 logG= -0.026765 Density= 0.107874 ETOT(band)= -0.115399 trlgG= -0.143408 logG= -0.026765 TDE= -0.170024 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 Density= 0.053556 ETOT(band)= -0.058575 trlgG= -0.073706 logG= -0.014536 TDE= -0.085672 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 Density= 0.054111 ETOT(band)= -0.058324 trlgG= -0.073623 logG= -0.014574 TDE= -0.085825 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002656 tlogG= -0.011991 logG= -0.014648 Density= 0.053956 ETOT(band)= -0.058445 trlgG= -0.073745 logG= -0.014648 TDE= -0.085797 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023611 logG= -0.028795 Density= 0.108149 ETOT(band)= -0.116482 trlgG= -0.146681 logG= -0.028795 TDE= -0.171403 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.045602 logG= -0.055470 Density= 0.214246 ETOT(band)= -0.232778 trlgG= -0.290497 logG= -0.055470 TDE= -0.341046 logGD-logG0= -0.009233 tlogG= -0.047642 logG= -0.056874 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212805 ETOT(band)= -0.234169 trlgG= -0.293215 logG= -0.056874 TDE= -0.341647 logGD-logG0= -0.002361 tlogG= -0.011451 logG= -0.013812 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053707 ETOT(band)= -0.058100 trlgG= -0.072578 logG= -0.013812 TDE= -0.085343 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.045659 logG= -0.055632 Density= 0.215035 ETOT(band)= -0.232500 trlgG= -0.290306 logG= -0.055632 TDE= -0.341084 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058432 trlgG= -0.073343 logG= -0.014242 TDE= -0.085592 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073763 logG= -0.014668 TDE= -0.085686 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.022462 logG= -0.027555 Density= 0.108147 ETOT(band)= -0.115792 trlgG= -0.144713 logG= -0.027555 TDE= -0.170674 logGD-logG0= -0.005207 tlogG= -0.023770 logG= -0.028977 Density= 0.108124 ETOT(band)= -0.116597 trlgG= -0.146972 logG= -0.028977 TDE= -0.171500 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028149 Density= 0.108079 ETOT(band)= -0.116165 trlgG= -0.145661 logG= -0.028149 TDE= -0.170995 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023956 logG= -0.029151 Density= 0.108175 ETOT(band)= -0.116672 trlgG= -0.147251 logG= -0.029151 TDE= -0.171630 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 Density= 0.108076 ETOT(band)= -0.116435 trlgG= -0.146436 logG= -0.028639 TDE= -0.171279 logGD-logG0= -0.004410 tlogG= -0.023980 logG= -0.028390 logGD-logG0= -0.004890 tlogG= -0.023693 logG= -0.028584 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107321 ETOT(band)= -0.116782 trlgG= -0.146550 logG= -0.028584 TDE= -0.171074 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027184 Density= 0.106107 ETOT(band)= -0.117187 trlgG= -0.146836 logG= -0.028390 TDE= -0.170953 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108303 ETOT(band)= -0.115485 trlgG= -0.144103 logG= -0.027184 TDE= -0.170513 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023211 logG= -0.027893 Density= 0.106676 ETOT(band)= -0.116684 trlgG= -0.145626 logG= -0.027893 TDE= -0.170522 logGD-logG0= -0.005181 tlogG= -0.023878 logG= -0.029059 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108195 ETOT(band)= -0.116607 trlgG= -0.147101 logG= -0.029059 TDE= -0.171583 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 logGD-logG0= -0.005373 tlogG= -0.023906 logG= -0.029279 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 Density= 0.108139 ETOT(band)= -0.116258 trlgG= -0.146017 logG= -0.028375 TDE= -0.171155 Density= 0.107175 ETOT(band)= -0.117062 trlgG= -0.147003 logG= -0.029037 TDE= -0.171002 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107697 ETOT(band)= -0.116993 trlgG= -0.147454 logG= -0.029279 TDE= -0.171469 logGD-logG0= -0.005341 tlogG= -0.024075 logG= -0.029416 logGD-logG0= -0.005346 tlogG= -0.024094 logG= -0.029441 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.024141 logG= -0.029520 Density= 0.107756 ETOT(band)= -0.117123 trlgG= -0.147859 logG= -0.029520 TDE= -0.171662 Density= 0.107587 ETOT(band)= -0.117127 trlgG= -0.147671 logG= -0.029416 TDE= -0.171494 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147733 logG= -0.029441 TDE= -0.171654 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023646 logG= -0.028708 Density= 0.106920 ETOT(band)= -0.116992 trlgG= -0.146454 logG= -0.028708 TDE= -0.170655 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029263 logGD-logG0= -0.005089 tlogG= -0.022738 logG= -0.027827 Density= 0.107388 ETOT(band)= -0.117114 trlgG= -0.147398 logG= -0.029263 TDE= -0.171276 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.022854 logG= -0.027776 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145079 logG= -0.027776 TDE= -0.170593 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 Density= 0.106538 ETOT(band)= -0.117022 trlgG= -0.146541 logG= -0.028415 TDE= -0.170846 Density= 0.108193 ETOT(band)= -0.115928 trlgG= -0.145149 logG= -0.027827 TDE= -0.170861 logGD-logG0= -0.005045 tlogG= -0.021879 logG= -0.026924 Density= 0.108267 ETOT(band)= -0.115301 trlgG= -0.143654 logG= -0.026924 TDE= -0.170306 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028658 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147292 logG= -0.029153 TDE= -0.171248 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146957 logG= -0.028658 TDE= -0.170915 logGD-logG0= -0.004768 tlogG= -0.022995 logG= -0.027763 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028461 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106917 ETOT(band)= -0.116903 trlgG= -0.146644 logG= -0.028461 TDE= -0.171090 Density= 0.106812 ETOT(band)= -0.116552 trlgG= -0.145362 logG= -0.027763 TDE= -0.170455 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 Density= 0.107559 ETOT(band)= -0.116355 trlgG= -0.145492 logG= -0.028050 TDE= -0.170668 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 Density= 0.106698 ETOT(band)= -0.117176 trlgG= -0.147068 logG= -0.028864 TDE= -0.171003 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 Density= 0.106999 ETOT(band)= -0.117156 trlgG= -0.147320 logG= -0.029017 TDE= -0.171252 logGD-logG0= -0.004796 tlogG= -0.023505 logG= -0.028300 Density= 0.106714 ETOT(band)= -0.116875 trlgG= -0.146109 logG= -0.028300 TDE= -0.170616 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023199 logG= -0.028563 Density= 0.107627 ETOT(band)= -0.116603 trlgG= -0.146302 logG= -0.028563 TDE= -0.170999 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022857 logG= -0.027657 Density= 0.107238 ETOT(band)= -0.116297 trlgG= -0.145208 logG= -0.027657 TDE= -0.170619 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 Density= 0.107861 ETOT(band)= -0.116860 trlgG= -0.147347 logG= -0.029209 TDE= -0.171512 Density= 0.107745 ETOT(band)= -0.116764 trlgG= -0.146932 logG= -0.028956 TDE= -0.171293 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009906 tlogG= -0.048256 logG= -0.058162 logGD-logG0= -0.001452 tlogG= -0.007967 logG= -0.009419 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214288 ETOT(band)= -0.234270 trlgG= -0.294714 logG= -0.058162 TDE= -0.342593 Density= 0.070826 ETOT(band)= -0.077995 trlgG= -0.097564 logG= -0.009419 TDE= -0.056980 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009588 tlogG= -0.045771 logG= -0.055359 Density= 0.214902 ETOT(band)= -0.232425 trlgG= -0.290316 logG= -0.055359 TDE= -0.341301 logGD-logG0= -0.009771 tlogG= -0.047172 logG= -0.056943 Density= 0.213649 ETOT(band)= -0.233866 trlgG= -0.293140 logG= -0.056943 TDE= -0.341922 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010052 tlogG= -0.047913 logG= -0.057965 Density= 0.213854 ETOT(band)= -0.234310 trlgG= -0.294404 logG= -0.057965 TDE= -0.342265 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010628 tlogG= -0.047758 logG= -0.058386 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009937 tlogG= -0.047163 logG= -0.057099 Density= 0.214646 ETOT(band)= -0.234191 trlgG= -0.294549 logG= -0.058386 TDE= -0.342381 logGD-logG0= -0.009665 tlogG= -0.047939 logG= -0.057604 Density= 0.213661 ETOT(band)= -0.233910 trlgG= -0.292932 logG= -0.057099 TDE= -0.341563 Density= 0.213155 ETOT(band)= -0.234377 trlgG= -0.293860 logG= -0.057604 TDE= -0.341736 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009543 tlogG= -0.047459 logG= -0.057003 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214196 ETOT(band)= -0.233694 trlgG= -0.293268 logG= -0.057003 TDE= -0.342260 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010493 tlogG= -0.047797 logG= -0.058290 Density= 0.214545 ETOT(band)= -0.234186 trlgG= -0.294380 logG= -0.058290 TDE= -0.342257 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.047670 logG= -0.057965 Density= 0.213835 ETOT(band)= -0.234297 trlgG= -0.294156 logG= -0.057965 TDE= -0.342007 logGD-logG0= -0.010432 tlogG= -0.047989 logG= -0.058422 Density= 0.214963 ETOT(band)= -0.234099 trlgG= -0.294642 logG= -0.058422 TDE= -0.342595 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056673 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029386 Density= 0.107892 ETOT(band)= -0.116966 trlgG= -0.147644 logG= -0.029386 TDE= -0.171648 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010665 tlogG= -0.048025 logG= -0.058690 Density= 0.214998 ETOT(band)= -0.234235 trlgG= -0.295086 logG= -0.058690 TDE= -0.342787 logGD-logG0= -0.010583 tlogG= -0.048092 logG= -0.058675 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214961 ETOT(band)= -0.234244 trlgG= -0.295059 logG= -0.058675 TDE= -0.342757 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.047543 logG= -0.058257 logGD-logG0= -0.010729 tlogG= -0.046887 logG= -0.057616 Density= 0.215320 ETOT(band)= -0.233452 trlgG= -0.293385 logG= -0.057616 TDE= -0.342319 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 Density= 0.215592 ETOT(band)= -0.233687 trlgG= -0.294425 logG= -0.058257 TDE= -0.342854 logGD-logG0= -0.010639 tlogG= -0.047956 logG= -0.058595 Density= 0.215789 ETOT(band)= -0.233803 trlgG= -0.294987 logG= -0.058595 TDE= -0.343175 logGD-logG0= -0.010779 tlogG= -0.048155 logG= -0.058933 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215315 ETOT(band)= -0.234260 trlgG= -0.295522 logG= -0.058933 TDE= -0.343137 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010176 tlogG= -0.048040 logG= -0.058216 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214419 ETOT(band)= -0.234216 trlgG= -0.294461 logG= -0.058216 TDE= -0.342351 logGD-logG0= -0.001199 tlogG= -0.005172 logG= -0.006371 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062506 ETOT(band)= -0.067582 trlgG= -0.084302 logG= -0.006371 TDE= -0.042371 logGD-logG0= -0.010523 tlogG= -0.047317 logG= -0.057840 logGD-logG0= -0.010289 tlogG= -0.046421 logG= -0.056710 Density= 0.215103 ETOT(band)= -0.233062 trlgG= -0.291941 logG= -0.056710 TDE= -0.341675 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214149 ETOT(band)= -0.234088 trlgG= -0.293631 logG= -0.057840 TDE= -0.341763 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010694 tlogG= -0.047905 logG= -0.058599 logGD-logG0= -0.010688 tlogG= -0.047429 logG= -0.058117 Density= 0.215359 ETOT(band)= -0.233729 trlgG= -0.294186 logG= -0.058117 TDE= -0.342640 Density= 0.215660 ETOT(band)= -0.233876 trlgG= -0.294990 logG= -0.058599 TDE= -0.343110 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027932 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214681 ETOT(band)= -0.232524 trlgG= -0.290009 logG= -0.027932 TDE= -0.170482 logGD-logG0= -0.009899 tlogG= -0.047236 logG= -0.057135 Density= 0.214363 ETOT(band)= -0.233654 trlgG= -0.293039 logG= -0.057135 TDE= -0.341982 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047162 logG= -0.057362 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215040 ETOT(band)= -0.233464 trlgG= -0.292960 logG= -0.057362 TDE= -0.342010 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212049 ETOT(band)= -0.234512 trlgG= -0.294024 logG= -0.028495 TDE= -0.171030 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081517 ETOT(band)= -0.085729 trlgG= -0.106323 logG= -0.006526 TDE= -0.042473 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 Density= 0.054035 ETOT(band)= -0.057618 trlgG= -0.071616 logG= -0.013334 TDE= -0.085021 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005125 tlogG= -0.021823 logG= -0.026948 Density= 0.107731 ETOT(band)= -0.115593 trlgG= -0.143718 logG= -0.026948 TDE= -0.170081 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010125 tlogG= -0.043398 logG= -0.053524 Density= 0.216164 ETOT(band)= -0.230586 trlgG= -0.286789 logG= -0.053524 TDE= -0.340234 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005042 tlogG= -0.021355 logG= -0.026397 Density= 0.216909 ETOT(band)= -0.229292 trlgG= -0.284584 logG= -0.026397 TDE= -0.169943 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021210 logG= -0.026210 Density= 0.216232 ETOT(band)= -0.230156 trlgG= -0.285845 logG= -0.026210 TDE= -0.169849 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005133 tlogG= -0.021884 logG= -0.027016 Density= 0.216515 ETOT(band)= -0.230402 trlgG= -0.286792 logG= -0.027016 TDE= -0.170275 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087658 trlgG= -0.110287 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087594 trlgG= -0.110535 logG= -0.007274 TDE= -0.042909 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023768 logG= -0.029022 Density= 0.216171 ETOT(band)= -0.233154 trlgG= -0.293725 logG= -0.029022 TDE= -0.171478 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009073 tlogG= -0.048106 logG= -0.057179 Density= 0.425294 ETOT(band)= -0.468610 trlgG= -0.587126 logG= -0.057179 TDE= -0.341881 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009560 tlogG= -0.046723 logG= -0.056283 Density= 0.427656 ETOT(band)= -0.466386 trlgG= -0.582496 logG= -0.056283 TDE= -0.341322 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021305 logG= -0.026264 Density= 0.162566 ETOT(band)= -0.173072 trlgG= -0.216147 logG= -0.026264 TDE= -0.169929 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010041 tlogG= -0.046411 logG= -0.056452 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.429301 ETOT(band)= -0.465807 trlgG= -0.582160 logG= -0.056452 TDE= -0.341432 Density= 0.080795 ETOT(band)= -0.087013 trlgG= -0.108727 logG= -0.006871 TDE= -0.042682 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001290 tlogG= -0.005940 logG= -0.007231 Density= 0.080791 ETOT(band)= -0.087693 trlgG= -0.110484 logG= -0.007231 TDE= -0.042879 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109731 logG= -0.007020 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010074 tlogG= -0.044630 logG= -0.054704 Density= 0.324118 ETOT(band)= -0.346852 trlgG= -0.432422 logG= -0.054704 TDE= -0.340877 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 Density= 0.215224 ETOT(band)= -0.233884 trlgG= -0.294490 logG= -0.029117 TDE= -0.171476 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215103 ETOT(band)= -0.233450 trlgG= -0.293227 logG= -0.028794 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024006 logG= -0.029246 Density= 0.216248 ETOT(band)= -0.233456 trlgG= -0.294663 logG= -0.029246 TDE= -0.171646 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215578 ETOT(band)= -0.233977 trlgG= -0.295145 logG= -0.029285 TDE= -0.171629 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028839 Density= 0.321396 ETOT(band)= -0.351298 trlgG= -0.441827 logG= -0.028839 TDE= -0.171277 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047800 logG= -0.058309 logGD-logG0= -0.005133 tlogG= -0.023963 logG= -0.029096 Density= 0.214227 ETOT(band)= -0.234221 trlgG= -0.294239 logG= -0.029096 TDE= -0.171115 Density= 0.324190 ETOT(band)= -0.350089 trlgG= -0.441493 logG= -0.058309 TDE= -0.343132 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029500 logGD-logG0= -0.005233 tlogG= -0.023963 logG= -0.029196 Density= 0.215611 ETOT(band)= -0.234133 trlgG= -0.295562 logG= -0.029500 TDE= -0.171662 Density= 0.216282 ETOT(band)= -0.233351 trlgG= -0.294430 logG= -0.029196 TDE= -0.171619 logGD-logG0= -0.005172 tlogG= -0.022444 logG= -0.027615 Density= 0.216258 ETOT(band)= -0.231402 trlgG= -0.288913 logG= -0.027615 TDE= -0.170616 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028235 Density= 0.212966 ETOT(band)= -0.233718 trlgG= -0.292095 logG= -0.028235 TDE= -0.170831 logGD-logG0= -0.005260 tlogG= -0.023421 logG= -0.028681 Density= 0.216089 ETOT(band)= -0.232774 trlgG= -0.292518 logG= -0.028681 TDE= -0.171239 Density= 0.321463 ETOT(band)= -0.350249 trlgG= -0.439248 logG= -0.028111 TDE= -0.170951 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 logGD-logG0= -0.010286 tlogG= -0.045637 logG= -0.055922 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029267 Density= 0.322275 ETOT(band)= -0.351407 trlgG= -0.442503 logG= -0.029267 TDE= -0.171282 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323877 ETOT(band)= -0.348123 trlgG= -0.435437 logG= -0.055922 TDE= -0.341556 Density= 0.212497 ETOT(band)= -0.234128 trlgG= -0.293073 logG= -0.028137 TDE= -0.170746 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008473 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052853 logG= -0.008473 TDE= -0.056478 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028861 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029236 Density= 0.214630 ETOT(band)= -0.234292 trlgG= -0.294852 logG= -0.029236 TDE= -0.171287 logGD-logG0= -0.010800 tlogG= -0.048052 logG= -0.058852 logGD-logG0= -0.005233 tlogG= -0.022973 logG= -0.028206 Density= 0.216114 ETOT(band)= -0.232200 trlgG= -0.290901 logG= -0.028206 TDE= -0.170951 Density= 0.323084 ETOT(band)= -0.351168 trlgG= -0.442849 logG= -0.058852 TDE= -0.343127 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213673 ETOT(band)= -0.234138 trlgG= -0.293333 logG= -0.028861 TDE= -0.170845 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.046426 logG= -0.056981 Density= 0.323832 ETOT(band)= -0.349067 trlgG= -0.438059 logG= -0.056981 TDE= -0.342182 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023248 logG= -0.028333 Density= 0.321533 ETOT(band)= -0.350755 trlgG= -0.440100 logG= -0.028333 TDE= -0.170905 logGD-logG0= -0.004837 tlogG= -0.023251 logG= -0.028088 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028555 Density= 0.213380 ETOT(band)= -0.233745 trlgG= -0.292553 logG= -0.028088 TDE= -0.170796 Density= 0.213163 ETOT(band)= -0.233993 trlgG= -0.292822 logG= -0.028555 TDE= -0.170834 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.047248 logG= -0.057805 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 Density= 0.323970 ETOT(band)= -0.349723 trlgG= -0.440145 logG= -0.057805 TDE= -0.342740 Density= 0.214006 ETOT(band)= -0.234214 trlgG= -0.294457 logG= -0.028808 TDE= -0.171282 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005418 tlogG= -0.023905 logG= -0.029324 logGD-logG0= -0.005305 tlogG= -0.024088 logG= -0.029394 Density= 0.322898 ETOT(band)= -0.351377 trlgG= -0.443154 logG= -0.029394 TDE= -0.171476 logGD-logG0= -0.009792 tlogG= -0.046615 logG= -0.056407 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215537 ETOT(band)= -0.233879 trlgG= -0.294872 logG= -0.029324 TDE= -0.171485 Density= 0.322535 ETOT(band)= -0.349198 trlgG= -0.436881 logG= -0.056407 TDE= -0.341710 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213457 ETOT(band)= -0.234278 trlgG= -0.294071 logG= -0.028733 TDE= -0.171100 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 logGD-logG0= -0.005403 tlogG= -0.023965 logG= -0.029368 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096262 logG= -0.009180 TDE= -0.056755 Density= 0.323499 ETOT(band)= -0.350838 trlgG= -0.442588 logG= -0.029368 TDE= -0.171534 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023849 logG= -0.028980 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215387 ETOT(band)= -0.233880 trlgG= -0.294595 logG= -0.028980 TDE= -0.171165 logGD-logG0= -0.005467 tlogG= -0.023691 logG= -0.029158 Density= 0.215298 ETOT(band)= -0.233732 trlgG= -0.294175 logG= -0.029158 TDE= -0.171308 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 logGD-logG0= -0.004635 tlogG= -0.023977 logG= -0.028613 Density= 0.212689 ETOT(band)= -0.234405 trlgG= -0.293819 logG= -0.028613 TDE= -0.170882 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214067 ETOT(band)= -0.233500 trlgG= -0.292662 logG= -0.028082 TDE= -0.170959 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028424 Density= 0.214754 ETOT(band)= -0.233078 trlgG= -0.291541 logG= -0.028424 TDE= -0.170670 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010255 tlogG= -0.048160 logG= -0.058415 logGD-logG0= -0.009751 tlogG= -0.047851 logG= -0.057603 Density= 0.427808 ETOT(band)= -0.468412 trlgG= -0.588500 logG= -0.057603 TDE= -0.342368 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429078 ETOT(band)= -0.468517 trlgG= -0.589266 logG= -0.058415 TDE= -0.342414 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028850 Density= 0.214996 ETOT(band)= -0.233476 trlgG= -0.293036 logG= -0.028850 TDE= -0.171014 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.047968 logG= -0.058392 Density= 0.428981 ETOT(band)= -0.468480 trlgG= -0.588915 logG= -0.058392 TDE= -0.342256 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009611 tlogG= -0.046619 logG= -0.056230 Density= 0.427863 ETOT(band)= -0.467108 trlgG= -0.585104 logG= -0.056230 TDE= -0.341737 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010389 tlogG= -0.048232 logG= -0.058620 Density= 0.429816 ETOT(band)= -0.468519 trlgG= -0.590035 logG= -0.058620 TDE= -0.342632 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010863 tlogG= -0.047708 logG= -0.058571 logGD-logG0= -0.010600 tlogG= -0.048080 logG= -0.058680 Density= 0.430874 ETOT(band)= -0.467710 trlgG= -0.589343 logG= -0.058571 TDE= -0.342880 Density= 0.429923 ETOT(band)= -0.468349 trlgG= -0.589706 logG= -0.058680 TDE= -0.342757 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009766 tlogG= -0.047658 logG= -0.057424 Density= 0.426437 ETOT(band)= -0.468631 trlgG= -0.587641 logG= -0.057424 TDE= -0.341901 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010367 tlogG= -0.047679 logG= -0.058046 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428064 ETOT(band)= -0.468393 trlgG= -0.587830 logG= -0.058046 TDE= -0.342009 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047777 logG= -0.057497 Density= 0.426943 ETOT(band)= -0.468178 trlgG= -0.586488 logG= -0.057497 TDE= -0.341602 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010768 tlogG= -0.047737 logG= -0.058505 Density= 0.430532 ETOT(band)= -0.467768 trlgG= -0.588986 logG= -0.058505 TDE= -0.342773 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010427 tlogG= -0.046940 logG= -0.057367 logGD-logG0= -0.010827 tlogG= -0.047277 logG= -0.058104 Density= 0.429654 ETOT(band)= -0.466721 trlgG= -0.584861 logG= -0.057367 TDE= -0.341723 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010788 tlogG= -0.048033 logG= -0.058821 Density= 0.430260 ETOT(band)= -0.467344 trlgG= -0.587514 logG= -0.058104 TDE= -0.342389 Density= 0.431116 ETOT(band)= -0.467992 trlgG= -0.590337 logG= -0.058821 TDE= -0.343145 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009927 tlogG= -0.047864 logG= -0.057791 Density= 0.428911 ETOT(band)= -0.468183 trlgG= -0.588465 logG= -0.057791 TDE= -0.342354 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.047571 logG= -0.057679 Density= 0.428379 ETOT(band)= -0.467736 trlgG= -0.586866 logG= -0.057679 TDE= -0.342053 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047580 logG= -0.057931 Density= 0.429786 ETOT(band)= -0.467368 trlgG= -0.586793 logG= -0.057931 TDE= -0.342169 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 Density= 0.322700 ETOT(band)= -0.348165 trlgG= -0.434490 logG= -0.027220 TDE= -0.170298 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094943 logG= -0.008829 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004970 tlogG= -0.022478 logG= -0.027449 Density= 0.214906 ETOT(band)= -0.231787 trlgG= -0.288362 logG= -0.027449 TDE= -0.170231 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027179 Density= 0.214912 ETOT(band)= -0.232076 trlgG= -0.289409 logG= -0.027179 TDE= -0.170304 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.022297 logG= -0.027298 Density= 0.214142 ETOT(band)= -0.232568 trlgG= -0.289766 logG= -0.027298 TDE= -0.170218 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086398 trlgG= -0.107485 logG= -0.006707 TDE= -0.042584 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009922 tlogG= -0.044635 logG= -0.054557 Density= 0.431379 ETOT(band)= -0.462322 trlgG= -0.575363 logG= -0.054557 TDE= -0.340516 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.992581427209 eV TrLogG= -407.640297822338 eV Ratio to renormalize= 1.000555391583 rho-rho_expected=-0.012211832486 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 59) Finished k-point number 120 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964779022362289 0.940641466443475 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073762 logG= -0.014668 TDE= -0.085686 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039098 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 Density= 0.053556 ETOT(band)= -0.058575 trlgG= -0.073705 logG= -0.014536 TDE= -0.085672 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002361 tlogG= -0.011450 logG= -0.013812 Density= 0.053707 ETOT(band)= -0.058100 trlgG= -0.072577 logG= -0.013812 TDE= -0.085343 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058431 trlgG= -0.073343 logG= -0.014242 TDE= -0.085592 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 logGD-logG0= -0.005207 tlogG= -0.023770 logG= -0.028977 Density= 0.108123 ETOT(band)= -0.116597 trlgG= -0.146972 logG= -0.028977 TDE= -0.171500 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 Density= 0.054111 ETOT(band)= -0.058323 trlgG= -0.073623 logG= -0.014574 TDE= -0.085825 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 Density= 0.106055 ETOT(band)= -0.117230 trlgG= -0.146950 logG= -0.028441 TDE= -0.170991 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023956 logG= -0.029151 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028149 Density= 0.108174 ETOT(band)= -0.116672 trlgG= -0.147250 logG= -0.029151 TDE= -0.171630 Density= 0.108079 ETOT(band)= -0.116165 trlgG= -0.145661 logG= -0.028149 TDE= -0.170995 logGD-logG0= -0.005093 tlogG= -0.022462 logG= -0.027555 logGD-logG0= -0.005341 tlogG= -0.024075 logG= -0.029416 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027184 Density= 0.107587 ETOT(band)= -0.117127 trlgG= -0.147670 logG= -0.029416 TDE= -0.171494 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108147 ETOT(band)= -0.115792 trlgG= -0.144712 logG= -0.027555 TDE= -0.170674 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108303 ETOT(band)= -0.115485 trlgG= -0.144103 logG= -0.027184 TDE= -0.170513 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028658 logGD-logG0= -0.004410 tlogG= -0.023980 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117186 trlgG= -0.146836 logG= -0.028390 TDE= -0.170953 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023211 logG= -0.027893 Density= 0.106676 ETOT(band)= -0.116683 trlgG= -0.145625 logG= -0.027893 TDE= -0.170521 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146956 logG= -0.028658 TDE= -0.170914 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002656 tlogG= -0.011991 logG= -0.014648 logGD-logG0= -0.005379 tlogG= -0.024141 logG= -0.029520 Density= 0.053956 ETOT(band)= -0.058445 trlgG= -0.073745 logG= -0.014648 TDE= -0.085797 Density= 0.107756 ETOT(band)= -0.117122 trlgG= -0.147859 logG= -0.029520 TDE= -0.171662 logGD-logG0= -0.005181 tlogG= -0.023877 logG= -0.029059 Density= 0.108195 ETOT(band)= -0.116607 trlgG= -0.147101 logG= -0.029059 TDE= -0.171583 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027483 Density= 0.107576 ETOT(band)= -0.116021 trlgG= -0.144595 logG= -0.027483 TDE= -0.170345 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 logGD-logG0= -0.005061 tlogG= -0.023646 logG= -0.028707 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108076 ETOT(band)= -0.116435 trlgG= -0.146436 logG= -0.028639 TDE= -0.171278 logGD-logG0= -0.005184 tlogG= -0.023611 logG= -0.028795 Density= 0.106920 ETOT(band)= -0.116992 trlgG= -0.146453 logG= -0.028707 TDE= -0.170655 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147292 logG= -0.029153 TDE= -0.171248 logGD-logG0= -0.004768 tlogG= -0.022995 logG= -0.027763 Density= 0.106812 ETOT(band)= -0.116552 trlgG= -0.145362 logG= -0.027763 TDE= -0.170455 logGD-logG0= -0.005089 tlogG= -0.022738 logG= -0.027827 Density= 0.108192 ETOT(band)= -0.115928 trlgG= -0.145149 logG= -0.027827 TDE= -0.170861 Density= 0.108149 ETOT(band)= -0.116481 trlgG= -0.146680 logG= -0.028795 TDE= -0.171403 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108139 ETOT(band)= -0.116258 trlgG= -0.146017 logG= -0.028375 TDE= -0.171154 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.023906 logG= -0.029279 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107696 ETOT(band)= -0.116993 trlgG= -0.147454 logG= -0.029279 TDE= -0.171468 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 Density= 0.107559 ETOT(band)= -0.116355 trlgG= -0.145492 logG= -0.028050 TDE= -0.170667 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029263 logGD-logG0= -0.004796 tlogG= -0.023504 logG= -0.028300 Density= 0.106714 ETOT(band)= -0.116874 trlgG= -0.146109 logG= -0.028300 TDE= -0.170616 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107388 ETOT(band)= -0.117114 trlgG= -0.147397 logG= -0.029263 TDE= -0.171276 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 Density= 0.106538 ETOT(band)= -0.117022 trlgG= -0.146540 logG= -0.028415 TDE= -0.170846 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.023693 logG= -0.028584 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107321 ETOT(band)= -0.116782 trlgG= -0.146550 logG= -0.028584 TDE= -0.171074 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028461 Density= 0.106917 ETOT(band)= -0.116903 trlgG= -0.146643 logG= -0.028461 TDE= -0.171090 logGD-logG0= -0.004922 tlogG= -0.022854 logG= -0.027776 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145079 logG= -0.027776 TDE= -0.170593 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 Density= 0.106999 ETOT(band)= -0.117156 trlgG= -0.147320 logG= -0.029017 TDE= -0.171251 logGD-logG0= -0.005346 tlogG= -0.024094 logG= -0.029441 Density= 0.107175 ETOT(band)= -0.117062 trlgG= -0.147003 logG= -0.029037 TDE= -0.171001 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029386 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147733 logG= -0.029441 TDE= -0.171653 Density= 0.107892 ETOT(band)= -0.116966 trlgG= -0.147643 logG= -0.029386 TDE= -0.171647 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 Density= 0.107861 ETOT(band)= -0.116860 trlgG= -0.147346 logG= -0.029209 TDE= -0.171512 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022857 logG= -0.027656 logGD-logG0= -0.005363 tlogG= -0.023199 logG= -0.028562 Density= 0.107627 ETOT(band)= -0.116603 trlgG= -0.146302 logG= -0.028562 TDE= -0.170999 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 Density= 0.107238 ETOT(band)= -0.116297 trlgG= -0.145208 logG= -0.027656 TDE= -0.170618 Density= 0.107745 ETOT(band)= -0.116764 trlgG= -0.146931 logG= -0.028956 TDE= -0.171293 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009233 tlogG= -0.047641 logG= -0.056874 Density= 0.106698 ETOT(band)= -0.117176 trlgG= -0.147067 logG= -0.028864 TDE= -0.171003 Density= 0.212805 ETOT(band)= -0.234168 trlgG= -0.293214 logG= -0.056874 TDE= -0.341646 logGD-logG0= -0.009588 tlogG= -0.045771 logG= -0.055359 Density= 0.214902 ETOT(band)= -0.232425 trlgG= -0.290315 logG= -0.055359 TDE= -0.341301 logGD-logG0= -0.009771 tlogG= -0.047172 logG= -0.056943 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213649 ETOT(band)= -0.233865 trlgG= -0.293140 logG= -0.056943 TDE= -0.341921 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.047939 logG= -0.057604 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213155 ETOT(band)= -0.234376 trlgG= -0.293859 logG= -0.057604 TDE= -0.341735 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070767 logG= -0.012857 TDE= -0.084805 logGD-logG0= -0.010052 tlogG= -0.047913 logG= -0.057965 logGD-logG0= -0.009937 tlogG= -0.047162 logG= -0.057099 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213854 ETOT(band)= -0.234309 trlgG= -0.294403 logG= -0.057965 TDE= -0.342265 Density= 0.213661 ETOT(band)= -0.233909 trlgG= -0.292931 logG= -0.057099 TDE= -0.341562 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010493 tlogG= -0.047797 logG= -0.058290 logGD-logG0= -0.010628 tlogG= -0.047758 logG= -0.058386 Density= 0.214545 ETOT(band)= -0.234185 trlgG= -0.294380 logG= -0.058290 TDE= -0.342257 Density= 0.214646 ETOT(band)= -0.234191 trlgG= -0.294548 logG= -0.058386 TDE= -0.342380 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.048092 logG= -0.058675 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009906 tlogG= -0.048255 logG= -0.058161 Density= 0.214288 ETOT(band)= -0.234269 trlgG= -0.294713 logG= -0.058161 TDE= -0.342592 logGD-logG0= -0.010432 tlogG= -0.047989 logG= -0.058422 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056673 Density= 0.214961 ETOT(band)= -0.234243 trlgG= -0.295058 logG= -0.058675 TDE= -0.342756 logGD-logG0= -0.010176 tlogG= -0.048040 logG= -0.058216 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214419 ETOT(band)= -0.234215 trlgG= -0.294460 logG= -0.058216 TDE= -0.342350 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009543 tlogG= -0.047459 logG= -0.057002 Density= 0.214196 ETOT(band)= -0.233694 trlgG= -0.293267 logG= -0.057002 TDE= -0.342259 logGD-logG0= -0.009973 tlogG= -0.045659 logG= -0.055632 Density= 0.215035 ETOT(band)= -0.232500 trlgG= -0.290305 logG= -0.055632 TDE= -0.341083 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214963 ETOT(band)= -0.234099 trlgG= -0.294641 logG= -0.058422 TDE= -0.342594 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.047543 logG= -0.058257 logGD-logG0= -0.010665 tlogG= -0.048025 logG= -0.058690 Density= 0.214998 ETOT(band)= -0.234235 trlgG= -0.295085 logG= -0.058690 TDE= -0.342787 Density= 0.215592 ETOT(band)= -0.233687 trlgG= -0.294424 logG= -0.058257 TDE= -0.342853 logGD-logG0= -0.010295 tlogG= -0.047670 logG= -0.057965 Density= 0.213835 ETOT(band)= -0.234296 trlgG= -0.294155 logG= -0.057965 TDE= -0.342007 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.047956 logG= -0.058595 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215788 ETOT(band)= -0.233803 trlgG= -0.294986 logG= -0.058595 TDE= -0.343174 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.045602 logG= -0.055470 logGD-logG0= -0.010729 tlogG= -0.046887 logG= -0.057616 Density= 0.214245 ETOT(band)= -0.232778 trlgG= -0.290496 logG= -0.055470 TDE= -0.341046 logGD-logG0= -0.010523 tlogG= -0.047316 logG= -0.057840 Density= 0.214148 ETOT(band)= -0.234087 trlgG= -0.293630 logG= -0.057840 TDE= -0.341762 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215319 ETOT(band)= -0.233451 trlgG= -0.293384 logG= -0.057616 TDE= -0.342319 logGD-logG0= -0.010688 tlogG= -0.047429 logG= -0.058117 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215358 ETOT(band)= -0.233728 trlgG= -0.294186 logG= -0.058117 TDE= -0.342639 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046421 logG= -0.056710 logGD-logG0= -0.009899 tlogG= -0.047235 logG= -0.057134 Density= 0.214363 ETOT(band)= -0.233653 trlgG= -0.293039 logG= -0.057134 TDE= -0.341982 logGD-logG0= -0.010779 tlogG= -0.048155 logG= -0.058933 logGD-logG0= -0.010694 tlogG= -0.047905 logG= -0.058599 Density= 0.215103 ETOT(band)= -0.233062 trlgG= -0.291940 logG= -0.056710 TDE= -0.341674 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215314 ETOT(band)= -0.234259 trlgG= -0.295522 logG= -0.058933 TDE= -0.343137 Density= 0.215660 ETOT(band)= -0.233876 trlgG= -0.294990 logG= -0.058599 TDE= -0.343110 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047161 logG= -0.057362 Density= 0.215039 ETOT(band)= -0.233464 trlgG= -0.292959 logG= -0.057362 TDE= -0.342009 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054034 ETOT(band)= -0.057618 trlgG= -0.071616 logG= -0.013334 TDE= -0.085021 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021568 logG= -0.026526 Density= 0.108458 ETOT(band)= -0.114933 trlgG= -0.142972 logG= -0.026526 TDE= -0.170116 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005125 tlogG= -0.021823 logG= -0.026948 Density= 0.107731 ETOT(band)= -0.115592 trlgG= -0.143718 logG= -0.026948 TDE= -0.170080 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 Density= 0.108654 ETOT(band)= -0.114345 trlgG= -0.141814 logG= -0.025869 TDE= -0.169712 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.021699 logG= -0.026765 Density= 0.107874 ETOT(band)= -0.115399 trlgG= -0.143407 logG= -0.026765 TDE= -0.170024 logGD-logG0= -0.005045 tlogG= -0.021879 logG= -0.026924 Density= 0.108267 ETOT(band)= -0.115301 trlgG= -0.143654 logG= -0.026924 TDE= -0.170306 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010125 tlogG= -0.043398 logG= -0.053524 Density= 0.216164 ETOT(band)= -0.230586 trlgG= -0.286788 logG= -0.053524 TDE= -0.340233 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212048 ETOT(band)= -0.234511 trlgG= -0.294023 logG= -0.028495 TDE= -0.171029 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028235 logGD-logG0= -0.001290 tlogG= -0.005940 logG= -0.007231 Density= 0.080791 ETOT(band)= -0.087692 trlgG= -0.110483 logG= -0.007231 TDE= -0.042879 Density= 0.212966 ETOT(band)= -0.233718 trlgG= -0.292094 logG= -0.028235 TDE= -0.170831 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 Density= 0.212497 ETOT(band)= -0.234128 trlgG= -0.293072 logG= -0.028137 TDE= -0.170746 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067581 trlgG= -0.084302 logG= -0.006371 TDE= -0.042371 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028555 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008473 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052853 logG= -0.008473 TDE= -0.056478 Density= 0.213163 ETOT(band)= -0.233992 trlgG= -0.292821 logG= -0.028555 TDE= -0.170834 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080606 ETOT(band)= -0.087658 trlgG= -0.110286 logG= -0.007143 TDE= -0.042824 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027932 Density= 0.214681 ETOT(band)= -0.232524 trlgG= -0.290008 logG= -0.027932 TDE= -0.170482 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081020 ETOT(band)= -0.087594 trlgG= -0.110535 logG= -0.007274 TDE= -0.042909 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109731 logG= -0.007020 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080795 ETOT(band)= -0.087013 trlgG= -0.108726 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096262 logG= -0.009180 TDE= -0.056755 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 Density= 0.215224 ETOT(band)= -0.233884 trlgG= -0.294489 logG= -0.029117 TDE= -0.171476 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024006 logG= -0.029246 Density= 0.216248 ETOT(band)= -0.233455 trlgG= -0.294662 logG= -0.029246 TDE= -0.171646 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215578 ETOT(band)= -0.233977 trlgG= -0.295145 logG= -0.029285 TDE= -0.171629 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 Density= 0.215103 ETOT(band)= -0.233449 trlgG= -0.293226 logG= -0.028794 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023963 logG= -0.029196 Density= 0.216282 ETOT(band)= -0.233351 trlgG= -0.294429 logG= -0.029196 TDE= -0.171619 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007967 logG= -0.009419 Density= 0.070826 ETOT(band)= -0.077994 trlgG= -0.097564 logG= -0.009419 TDE= -0.056979 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081517 ETOT(band)= -0.085728 trlgG= -0.106322 logG= -0.006526 TDE= -0.042473 logGD-logG0= -0.005131 tlogG= -0.023849 logG= -0.028980 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215386 ETOT(band)= -0.233879 trlgG= -0.294594 logG= -0.028980 TDE= -0.171164 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029267 Density= 0.322275 ETOT(band)= -0.351406 trlgG= -0.442502 logG= -0.029267 TDE= -0.171282 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.022443 logG= -0.027615 Density= 0.216258 ETOT(band)= -0.231401 trlgG= -0.288912 logG= -0.027615 TDE= -0.170616 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047799 logG= -0.058309 Density= 0.324189 ETOT(band)= -0.350088 trlgG= -0.441492 logG= -0.058309 TDE= -0.343131 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.023977 logG= -0.028613 Density= 0.212689 ETOT(band)= -0.234405 trlgG= -0.293818 logG= -0.028613 TDE= -0.170882 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029500 logGD-logG0= -0.005260 tlogG= -0.023421 logG= -0.028681 Density= 0.216089 ETOT(band)= -0.232774 trlgG= -0.292517 logG= -0.028681 TDE= -0.171238 Density= 0.215610 ETOT(band)= -0.234133 trlgG= -0.295561 logG= -0.029500 TDE= -0.171662 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029236 logGD-logG0= -0.005419 tlogG= -0.023905 logG= -0.029324 Density= 0.215537 ETOT(band)= -0.233879 trlgG= -0.294872 logG= -0.029324 TDE= -0.171485 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214630 ETOT(band)= -0.234291 trlgG= -0.294852 logG= -0.029236 TDE= -0.171287 logGD-logG0= -0.005253 tlogG= -0.023768 logG= -0.029021 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216171 ETOT(band)= -0.233153 trlgG= -0.293725 logG= -0.029021 TDE= -0.171478 logGD-logG0= -0.005233 tlogG= -0.022973 logG= -0.028206 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028861 Density= 0.213672 ETOT(band)= -0.234137 trlgG= -0.293332 logG= -0.028861 TDE= -0.170844 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028839 Density= 0.216114 ETOT(band)= -0.232200 trlgG= -0.290900 logG= -0.028206 TDE= -0.170951 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321396 ETOT(band)= -0.351297 trlgG= -0.441826 logG= -0.028839 TDE= -0.171276 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023691 logG= -0.029158 Density= 0.215298 ETOT(band)= -0.233732 trlgG= -0.294174 logG= -0.029158 TDE= -0.171308 logGD-logG0= -0.009073 tlogG= -0.048106 logG= -0.057179 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010800 tlogG= -0.048052 logG= -0.058852 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 Density= 0.425293 ETOT(band)= -0.468608 trlgG= -0.587124 logG= -0.057179 TDE= -0.341881 Density= 0.321463 ETOT(band)= -0.350248 trlgG= -0.439247 logG= -0.028111 TDE= -0.170951 Density= 0.323084 ETOT(band)= -0.351167 trlgG= -0.442848 logG= -0.058852 TDE= -0.343126 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.045636 logG= -0.055922 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023963 logG= -0.029096 Density= 0.214227 ETOT(band)= -0.234220 trlgG= -0.294238 logG= -0.029096 TDE= -0.171114 Density= 0.323876 ETOT(band)= -0.348122 trlgG= -0.435436 logG= -0.055922 TDE= -0.341555 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.046426 logG= -0.056981 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323831 ETOT(band)= -0.349066 trlgG= -0.438058 logG= -0.056981 TDE= -0.342181 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 Density= 0.214006 ETOT(band)= -0.234213 trlgG= -0.294456 logG= -0.028808 TDE= -0.171281 logGD-logG0= -0.005084 tlogG= -0.023248 logG= -0.028333 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321533 ETOT(band)= -0.350754 trlgG= -0.440099 logG= -0.028333 TDE= -0.170905 logGD-logG0= -0.004837 tlogG= -0.023250 logG= -0.028088 Density= 0.213380 ETOT(band)= -0.233745 trlgG= -0.292553 logG= -0.028088 TDE= -0.170795 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046615 logG= -0.056407 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094943 logG= -0.008829 TDE= -0.056639 Density= 0.322535 ETOT(band)= -0.349197 trlgG= -0.436879 logG= -0.056407 TDE= -0.341710 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028424 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 Density= 0.214067 ETOT(band)= -0.233500 trlgG= -0.292661 logG= -0.028082 TDE= -0.170959 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214754 ETOT(band)= -0.233077 trlgG= -0.291540 logG= -0.028424 TDE= -0.170669 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022297 logG= -0.027298 Density= 0.214142 ETOT(band)= -0.232567 trlgG= -0.289765 logG= -0.027298 TDE= -0.170217 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010557 tlogG= -0.047248 logG= -0.057805 Density= 0.323970 ETOT(band)= -0.349722 trlgG= -0.440144 logG= -0.057805 TDE= -0.342739 logGD-logG0= -0.005403 tlogG= -0.023965 logG= -0.029368 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323499 ETOT(band)= -0.350837 trlgG= -0.442587 logG= -0.029368 TDE= -0.171533 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021305 logG= -0.026264 Density= 0.162566 ETOT(band)= -0.173072 trlgG= -0.216146 logG= -0.026264 TDE= -0.169929 logGD-logG0= -0.009751 tlogG= -0.047851 logG= -0.057602 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427808 ETOT(band)= -0.468411 trlgG= -0.588499 logG= -0.057602 TDE= -0.342368 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047777 logG= -0.057497 logGD-logG0= -0.005305 tlogG= -0.024088 logG= -0.029393 Density= 0.426942 ETOT(band)= -0.468176 trlgG= -0.586487 logG= -0.057497 TDE= -0.341601 Density= 0.322898 ETOT(band)= -0.351376 trlgG= -0.443153 logG= -0.029393 TDE= -0.171475 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022478 logG= -0.027449 Density= 0.214906 ETOT(band)= -0.231786 trlgG= -0.288361 logG= -0.027449 TDE= -0.170231 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028850 Density= 0.214995 ETOT(band)= -0.233475 trlgG= -0.293035 logG= -0.028850 TDE= -0.171014 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010255 tlogG= -0.048160 logG= -0.058415 Density= 0.429077 ETOT(band)= -0.468516 trlgG= -0.589265 logG= -0.058415 TDE= -0.342413 logGD-logG0= -0.010424 tlogG= -0.047967 logG= -0.058392 Density= 0.428980 ETOT(band)= -0.468479 trlgG= -0.588913 logG= -0.058392 TDE= -0.342255 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009611 tlogG= -0.046618 logG= -0.056230 Density= 0.427863 ETOT(band)= -0.467106 trlgG= -0.585102 logG= -0.056230 TDE= -0.341736 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010864 tlogG= -0.047707 logG= -0.058571 logGD-logG0= -0.009560 tlogG= -0.046722 logG= -0.056283 Density= 0.430874 ETOT(band)= -0.467708 trlgG= -0.589342 logG= -0.058571 TDE= -0.342879 Density= 0.427656 ETOT(band)= -0.466385 trlgG= -0.582494 logG= -0.056283 TDE= -0.341321 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010768 tlogG= -0.047737 logG= -0.058505 Density= 0.430531 ETOT(band)= -0.467767 trlgG= -0.588985 logG= -0.058505 TDE= -0.342772 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010367 tlogG= -0.047678 logG= -0.058046 logGD-logG0= -0.010389 tlogG= -0.048231 logG= -0.058620 logGD-logG0= -0.010600 tlogG= -0.048080 logG= -0.058680 Density= 0.429923 ETOT(band)= -0.468348 trlgG= -0.589705 logG= -0.058680 TDE= -0.342756 Density= 0.428064 ETOT(band)= -0.468392 trlgG= -0.587829 logG= -0.058046 TDE= -0.342009 logGD-logG0= -0.009766 tlogG= -0.047658 logG= -0.057424 Density= 0.429816 ETOT(band)= -0.468518 trlgG= -0.590034 logG= -0.058620 TDE= -0.342631 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426437 ETOT(band)= -0.468630 trlgG= -0.587640 logG= -0.057424 TDE= -0.341900 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009927 tlogG= -0.047864 logG= -0.057791 Density= 0.428910 ETOT(band)= -0.468181 trlgG= -0.588464 logG= -0.057791 TDE= -0.342353 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010041 tlogG= -0.046411 logG= -0.056452 Density= 0.429301 ETOT(band)= -0.465806 trlgG= -0.582159 logG= -0.056452 TDE= -0.341431 logGD-logG0= -0.010108 tlogG= -0.047571 logG= -0.057679 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428379 ETOT(band)= -0.467735 trlgG= -0.586864 logG= -0.057679 TDE= -0.342053 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010788 tlogG= -0.048033 logG= -0.058821 Density= 0.431115 ETOT(band)= -0.467991 trlgG= -0.590336 logG= -0.058821 TDE= -0.343144 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.021884 logG= -0.027016 logGD-logG0= -0.010427 tlogG= -0.046940 logG= -0.057367 Density= 0.429654 ETOT(band)= -0.466720 trlgG= -0.584860 logG= -0.057367 TDE= -0.341723 Density= 0.216515 ETOT(band)= -0.230402 trlgG= -0.286791 logG= -0.027016 TDE= -0.170275 logGD-logG0= -0.010827 tlogG= -0.047276 logG= -0.058103 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047579 logG= -0.057931 Density= 0.430260 ETOT(band)= -0.467343 trlgG= -0.587512 logG= -0.058103 TDE= -0.342388 Density= 0.429786 ETOT(band)= -0.467367 trlgG= -0.586792 logG= -0.057931 TDE= -0.342168 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213457 ETOT(band)= -0.234277 trlgG= -0.294070 logG= -0.028733 TDE= -0.171100 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 Density= 0.322700 ETOT(band)= -0.348164 trlgG= -0.434488 logG= -0.027220 TDE= -0.170298 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005042 tlogG= -0.021355 logG= -0.026397 Density= 0.216908 ETOT(band)= -0.229292 trlgG= -0.284583 logG= -0.026397 TDE= -0.169942 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010074 tlogG= -0.044630 logG= -0.054704 Density= 0.324117 ETOT(band)= -0.346851 trlgG= -0.432421 logG= -0.054704 TDE= -0.340876 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086398 trlgG= -0.107485 logG= -0.006707 TDE= -0.042584 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021209 logG= -0.026210 Density= 0.216232 ETOT(band)= -0.230156 trlgG= -0.285845 logG= -0.026210 TDE= -0.169848 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027179 Density= 0.214912 ETOT(band)= -0.232076 trlgG= -0.289408 logG= -0.027179 TDE= -0.170304 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009922 tlogG= -0.044635 logG= -0.054557 Density= 0.431379 ETOT(band)= -0.462321 trlgG= -0.575361 logG= -0.054557 TDE= -0.340515 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.991813450480 eV TrLogG= -407.639117304457 eV Ratio to renormalize= 1.000556283456 rho-rho_expected=-0.012231431887 nargs= 1 argi=dmft2.def 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964743025313475 0.940595944677025 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014241 Density= 0.053532 ETOT(band)= -0.058430 trlgG= -0.073342 logG= -0.014241 TDE= -0.085591 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.022173 logG= -0.027183 Density= 0.108302 ETOT(band)= -0.115483 trlgG= -0.144100 logG= -0.027183 TDE= -0.170510 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023688 logG= -0.029036 Density= 0.107174 ETOT(band)= -0.117060 trlgG= -0.147000 logG= -0.029036 TDE= -0.170998 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.022878 logG= -0.028049 Density= 0.107558 ETOT(band)= -0.116353 trlgG= -0.145489 logG= -0.028049 TDE= -0.170665 logGD-logG0= -0.004742 tlogG= -0.023672 logG= -0.028414 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106537 ETOT(band)= -0.117020 trlgG= -0.146537 logG= -0.028414 TDE= -0.170843 logGD-logG0= -0.004769 tlogG= -0.023692 logG= -0.028460 Density= 0.106916 ETOT(band)= -0.116901 trlgG= -0.146640 logG= -0.028460 TDE= -0.171087 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022856 logG= -0.027656 Density= 0.107237 ETOT(band)= -0.116294 trlgG= -0.145205 logG= -0.027656 TDE= -0.170615 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 Density= 0.054034 ETOT(band)= -0.057617 trlgG= -0.071614 logG= -0.013334 TDE= -0.085020 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039098 trlgG= -0.049025 logG= -0.009472 TDE= -0.057017 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 logGD-logG0= -0.002633 tlogG= -0.012034 logG= -0.014667 Density= 0.035472 ETOT(band)= -0.038945 trlgG= -0.048659 logG= -0.009319 TDE= -0.056893 Density= 0.053735 ETOT(band)= -0.058562 trlgG= -0.073761 logG= -0.014667 TDE= -0.085684 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004384 tlogG= -0.024056 logG= -0.028440 Density= 0.106055 ETOT(band)= -0.117228 trlgG= -0.146946 logG= -0.028440 TDE= -0.170988 logGD-logG0= -0.002451 tlogG= -0.012084 logG= -0.014535 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053555 ETOT(band)= -0.058574 trlgG= -0.073704 logG= -0.014535 TDE= -0.085670 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004410 tlogG= -0.023979 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117184 trlgG= -0.146833 logG= -0.028390 TDE= -0.170950 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023210 logG= -0.027892 Density= 0.106675 ETOT(band)= -0.116681 trlgG= -0.145622 logG= -0.027892 TDE= -0.170518 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002362 tlogG= -0.011450 logG= -0.013812 logGD-logG0= -0.005071 tlogG= -0.022412 logG= -0.027483 Density= 0.107576 ETOT(band)= -0.116019 trlgG= -0.144592 logG= -0.027483 TDE= -0.170343 Density= 0.053707 ETOT(band)= -0.058099 trlgG= -0.072576 logG= -0.013812 TDE= -0.085341 logGD-logG0= -0.004769 tlogG= -0.022994 logG= -0.027762 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106811 ETOT(band)= -0.116549 trlgG= -0.145359 logG= -0.027762 TDE= -0.170452 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023769 logG= -0.028977 Density= 0.108123 ETOT(band)= -0.116595 trlgG= -0.146969 logG= -0.028977 TDE= -0.171497 logGD-logG0= -0.005094 tlogG= -0.022461 logG= -0.027554 Density= 0.108146 ETOT(band)= -0.115790 trlgG= -0.144709 logG= -0.027554 TDE= -0.170671 logGD-logG0= -0.004796 tlogG= -0.023504 logG= -0.028300 Density= 0.106713 ETOT(band)= -0.116872 trlgG= -0.146106 logG= -0.028300 TDE= -0.170613 logGD-logG0= -0.002587 tlogG= -0.011986 logG= -0.014574 Density= 0.054110 ETOT(band)= -0.058322 trlgG= -0.073621 logG= -0.014574 TDE= -0.085824 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.022987 logG= -0.028148 Density= 0.108078 ETOT(band)= -0.116163 trlgG= -0.145658 logG= -0.028148 TDE= -0.170992 logGD-logG0= -0.004923 tlogG= -0.022853 logG= -0.027776 logGD-logG0= -0.004608 tlogG= -0.024050 logG= -0.028658 Density= 0.107689 ETOT(band)= -0.116148 trlgG= -0.145076 logG= -0.027776 TDE= -0.170590 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023955 logG= -0.029150 Density= 0.106327 ETOT(band)= -0.117215 trlgG= -0.146953 logG= -0.028658 TDE= -0.170912 Density= 0.108174 ETOT(band)= -0.116670 trlgG= -0.147247 logG= -0.029150 TDE= -0.171627 logGD-logG0= -0.005380 tlogG= -0.024140 logG= -0.029519 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107755 ETOT(band)= -0.117120 trlgG= -0.147856 logG= -0.029519 TDE= -0.171659 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023876 logG= -0.029058 logGD-logG0= -0.005341 tlogG= -0.024074 logG= -0.029416 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108194 ETOT(band)= -0.116605 trlgG= -0.147098 logG= -0.029058 TDE= -0.171580 Density= 0.107586 ETOT(band)= -0.117125 trlgG= -0.147667 logG= -0.029416 TDE= -0.171491 logGD-logG0= -0.002657 tlogG= -0.011991 logG= -0.014647 Density= 0.053955 ETOT(band)= -0.058444 trlgG= -0.073743 logG= -0.014647 TDE= -0.085796 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.024093 logG= -0.029440 Density= 0.107832 ETOT(band)= -0.117032 trlgG= -0.147730 logG= -0.029440 TDE= -0.171650 logGD-logG0= -0.005185 tlogG= -0.023610 logG= -0.028795 logGD-logG0= -0.005291 tlogG= -0.023971 logG= -0.029262 Density= 0.107387 ETOT(band)= -0.117112 trlgG= -0.147394 logG= -0.029262 TDE= -0.171273 Density= 0.108148 ETOT(band)= -0.116479 trlgG= -0.146677 logG= -0.028795 TDE= -0.171400 logGD-logG0= -0.005154 tlogG= -0.023220 logG= -0.028374 Density= 0.108138 ETOT(band)= -0.116256 trlgG= -0.146014 logG= -0.028374 TDE= -0.171151 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.022737 logG= -0.027826 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108192 ETOT(band)= -0.115926 trlgG= -0.145146 logG= -0.027826 TDE= -0.170858 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.024097 logG= -0.029152 Density= 0.107322 ETOT(band)= -0.117091 trlgG= -0.147289 logG= -0.029152 TDE= -0.171245 logGD-logG0= -0.005062 tlogG= -0.023645 logG= -0.028707 logGD-logG0= -0.002430 tlogG= -0.010427 logG= -0.012857 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054350 ETOT(band)= -0.057098 trlgG= -0.070766 logG= -0.012857 TDE= -0.084804 logGD-logG0= -0.004968 tlogG= -0.023895 logG= -0.028863 Density= 0.106698 ETOT(band)= -0.117174 trlgG= -0.147064 logG= -0.028863 TDE= -0.171000 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106919 ETOT(band)= -0.116990 trlgG= -0.146450 logG= -0.028707 TDE= -0.170652 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001642 tlogG= -0.006992 logG= -0.008635 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.036177 ETOT(band)= -0.038144 trlgG= -0.047296 logG= -0.008635 TDE= -0.056563 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047959 logG= -0.009015 TDE= -0.056672 logGD-logG0= -0.005321 tlogG= -0.024064 logG= -0.029386 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005374 tlogG= -0.023905 logG= -0.029279 Density= 0.107696 ETOT(band)= -0.116990 trlgG= -0.147451 logG= -0.029279 TDE= -0.171466 Density= 0.107891 ETOT(band)= -0.116964 trlgG= -0.147640 logG= -0.029386 TDE= -0.171644 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023198 logG= -0.028562 logGD-logG0= -0.004942 tlogG= -0.024074 logG= -0.029016 Density= 0.106998 ETOT(band)= -0.117154 trlgG= -0.147317 logG= -0.029016 TDE= -0.171249 Density= 0.107626 ETOT(band)= -0.116601 trlgG= -0.146299 logG= -0.028562 TDE= -0.170996 logGD-logG0= -0.004891 tlogG= -0.023692 logG= -0.028583 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107320 ETOT(band)= -0.116780 trlgG= -0.146547 logG= -0.028583 TDE= -0.171071 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023876 logG= -0.029208 Density= 0.107860 ETOT(band)= -0.116858 trlgG= -0.147343 logG= -0.029208 TDE= -0.171509 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009589 tlogG= -0.045769 logG= -0.055357 Density= 0.214901 ETOT(band)= -0.232421 trlgG= -0.290309 logG= -0.055357 TDE= -0.341295 logGD-logG0= -0.009869 tlogG= -0.045600 logG= -0.055468 logGD-logG0= -0.009772 tlogG= -0.047170 logG= -0.056942 Density= 0.214244 ETOT(band)= -0.232773 trlgG= -0.290490 logG= -0.055468 TDE= -0.341040 Density= 0.213648 ETOT(band)= -0.233861 trlgG= -0.293133 logG= -0.056942 TDE= -0.341916 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009233 tlogG= -0.047640 logG= -0.056873 Density= 0.212804 ETOT(band)= -0.234164 trlgG= -0.293208 logG= -0.056873 TDE= -0.341641 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010053 tlogG= -0.047911 logG= -0.057963 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213853 ETOT(band)= -0.234305 trlgG= -0.294397 logG= -0.057963 TDE= -0.342259 logGD-logG0= -0.009665 tlogG= -0.047937 logG= -0.057602 logGD-logG0= -0.010629 tlogG= -0.047756 logG= -0.058384 Density= 0.213154 ETOT(band)= -0.234371 trlgG= -0.293853 logG= -0.057602 TDE= -0.341729 Density= 0.214644 ETOT(band)= -0.234187 trlgG= -0.294542 logG= -0.058384 TDE= -0.342374 logGD-logG0= -0.009937 tlogG= -0.047161 logG= -0.057098 logGD-logG0= -0.009544 tlogG= -0.047457 logG= -0.057001 Density= 0.214194 ETOT(band)= -0.233689 trlgG= -0.293261 logG= -0.057001 TDE= -0.342254 Density= 0.213660 ETOT(band)= -0.233905 trlgG= -0.292924 logG= -0.057098 TDE= -0.341556 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.048090 logG= -0.058674 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023585 logG= -0.028955 Density= 0.214959 ETOT(band)= -0.234239 trlgG= -0.295052 logG= -0.058674 TDE= -0.342751 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107744 ETOT(band)= -0.116762 trlgG= -0.146928 logG= -0.028955 TDE= -0.171290 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.047987 logG= -0.058420 logGD-logG0= -0.010494 tlogG= -0.047795 logG= -0.058289 Density= 0.214543 ETOT(band)= -0.234181 trlgG= -0.294373 logG= -0.058289 TDE= -0.342251 logGD-logG0= -0.010176 tlogG= -0.048038 logG= -0.058215 Density= 0.214418 ETOT(band)= -0.234211 trlgG= -0.294454 logG= -0.058215 TDE= -0.342344 Density= 0.214961 ETOT(band)= -0.234094 trlgG= -0.294635 logG= -0.058420 TDE= -0.342588 logGD-logG0= -0.009974 tlogG= -0.045657 logG= -0.055631 Density= 0.215034 ETOT(band)= -0.232495 trlgG= -0.290299 logG= -0.055631 TDE= -0.341077 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047668 logG= -0.057964 Density= 0.213834 ETOT(band)= -0.234292 trlgG= -0.294149 logG= -0.057964 TDE= -0.342001 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.048254 logG= -0.058160 Density= 0.214287 ETOT(band)= -0.234265 trlgG= -0.294707 logG= -0.058160 TDE= -0.342586 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010666 tlogG= -0.048023 logG= -0.058689 Density= 0.214996 ETOT(band)= -0.234230 trlgG= -0.295079 logG= -0.058689 TDE= -0.342781 logGD-logG0= -0.004959 tlogG= -0.021567 logG= -0.026526 Density= 0.108457 ETOT(band)= -0.114931 trlgG= -0.142970 logG= -0.026526 TDE= -0.170114 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047954 logG= -0.058594 logGD-logG0= -0.010715 tlogG= -0.047541 logG= -0.058256 Density= 0.215590 ETOT(band)= -0.233683 trlgG= -0.294418 logG= -0.058256 TDE= -0.342847 logGD-logG0= -0.010730 tlogG= -0.046885 logG= -0.057615 Density= 0.215318 ETOT(band)= -0.233447 trlgG= -0.293378 logG= -0.057615 TDE= -0.342313 Density= 0.215787 ETOT(band)= -0.233799 trlgG= -0.294980 logG= -0.058594 TDE= -0.343168 logGD-logG0= -0.005203 tlogG= -0.023435 logG= -0.028638 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047315 logG= -0.057838 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108075 ETOT(band)= -0.116433 trlgG= -0.146433 logG= -0.028638 TDE= -0.171276 logGD-logG0= -0.010289 tlogG= -0.046419 logG= -0.056708 Density= 0.215102 ETOT(band)= -0.233057 trlgG= -0.291934 logG= -0.056708 TDE= -0.341669 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214147 ETOT(band)= -0.234083 trlgG= -0.293624 logG= -0.057838 TDE= -0.341756 logGD-logG0= -0.010688 tlogG= -0.047428 logG= -0.058116 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215357 ETOT(band)= -0.233724 trlgG= -0.294180 logG= -0.058116 TDE= -0.342633 logGD-logG0= -0.010779 tlogG= -0.048153 logG= -0.058932 Density= 0.215313 ETOT(band)= -0.234255 trlgG= -0.295515 logG= -0.058932 TDE= -0.343131 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.020991 logG= -0.025869 Density= 0.108653 ETOT(band)= -0.114343 trlgG= -0.141811 logG= -0.025869 TDE= -0.169709 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009900 tlogG= -0.047234 logG= -0.057133 logGD-logG0= -0.010695 tlogG= -0.047902 logG= -0.058598 Density= 0.215658 ETOT(band)= -0.233872 trlgG= -0.294983 logG= -0.058598 TDE= -0.343104 Density= 0.214361 ETOT(band)= -0.233649 trlgG= -0.293033 logG= -0.057133 TDE= -0.341976 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047160 logG= -0.057361 Density= 0.215038 ETOT(band)= -0.233459 trlgG= -0.292953 logG= -0.057361 TDE= -0.342004 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.021878 logG= -0.026923 Density= 0.108266 ETOT(band)= -0.115299 trlgG= -0.143651 logG= -0.026923 TDE= -0.170303 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005066 tlogG= -0.021698 logG= -0.026764 Density= 0.107873 ETOT(band)= -0.115397 trlgG= -0.143404 logG= -0.026764 TDE= -0.170021 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005126 tlogG= -0.021822 logG= -0.026947 Density= 0.107730 ETOT(band)= -0.115590 trlgG= -0.143715 logG= -0.026947 TDE= -0.170078 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010126 tlogG= -0.043396 logG= -0.053522 Density= 0.216162 ETOT(band)= -0.230581 trlgG= -0.286783 logG= -0.053522 TDE= -0.340228 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005749 logG= -0.007020 Density= 0.080593 ETOT(band)= -0.087441 trlgG= -0.109729 logG= -0.007020 TDE= -0.042758 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023962 logG= -0.029096 Density= 0.214226 ETOT(band)= -0.234216 trlgG= -0.294232 logG= -0.029096 TDE= -0.171111 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.022442 logG= -0.027615 Density= 0.216256 ETOT(band)= -0.231397 trlgG= -0.288906 logG= -0.027615 TDE= -0.170613 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023197 logG= -0.028424 Density= 0.214753 ETOT(band)= -0.233073 trlgG= -0.291534 logG= -0.028424 TDE= -0.170667 logGD-logG0= -0.004706 tlogG= -0.023375 logG= -0.028082 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214065 ETOT(band)= -0.233495 trlgG= -0.292655 logG= -0.028082 TDE= -0.170956 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004838 tlogG= -0.023249 logG= -0.028087 Density= 0.213379 ETOT(band)= -0.233740 trlgG= -0.292546 logG= -0.028087 TDE= -0.170793 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006706 Density= 0.081157 ETOT(band)= -0.086397 trlgG= -0.107483 logG= -0.006706 TDE= -0.042584 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004848 tlogG= -0.022331 logG= -0.027178 Density= 0.214911 ETOT(band)= -0.232072 trlgG= -0.289402 logG= -0.027178 TDE= -0.170301 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004358 tlogG= -0.024136 logG= -0.028494 Density= 0.212047 ETOT(band)= -0.234506 trlgG= -0.294017 logG= -0.028494 TDE= -0.171027 logGD-logG0= -0.001291 tlogG= -0.005940 logG= -0.007231 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080790 ETOT(band)= -0.087691 trlgG= -0.110481 logG= -0.007231 TDE= -0.042878 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001599 tlogG= -0.006874 logG= -0.008473 Density= 0.040827 ETOT(band)= -0.042693 trlgG= -0.052852 logG= -0.008473 TDE= -0.056477 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004490 tlogG= -0.023745 logG= -0.028235 Density= 0.212965 ETOT(band)= -0.233713 trlgG= -0.292088 logG= -0.028235 TDE= -0.170828 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 logGD-logG0= -0.001200 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067580 trlgG= -0.084300 logG= -0.006371 TDE= -0.042370 Density= 0.080606 ETOT(band)= -0.087657 trlgG= -0.110284 logG= -0.007143 TDE= -0.042824 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023591 logG= -0.028136 Density= 0.212496 ETOT(band)= -0.234123 trlgG= -0.293066 logG= -0.028136 TDE= -0.170743 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023894 logG= -0.028555 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080794 ETOT(band)= -0.087012 trlgG= -0.108724 logG= -0.006871 TDE= -0.042681 Density= 0.213162 ETOT(band)= -0.233988 trlgG= -0.292815 logG= -0.028555 TDE= -0.170831 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022908 logG= -0.027932 Density= 0.214679 ETOT(band)= -0.232519 trlgG= -0.290002 logG= -0.027932 TDE= -0.170479 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087593 trlgG= -0.110532 logG= -0.007274 TDE= -0.042908 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024007 logG= -0.029284 Density= 0.215576 ETOT(band)= -0.233973 trlgG= -0.295138 logG= -0.029284 TDE= -0.171626 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071457 ETOT(band)= -0.077388 trlgG= -0.096260 logG= -0.009180 TDE= -0.056754 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023805 logG= -0.029116 Density= 0.215223 ETOT(band)= -0.233880 trlgG= -0.294483 logG= -0.029116 TDE= -0.171473 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007967 logG= -0.009419 Density= 0.070825 ETOT(band)= -0.077993 trlgG= -0.097562 logG= -0.009419 TDE= -0.056978 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.024005 logG= -0.029246 Density= 0.216246 ETOT(band)= -0.233451 trlgG= -0.294656 logG= -0.029246 TDE= -0.171643 logGD-logG0= -0.005131 tlogG= -0.023848 logG= -0.028980 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215385 ETOT(band)= -0.233875 trlgG= -0.294588 logG= -0.028980 TDE= -0.171162 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023372 logG= -0.028110 Density= 0.321461 ETOT(band)= -0.350242 trlgG= -0.439238 logG= -0.028110 TDE= -0.170948 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023485 logG= -0.028793 Density= 0.215102 ETOT(band)= -0.233445 trlgG= -0.293220 logG= -0.028793 TDE= -0.171216 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.024167 logG= -0.029267 Density= 0.322272 ETOT(band)= -0.351399 trlgG= -0.442493 logG= -0.029267 TDE= -0.171279 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010511 tlogG= -0.047797 logG= -0.058308 Density= 0.324187 ETOT(band)= -0.350082 trlgG= -0.441483 logG= -0.058308 TDE= -0.343126 logGD-logG0= -0.005371 tlogG= -0.024128 logG= -0.029499 Density= 0.215609 ETOT(band)= -0.234129 trlgG= -0.295555 logG= -0.029499 TDE= -0.171659 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.023962 logG= -0.029195 Density= 0.216280 ETOT(band)= -0.233347 trlgG= -0.294423 logG= -0.029195 TDE= -0.171616 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.045635 logG= -0.055921 Density= 0.323874 ETOT(band)= -0.348116 trlgG= -0.435427 logG= -0.055921 TDE= -0.341550 logGD-logG0= -0.004636 tlogG= -0.023976 logG= -0.028612 Density= 0.212687 ETOT(band)= -0.234400 trlgG= -0.293812 logG= -0.028612 TDE= -0.170879 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.024162 logG= -0.029236 Density= 0.214628 ETOT(band)= -0.234287 trlgG= -0.294845 logG= -0.029236 TDE= -0.171284 logGD-logG0= -0.005261 tlogG= -0.023420 logG= -0.028681 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216087 ETOT(band)= -0.232770 trlgG= -0.292511 logG= -0.028681 TDE= -0.171236 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046613 logG= -0.056405 Density= 0.322532 ETOT(band)= -0.349191 trlgG= -0.436870 logG= -0.056405 TDE= -0.341704 logGD-logG0= -0.005233 tlogG= -0.022972 logG= -0.028205 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023247 logG= -0.028332 Density= 0.321531 ETOT(band)= -0.350747 trlgG= -0.440089 logG= -0.028332 TDE= -0.170902 Density= 0.216113 ETOT(band)= -0.232196 trlgG= -0.290894 logG= -0.028205 TDE= -0.170948 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.024087 logG= -0.029393 Density= 0.322895 ETOT(band)= -0.351370 trlgG= -0.443143 logG= -0.029393 TDE= -0.171473 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081516 ETOT(band)= -0.085727 trlgG= -0.106320 logG= -0.006526 TDE= -0.042472 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023767 logG= -0.029021 Density= 0.216169 ETOT(band)= -0.233149 trlgG= -0.293719 logG= -0.029021 TDE= -0.171475 logGD-logG0= -0.004890 tlogG= -0.023842 logG= -0.028732 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213455 ETOT(band)= -0.234273 trlgG= -0.294064 logG= -0.028732 TDE= -0.171097 logGD-logG0= -0.005419 tlogG= -0.023904 logG= -0.029323 Density= 0.215536 ETOT(band)= -0.233875 trlgG= -0.294865 logG= -0.029323 TDE= -0.171482 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.023964 logG= -0.029367 Density= 0.323496 ETOT(band)= -0.350831 trlgG= -0.442578 logG= -0.029367 TDE= -0.171531 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023885 logG= -0.028861 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213671 ETOT(band)= -0.234133 trlgG= -0.293326 logG= -0.028861 TDE= -0.170841 logGD-logG0= -0.004828 tlogG= -0.024011 logG= -0.028839 logGD-logG0= -0.010801 tlogG= -0.048050 logG= -0.058850 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323081 ETOT(band)= -0.351160 trlgG= -0.442838 logG= -0.058850 TDE= -0.343121 Density= 0.321394 ETOT(band)= -0.351291 trlgG= -0.441817 logG= -0.028839 TDE= -0.171273 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.046424 logG= -0.056980 Density= 0.323829 ETOT(band)= -0.349060 trlgG= -0.438049 logG= -0.056980 TDE= -0.342175 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024012 logG= -0.028807 Density= 0.214005 ETOT(band)= -0.234209 trlgG= -0.294450 logG= -0.028807 TDE= -0.171278 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076516 trlgG= -0.094941 logG= -0.008829 TDE= -0.056638 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009074 tlogG= -0.048104 logG= -0.057178 logGD-logG0= -0.005493 tlogG= -0.023357 logG= -0.028850 logGD-logG0= -0.005001 tlogG= -0.022296 logG= -0.027298 Density= 0.214141 ETOT(band)= -0.232563 trlgG= -0.289759 logG= -0.027298 TDE= -0.170215 Density= 0.425291 ETOT(band)= -0.468599 trlgG= -0.587112 logG= -0.057178 TDE= -0.341875 Density= 0.214994 ETOT(band)= -0.233471 trlgG= -0.293029 logG= -0.028850 TDE= -0.171011 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.046721 logG= -0.056282 logGD-logG0= -0.009752 tlogG= -0.047849 logG= -0.057601 Density= 0.427653 ETOT(band)= -0.466376 trlgG= -0.582482 logG= -0.056282 TDE= -0.341316 Density= 0.427805 ETOT(band)= -0.468402 trlgG= -0.588486 logG= -0.057601 TDE= -0.342362 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010256 tlogG= -0.048158 logG= -0.058413 Density= 0.429074 ETOT(band)= -0.468508 trlgG= -0.589252 logG= -0.058413 TDE= -0.342408 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046617 logG= -0.056229 logGD-logG0= -0.010425 tlogG= -0.047965 logG= -0.058390 Density= 0.427860 ETOT(band)= -0.467098 trlgG= -0.585089 logG= -0.056229 TDE= -0.341730 Density= 0.428977 ETOT(band)= -0.468470 trlgG= -0.588901 logG= -0.058390 TDE= -0.342250 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.021304 logG= -0.026263 Density= 0.162565 ETOT(band)= -0.173069 trlgG= -0.216142 logG= -0.026263 TDE= -0.169926 logGD-logG0= -0.010769 tlogG= -0.047735 logG= -0.058504 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430528 ETOT(band)= -0.467759 trlgG= -0.588973 logG= -0.058504 TDE= -0.342766 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048078 logG= -0.058678 logGD-logG0= -0.010368 tlogG= -0.047677 logG= -0.058045 Density= 0.428061 ETOT(band)= -0.468383 trlgG= -0.587816 logG= -0.058045 TDE= -0.342003 Density= 0.429920 ETOT(band)= -0.468339 trlgG= -0.589692 logG= -0.058678 TDE= -0.342751 logGD-logG0= -0.009928 tlogG= -0.047862 logG= -0.057790 Density= 0.428907 ETOT(band)= -0.468173 trlgG= -0.588451 logG= -0.057790 TDE= -0.342347 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009766 tlogG= -0.047656 logG= -0.057422 Density= 0.426435 ETOT(band)= -0.468621 trlgG= -0.587627 logG= -0.057422 TDE= -0.341894 logGD-logG0= -0.010389 tlogG= -0.048230 logG= -0.058619 logGD-logG0= -0.010865 tlogG= -0.047705 logG= -0.058570 Density= 0.430871 ETOT(band)= -0.467700 trlgG= -0.589329 logG= -0.058570 TDE= -0.342873 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429813 ETOT(band)= -0.468509 trlgG= -0.590021 logG= -0.058619 TDE= -0.342625 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047776 logG= -0.057495 Density= 0.426940 ETOT(band)= -0.468167 trlgG= -0.586474 logG= -0.057495 TDE= -0.341596 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.046409 logG= -0.056451 Density= 0.429298 ETOT(band)= -0.465797 trlgG= -0.582147 logG= -0.056451 TDE= -0.341425 logGD-logG0= -0.010428 tlogG= -0.046938 logG= -0.057366 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429651 ETOT(band)= -0.466711 trlgG= -0.584847 logG= -0.057366 TDE= -0.341717 logGD-logG0= -0.010558 tlogG= -0.047246 logG= -0.057803 Density= 0.323967 ETOT(band)= -0.349716 trlgG= -0.440135 logG= -0.057803 TDE= -0.342733 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047569 logG= -0.057677 Density= 0.428376 ETOT(band)= -0.467726 trlgG= -0.586852 logG= -0.057677 TDE= -0.342047 logGD-logG0= -0.010789 tlogG= -0.048031 logG= -0.058819 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431112 ETOT(band)= -0.467983 trlgG= -0.590324 logG= -0.058819 TDE= -0.343138 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010827 tlogG= -0.047275 logG= -0.058102 Density= 0.430257 ETOT(band)= -0.467335 trlgG= -0.587500 logG= -0.058102 TDE= -0.342382 logGD-logG0= -0.005467 tlogG= -0.023690 logG= -0.029158 Density= 0.215297 ETOT(band)= -0.233728 trlgG= -0.294168 logG= -0.029158 TDE= -0.171305 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.021883 logG= -0.027016 Density= 0.216513 ETOT(band)= -0.230398 trlgG= -0.286786 logG= -0.027016 TDE= -0.170272 logGD-logG0= -0.010352 tlogG= -0.047578 logG= -0.057930 Density= 0.429783 ETOT(band)= -0.467358 trlgG= -0.586779 logG= -0.057930 TDE= -0.342163 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022331 logG= -0.027219 Density= 0.322698 ETOT(band)= -0.348158 trlgG= -0.434479 logG= -0.027219 TDE= -0.170295 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010075 tlogG= -0.044628 logG= -0.054703 Density= 0.324115 ETOT(band)= -0.346845 trlgG= -0.432412 logG= -0.054703 TDE= -0.340871 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021354 logG= -0.026396 Density= 0.216907 ETOT(band)= -0.229288 trlgG= -0.284577 logG= -0.026396 TDE= -0.169939 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.022477 logG= -0.027448 logGD-logG0= -0.005001 tlogG= -0.021208 logG= -0.026209 Density= 0.216231 ETOT(band)= -0.230152 trlgG= -0.285839 logG= -0.026209 TDE= -0.169846 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214905 ETOT(band)= -0.231782 trlgG= -0.288355 logG= -0.027448 TDE= -0.170228 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009923 tlogG= -0.044633 logG= -0.054556 Density= 0.431376 ETOT(band)= -0.462313 trlgG= -0.575349 logG= -0.054556 TDE= -0.340510 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.985855081796 eV TrLogG= -407.629523369433 eV Ratio to renormalize= 1.000563079137 rho-rho_expected=-0.012380769669 nargs= 1 argi=dmft2.def 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964754502890084 0.940613245018058 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002361 tlogG= -0.011451 logG= -0.013812 Density= 0.053707 ETOT(band)= -0.058100 trlgG= -0.072577 logG= -0.013812 TDE= -0.085343 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058431 trlgG= -0.073343 logG= -0.014242 TDE= -0.085592 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.022739 logG= -0.027827 Density= 0.108192 ETOT(band)= -0.115928 trlgG= -0.145149 logG= -0.027827 TDE= -0.170861 logGD-logG0= -0.005062 tlogG= -0.023646 logG= -0.028708 Density= 0.106920 ETOT(band)= -0.116992 trlgG= -0.146453 logG= -0.028708 TDE= -0.170655 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 Density= 0.107175 ETOT(band)= -0.117062 trlgG= -0.147003 logG= -0.029037 TDE= -0.171001 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 Density= 0.106698 ETOT(band)= -0.117176 trlgG= -0.147067 logG= -0.028864 TDE= -0.171003 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 Density= 0.106999 ETOT(band)= -0.117156 trlgG= -0.147320 logG= -0.029017 TDE= -0.171251 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039098 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 Density= 0.054034 ETOT(band)= -0.057618 trlgG= -0.071616 logG= -0.013334 TDE= -0.085021 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004410 tlogG= -0.023980 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117186 trlgG= -0.146836 logG= -0.028390 TDE= -0.170953 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 Density= 0.053556 ETOT(band)= -0.058575 trlgG= -0.073705 logG= -0.014536 TDE= -0.085672 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073762 logG= -0.014668 TDE= -0.085686 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023505 logG= -0.028301 Density= 0.106714 ETOT(band)= -0.116874 trlgG= -0.146109 logG= -0.028301 TDE= -0.170616 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 Density= 0.106055 ETOT(band)= -0.117230 trlgG= -0.146950 logG= -0.028441 TDE= -0.170991 logGD-logG0= -0.005093 tlogG= -0.022462 logG= -0.027555 Density= 0.108147 ETOT(band)= -0.115792 trlgG= -0.144713 logG= -0.027555 TDE= -0.170674 logGD-logG0= -0.005207 tlogG= -0.023770 logG= -0.028977 Density= 0.108123 ETOT(band)= -0.116597 trlgG= -0.146972 logG= -0.028977 TDE= -0.171500 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.024075 logG= -0.029416 Density= 0.107587 ETOT(band)= -0.117127 trlgG= -0.147671 logG= -0.029416 TDE= -0.171494 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 logGD-logG0= -0.005194 tlogG= -0.023956 logG= -0.029151 Density= 0.108076 ETOT(band)= -0.116435 trlgG= -0.146436 logG= -0.028639 TDE= -0.171278 Density= 0.108174 ETOT(band)= -0.116672 trlgG= -0.147251 logG= -0.029151 TDE= -0.171630 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.023693 logG= -0.028584 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028149 Density= 0.107321 ETOT(band)= -0.116782 trlgG= -0.146550 logG= -0.028584 TDE= -0.171074 Density= 0.108079 ETOT(band)= -0.116165 trlgG= -0.145661 logG= -0.028149 TDE= -0.170995 Density= 0.054111 ETOT(band)= -0.058324 trlgG= -0.073623 logG= -0.014574 TDE= -0.085825 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027184 Density= 0.108302 ETOT(band)= -0.115485 trlgG= -0.144103 logG= -0.027184 TDE= -0.170513 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028658 logGD-logG0= -0.002656 tlogG= -0.011991 logG= -0.014648 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023211 logG= -0.027893 Density= 0.106676 ETOT(band)= -0.116684 trlgG= -0.145626 logG= -0.027893 TDE= -0.170521 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146956 logG= -0.028658 TDE= -0.170914 Density= 0.053955 ETOT(band)= -0.058445 trlgG= -0.073745 logG= -0.014648 TDE= -0.085797 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.024094 logG= -0.029441 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147733 logG= -0.029441 TDE= -0.171653 logGD-logG0= -0.005181 tlogG= -0.023878 logG= -0.029059 logGD-logG0= -0.005184 tlogG= -0.023611 logG= -0.028795 Density= 0.108149 ETOT(band)= -0.116481 trlgG= -0.146681 logG= -0.028795 TDE= -0.171403 logGD-logG0= -0.005379 tlogG= -0.024141 logG= -0.029520 Density= 0.108195 ETOT(band)= -0.116607 trlgG= -0.147101 logG= -0.029059 TDE= -0.171583 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107756 ETOT(band)= -0.117122 trlgG= -0.147859 logG= -0.029520 TDE= -0.171662 logGD-logG0= -0.004922 tlogG= -0.022854 logG= -0.027777 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.022995 logG= -0.027763 Density= 0.106812 ETOT(band)= -0.116552 trlgG= -0.145362 logG= -0.027763 TDE= -0.170455 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145079 logG= -0.027777 TDE= -0.170593 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070767 logG= -0.012857 TDE= -0.084805 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027483 Density= 0.107576 ETOT(band)= -0.116021 trlgG= -0.144595 logG= -0.027483 TDE= -0.170345 Density= 0.108139 ETOT(band)= -0.116258 trlgG= -0.146017 logG= -0.028375 TDE= -0.171154 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029263 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 Density= 0.107388 ETOT(band)= -0.117114 trlgG= -0.147398 logG= -0.029263 TDE= -0.171276 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 Density= 0.106538 ETOT(band)= -0.117022 trlgG= -0.146541 logG= -0.028415 TDE= -0.170846 Density= 0.107559 ETOT(band)= -0.116355 trlgG= -0.145492 logG= -0.028050 TDE= -0.170667 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028461 Density= 0.106917 ETOT(band)= -0.116903 trlgG= -0.146644 logG= -0.028461 TDE= -0.171090 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022857 logG= -0.027657 logGD-logG0= -0.005363 tlogG= -0.023199 logG= -0.028563 Density= 0.107627 ETOT(band)= -0.116603 trlgG= -0.146302 logG= -0.028563 TDE= -0.170999 Density= 0.107238 ETOT(band)= -0.116297 trlgG= -0.145208 logG= -0.027657 TDE= -0.170618 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147292 logG= -0.029153 TDE= -0.171248 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 Density= 0.107861 ETOT(band)= -0.116860 trlgG= -0.147346 logG= -0.029209 TDE= -0.171512 logGD-logG0= -0.009906 tlogG= -0.048256 logG= -0.058162 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029387 Density= 0.214288 ETOT(band)= -0.234269 trlgG= -0.294713 logG= -0.058162 TDE= -0.342592 Density= 0.107892 ETOT(band)= -0.116966 trlgG= -0.147643 logG= -0.029387 TDE= -0.171647 logGD-logG0= -0.009588 tlogG= -0.045771 logG= -0.055359 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214902 ETOT(band)= -0.232425 trlgG= -0.290315 logG= -0.055359 TDE= -0.341300 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010052 tlogG= -0.047913 logG= -0.057965 Density= 0.213854 ETOT(band)= -0.234309 trlgG= -0.294404 logG= -0.057965 TDE= -0.342265 logGD-logG0= -0.009233 tlogG= -0.047642 logG= -0.056875 logGD-logG0= -0.009868 tlogG= -0.045602 logG= -0.055470 Density= 0.214245 ETOT(band)= -0.232778 trlgG= -0.290496 logG= -0.055470 TDE= -0.341046 logGD-logG0= -0.009771 tlogG= -0.047172 logG= -0.056943 logGD-logG0= -0.005373 tlogG= -0.023906 logG= -0.029279 Density= 0.213649 ETOT(band)= -0.233865 trlgG= -0.293140 logG= -0.056943 TDE= -0.341921 Density= 0.107696 ETOT(band)= -0.116993 trlgG= -0.147454 logG= -0.029279 TDE= -0.171468 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212805 ETOT(band)= -0.234169 trlgG= -0.293214 logG= -0.056875 TDE= -0.341646 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010628 tlogG= -0.047758 logG= -0.058386 Density= 0.214646 ETOT(band)= -0.234191 trlgG= -0.294549 logG= -0.058386 TDE= -0.342380 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.047939 logG= -0.057604 logGD-logG0= -0.009543 tlogG= -0.047459 logG= -0.057003 Density= 0.214196 ETOT(band)= -0.233694 trlgG= -0.293267 logG= -0.057003 TDE= -0.342259 Density= 0.213155 ETOT(band)= -0.234376 trlgG= -0.293859 logG= -0.057604 TDE= -0.341735 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009937 tlogG= -0.047163 logG= -0.057099 Density= 0.213661 ETOT(band)= -0.233909 trlgG= -0.292931 logG= -0.057099 TDE= -0.341562 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 logGD-logG0= -0.010493 tlogG= -0.047798 logG= -0.058291 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107745 ETOT(band)= -0.116764 trlgG= -0.146932 logG= -0.028956 TDE= -0.171293 Density= 0.214544 ETOT(band)= -0.234185 trlgG= -0.294380 logG= -0.058291 TDE= -0.342257 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056673 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.048092 logG= -0.058675 logGD-logG0= -0.010432 tlogG= -0.047990 logG= -0.058422 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214961 ETOT(band)= -0.234244 trlgG= -0.295058 logG= -0.058675 TDE= -0.342756 logGD-logG0= -0.009973 tlogG= -0.045659 logG= -0.055633 Density= 0.214963 ETOT(band)= -0.234099 trlgG= -0.294642 logG= -0.058422 TDE= -0.342594 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215035 ETOT(band)= -0.232500 trlgG= -0.290306 logG= -0.055633 TDE= -0.341083 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 Density= 0.108654 ETOT(band)= -0.114345 trlgG= -0.141814 logG= -0.025869 TDE= -0.169712 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010665 tlogG= -0.048025 logG= -0.058690 logGD-logG0= -0.010714 tlogG= -0.047543 logG= -0.058257 logGD-logG0= -0.010730 tlogG= -0.046887 logG= -0.057616 logGD-logG0= -0.010176 tlogG= -0.048040 logG= -0.058216 Density= 0.214419 ETOT(band)= -0.234215 trlgG= -0.294461 logG= -0.058216 TDE= -0.342350 Density= 0.214997 ETOT(band)= -0.234235 trlgG= -0.295086 logG= -0.058690 TDE= -0.342787 Density= 0.215319 ETOT(band)= -0.233452 trlgG= -0.293384 logG= -0.057616 TDE= -0.342319 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215591 ETOT(band)= -0.233687 trlgG= -0.294425 logG= -0.058257 TDE= -0.342853 logGD-logG0= -0.010639 tlogG= -0.047956 logG= -0.058596 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.047670 logG= -0.057965 logGD-logG0= -0.010779 tlogG= -0.048155 logG= -0.058934 Density= 0.213835 ETOT(band)= -0.234296 trlgG= -0.294156 logG= -0.057965 TDE= -0.342007 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215314 ETOT(band)= -0.234260 trlgG= -0.295522 logG= -0.058934 TDE= -0.343137 logGD-logG0= -0.010688 tlogG= -0.047429 logG= -0.058117 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215788 ETOT(band)= -0.233803 trlgG= -0.294987 logG= -0.058596 TDE= -0.343174 Density= 0.215358 ETOT(band)= -0.233729 trlgG= -0.294186 logG= -0.058117 TDE= -0.342639 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.047317 logG= -0.057840 logGD-logG0= -0.010695 tlogG= -0.047905 logG= -0.058599 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046421 logG= -0.056710 Density= 0.215103 ETOT(band)= -0.233062 trlgG= -0.291941 logG= -0.056710 TDE= -0.341674 Density= 0.215659 ETOT(band)= -0.233876 trlgG= -0.294990 logG= -0.058599 TDE= -0.343110 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009899 tlogG= -0.047236 logG= -0.057135 Density= 0.214148 ETOT(band)= -0.234087 trlgG= -0.293631 logG= -0.057840 TDE= -0.341762 Density= 0.214363 ETOT(band)= -0.233654 trlgG= -0.293039 logG= -0.057135 TDE= -0.341982 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047162 logG= -0.057363 Density= 0.215039 ETOT(band)= -0.233464 trlgG= -0.292960 logG= -0.057363 TDE= -0.342009 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.021823 logG= -0.026948 Density= 0.107731 ETOT(band)= -0.115592 trlgG= -0.143718 logG= -0.026948 TDE= -0.170080 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005045 tlogG= -0.021879 logG= -0.026924 Density= 0.108267 ETOT(band)= -0.115301 trlgG= -0.143654 logG= -0.026924 TDE= -0.170306 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021568 logG= -0.026527 Density= 0.108458 ETOT(band)= -0.114933 trlgG= -0.142973 logG= -0.026527 TDE= -0.170116 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010126 tlogG= -0.043398 logG= -0.053524 Density= 0.216163 ETOT(band)= -0.230586 trlgG= -0.286789 logG= -0.053524 TDE= -0.340233 logGD-logG0= -0.005065 tlogG= -0.021699 logG= -0.026765 Density= 0.107874 ETOT(band)= -0.115399 trlgG= -0.143407 logG= -0.026765 TDE= -0.170024 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080794 ETOT(band)= -0.087013 trlgG= -0.108726 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109731 logG= -0.007020 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.022973 logG= -0.028206 Density= 0.216114 ETOT(band)= -0.232200 trlgG= -0.290901 logG= -0.028206 TDE= -0.170951 logGD-logG0= -0.005134 tlogG= -0.023963 logG= -0.029096 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214227 ETOT(band)= -0.234220 trlgG= -0.294239 logG= -0.029096 TDE= -0.171114 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028862 Density= 0.213672 ETOT(band)= -0.234137 trlgG= -0.293333 logG= -0.028862 TDE= -0.170844 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213456 ETOT(band)= -0.234277 trlgG= -0.294071 logG= -0.028733 TDE= -0.171100 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 Density= 0.214006 ETOT(band)= -0.234213 trlgG= -0.294457 logG= -0.028808 TDE= -0.171281 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086398 trlgG= -0.107485 logG= -0.006707 TDE= -0.042584 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087658 trlgG= -0.110286 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 Density= 0.212497 ETOT(band)= -0.234128 trlgG= -0.293072 logG= -0.028137 TDE= -0.170746 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067581 trlgG= -0.084302 logG= -0.006371 TDE= -0.042371 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001290 tlogG= -0.005940 logG= -0.007231 Density= 0.080791 ETOT(band)= -0.087692 trlgG= -0.110483 logG= -0.007231 TDE= -0.042879 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028556 Density= 0.213163 ETOT(band)= -0.233992 trlgG= -0.292822 logG= -0.028556 TDE= -0.170833 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087594 trlgG= -0.110535 logG= -0.007274 TDE= -0.042909 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215578 ETOT(band)= -0.233977 trlgG= -0.295145 logG= -0.029285 TDE= -0.171629 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007968 logG= -0.009419 Density= 0.070826 ETOT(band)= -0.077994 trlgG= -0.097564 logG= -0.009419 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 Density= 0.215103 ETOT(band)= -0.233449 trlgG= -0.293226 logG= -0.028794 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024006 logG= -0.029246 Density= 0.216248 ETOT(band)= -0.233455 trlgG= -0.294663 logG= -0.029246 TDE= -0.171646 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 Density= 0.215224 ETOT(band)= -0.233884 trlgG= -0.294490 logG= -0.029117 TDE= -0.171476 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028839 Density= 0.321395 ETOT(band)= -0.351297 trlgG= -0.441827 logG= -0.028839 TDE= -0.171276 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023850 logG= -0.028980 Density= 0.215386 ETOT(band)= -0.233879 trlgG= -0.294595 logG= -0.028980 TDE= -0.171164 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029500 Density= 0.215610 ETOT(band)= -0.234133 trlgG= -0.295561 logG= -0.029500 TDE= -0.171662 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047800 logG= -0.058309 Density= 0.324189 ETOT(band)= -0.350089 trlgG= -0.441493 logG= -0.058309 TDE= -0.343131 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081517 ETOT(band)= -0.085728 trlgG= -0.106323 logG= -0.006526 TDE= -0.042473 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028235 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212966 ETOT(band)= -0.233718 trlgG= -0.292094 logG= -0.028235 TDE= -0.170831 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.045637 logG= -0.055923 logGD-logG0= -0.005233 tlogG= -0.023963 logG= -0.029196 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029267 Density= 0.322275 ETOT(band)= -0.351406 trlgG= -0.442503 logG= -0.029267 TDE= -0.171282 Density= 0.216282 ETOT(band)= -0.233351 trlgG= -0.294430 logG= -0.029196 TDE= -0.171619 logGD-logG0= -0.005172 tlogG= -0.022444 logG= -0.027615 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323876 ETOT(band)= -0.348123 trlgG= -0.435437 logG= -0.055923 TDE= -0.341555 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216257 ETOT(band)= -0.231402 trlgG= -0.288913 logG= -0.027615 TDE= -0.170616 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023768 logG= -0.029022 logGD-logG0= -0.004636 tlogG= -0.023977 logG= -0.028613 Density= 0.212688 ETOT(band)= -0.234405 trlgG= -0.293818 logG= -0.028613 TDE= -0.170882 Density= 0.216170 ETOT(band)= -0.233153 trlgG= -0.293725 logG= -0.029022 TDE= -0.171478 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321462 ETOT(band)= -0.350249 trlgG= -0.439248 logG= -0.028111 TDE= -0.170951 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008473 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052853 logG= -0.008473 TDE= -0.056478 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005260 tlogG= -0.023421 logG= -0.028681 Density= 0.216088 ETOT(band)= -0.232774 trlgG= -0.292518 logG= -0.028681 TDE= -0.171238 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.024088 logG= -0.029394 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322898 ETOT(band)= -0.351376 trlgG= -0.443153 logG= -0.029394 TDE= -0.171475 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010557 tlogG= -0.047248 logG= -0.057805 Density= 0.323969 ETOT(band)= -0.349722 trlgG= -0.440145 logG= -0.057805 TDE= -0.342739 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029236 Density= 0.214630 ETOT(band)= -0.234291 trlgG= -0.294852 logG= -0.029236 TDE= -0.171287 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046615 logG= -0.056407 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094943 logG= -0.008829 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322534 ETOT(band)= -0.349197 trlgG= -0.436880 logG= -0.056407 TDE= -0.341709 logGD-logG0= -0.004837 tlogG= -0.023251 logG= -0.028088 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213380 ETOT(band)= -0.233745 trlgG= -0.292553 logG= -0.028088 TDE= -0.170795 logGD-logG0= -0.005419 tlogG= -0.023905 logG= -0.029324 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215537 ETOT(band)= -0.233879 trlgG= -0.294872 logG= -0.029324 TDE= -0.171485 logGD-logG0= -0.010555 tlogG= -0.046426 logG= -0.056981 Density= 0.323831 ETOT(band)= -0.349066 trlgG= -0.438059 logG= -0.056981 TDE= -0.342181 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023248 logG= -0.028333 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321532 ETOT(band)= -0.350754 trlgG= -0.440099 logG= -0.028333 TDE= -0.170905 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027933 Density= 0.214681 ETOT(band)= -0.232524 trlgG= -0.290008 logG= -0.027933 TDE= -0.170482 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023965 logG= -0.029368 Density= 0.323498 ETOT(band)= -0.350837 trlgG= -0.442588 logG= -0.029368 TDE= -0.171533 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009751 tlogG= -0.047852 logG= -0.057603 Density= 0.427807 ETOT(band)= -0.468411 trlgG= -0.588500 logG= -0.057603 TDE= -0.342368 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028425 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 Density= 0.214067 ETOT(band)= -0.233500 trlgG= -0.292662 logG= -0.028082 TDE= -0.170959 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096262 logG= -0.009180 TDE= -0.056755 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214754 ETOT(band)= -0.233077 trlgG= -0.291541 logG= -0.028425 TDE= -0.170669 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028851 logGD-logG0= -0.009073 tlogG= -0.048106 logG= -0.057180 Density= 0.214995 ETOT(band)= -0.233475 trlgG= -0.293035 logG= -0.028851 TDE= -0.171014 Density= 0.425293 ETOT(band)= -0.468609 trlgG= -0.587125 logG= -0.057180 TDE= -0.341880 logGD-logG0= -0.009561 tlogG= -0.046723 logG= -0.056283 Density= 0.427655 ETOT(band)= -0.466385 trlgG= -0.582495 logG= -0.056283 TDE= -0.341321 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010255 tlogG= -0.048160 logG= -0.058415 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429077 ETOT(band)= -0.468517 trlgG= -0.589266 logG= -0.058415 TDE= -0.342413 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010800 tlogG= -0.048052 logG= -0.058852 logGD-logG0= -0.010424 tlogG= -0.047968 logG= -0.058392 Density= 0.428980 ETOT(band)= -0.468479 trlgG= -0.588914 logG= -0.058392 TDE= -0.342255 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323083 ETOT(band)= -0.351167 trlgG= -0.442848 logG= -0.058852 TDE= -0.343126 logGD-logG0= -0.004970 tlogG= -0.022478 logG= -0.027449 Density= 0.214906 ETOT(band)= -0.231786 trlgG= -0.288362 logG= -0.027449 TDE= -0.170231 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046619 logG= -0.056230 Density= 0.427863 ETOT(band)= -0.467107 trlgG= -0.585103 logG= -0.056230 TDE= -0.341736 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048080 logG= -0.058680 Density= 0.429922 ETOT(band)= -0.468348 trlgG= -0.589706 logG= -0.058680 TDE= -0.342756 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010768 tlogG= -0.047737 logG= -0.058506 logGD-logG0= -0.010367 tlogG= -0.047679 logG= -0.058046 Density= 0.430531 ETOT(band)= -0.467767 trlgG= -0.588986 logG= -0.058506 TDE= -0.342772 Density= 0.428063 ETOT(band)= -0.468392 trlgG= -0.587830 logG= -0.058046 TDE= -0.342009 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010864 tlogG= -0.047708 logG= -0.058571 Density= 0.430873 ETOT(band)= -0.467709 trlgG= -0.589343 logG= -0.058571 TDE= -0.342879 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010389 tlogG= -0.048232 logG= -0.058621 Density= 0.429816 ETOT(band)= -0.468518 trlgG= -0.590034 logG= -0.058621 TDE= -0.342631 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009766 tlogG= -0.047658 logG= -0.057424 Density= 0.426437 ETOT(band)= -0.468630 trlgG= -0.587641 logG= -0.057424 TDE= -0.341900 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047777 logG= -0.057497 Density= 0.426942 ETOT(band)= -0.468177 trlgG= -0.586487 logG= -0.057497 TDE= -0.341601 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009927 tlogG= -0.047864 logG= -0.057792 Density= 0.428910 ETOT(band)= -0.468182 trlgG= -0.588464 logG= -0.057792 TDE= -0.342353 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.046411 logG= -0.056453 Density= 0.429300 ETOT(band)= -0.465806 trlgG= -0.582160 logG= -0.056453 TDE= -0.341431 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021305 logG= -0.026264 Density= 0.162566 ETOT(band)= -0.173072 trlgG= -0.216146 logG= -0.026264 TDE= -0.169929 logGD-logG0= -0.010788 tlogG= -0.048033 logG= -0.058821 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431115 ETOT(band)= -0.467991 trlgG= -0.590337 logG= -0.058821 TDE= -0.343144 logGD-logG0= -0.010108 tlogG= -0.047571 logG= -0.057679 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428378 ETOT(band)= -0.467735 trlgG= -0.586865 logG= -0.057679 TDE= -0.342052 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010427 tlogG= -0.046940 logG= -0.057367 Density= 0.429653 ETOT(band)= -0.466720 trlgG= -0.584861 logG= -0.057367 TDE= -0.341723 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 Density= 0.322700 ETOT(band)= -0.348165 trlgG= -0.434489 logG= -0.027220 TDE= -0.170298 logGD-logG0= -0.010827 tlogG= -0.047277 logG= -0.058104 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430259 ETOT(band)= -0.467343 trlgG= -0.587513 logG= -0.058104 TDE= -0.342388 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027179 Density= 0.214912 ETOT(band)= -0.232076 trlgG= -0.289408 logG= -0.027179 TDE= -0.170304 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005467 tlogG= -0.023691 logG= -0.029158 Density= 0.215298 ETOT(band)= -0.233732 trlgG= -0.294175 logG= -0.029158 TDE= -0.171308 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047580 logG= -0.057931 Density= 0.429785 ETOT(band)= -0.467367 trlgG= -0.586793 logG= -0.057931 TDE= -0.342168 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010074 tlogG= -0.044630 logG= -0.054705 Density= 0.324117 ETOT(band)= -0.346852 trlgG= -0.432421 logG= -0.054705 TDE= -0.340876 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.021355 logG= -0.026397 Density= 0.216908 ETOT(band)= -0.229292 trlgG= -0.284584 logG= -0.026397 TDE= -0.169942 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212048 ETOT(band)= -0.234511 trlgG= -0.294024 logG= -0.028495 TDE= -0.171029 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022297 logG= -0.027299 Density= 0.214142 ETOT(band)= -0.232567 trlgG= -0.289766 logG= -0.027299 TDE= -0.170217 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005133 tlogG= -0.021884 logG= -0.027016 Density= 0.216514 ETOT(band)= -0.230402 trlgG= -0.286792 logG= -0.027016 TDE= -0.170275 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009922 tlogG= -0.044635 logG= -0.054557 Density= 0.431378 ETOT(band)= -0.462322 trlgG= -0.575362 logG= -0.054557 TDE= -0.340515 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021210 logG= -0.026210 Density= 0.216232 ETOT(band)= -0.230156 trlgG= -0.285845 logG= -0.026210 TDE= -0.169848 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.992012939267 eV TrLogG= -407.639569367792 eV Ratio to renormalize= 1.000557134866 rho-rho_expected=-0.012250142069 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964764352540799 0.940624566562473 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002361 tlogG= -0.011451 logG= -0.013812 Density= 0.053707 ETOT(band)= -0.058100 trlgG= -0.072578 logG= -0.013812 TDE= -0.085343 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028658 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146957 logG= -0.028658 TDE= -0.170915 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.022739 logG= -0.027827 Density= 0.108192 ETOT(band)= -0.115928 trlgG= -0.145149 logG= -0.027827 TDE= -0.170861 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108139 ETOT(band)= -0.116258 trlgG= -0.146017 logG= -0.028375 TDE= -0.171154 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106698 ETOT(band)= -0.117176 trlgG= -0.147068 logG= -0.028864 TDE= -0.171003 Density= 0.107559 ETOT(band)= -0.116355 trlgG= -0.145492 logG= -0.028050 TDE= -0.170668 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 Density= 0.107175 ETOT(band)= -0.117062 trlgG= -0.147003 logG= -0.029037 TDE= -0.171001 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 Density= 0.106538 ETOT(band)= -0.117022 trlgG= -0.146541 logG= -0.028415 TDE= -0.170846 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039099 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 Density= 0.106055 ETOT(band)= -0.117230 trlgG= -0.146950 logG= -0.028441 TDE= -0.170991 logGD-logG0= -0.004410 tlogG= -0.023980 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117186 trlgG= -0.146836 logG= -0.028390 TDE= -0.170953 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023211 logG= -0.027893 Density= 0.106676 ETOT(band)= -0.116684 trlgG= -0.145626 logG= -0.027893 TDE= -0.170521 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027483 Density= 0.107576 ETOT(band)= -0.116022 trlgG= -0.144595 logG= -0.027483 TDE= -0.170346 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023505 logG= -0.028301 logGD-logG0= -0.004769 tlogG= -0.022995 logG= -0.027763 Density= 0.106714 ETOT(band)= -0.116875 trlgG= -0.146109 logG= -0.028301 TDE= -0.170616 Density= 0.106812 ETOT(band)= -0.116552 trlgG= -0.145362 logG= -0.027763 TDE= -0.170455 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070767 logG= -0.012857 TDE= -0.084805 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 Density= 0.053556 ETOT(band)= -0.058575 trlgG= -0.073706 logG= -0.014536 TDE= -0.085672 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073763 logG= -0.014668 TDE= -0.085686 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056673 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021568 logG= -0.026527 Density= 0.108458 ETOT(band)= -0.114934 trlgG= -0.142973 logG= -0.026527 TDE= -0.170117 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 Density= 0.054111 ETOT(band)= -0.058324 trlgG= -0.073623 logG= -0.014574 TDE= -0.085825 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 Density= 0.108654 ETOT(band)= -0.114345 trlgG= -0.141814 logG= -0.025869 TDE= -0.169712 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002656 tlogG= -0.011991 logG= -0.014648 Density= 0.053955 ETOT(band)= -0.058445 trlgG= -0.073745 logG= -0.014648 TDE= -0.085797 logGD-logG0= -0.005184 tlogG= -0.023611 logG= -0.028795 Density= 0.108149 ETOT(band)= -0.116482 trlgG= -0.146681 logG= -0.028795 TDE= -0.171403 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029263 Density= 0.107388 ETOT(band)= -0.117114 trlgG= -0.147398 logG= -0.029263 TDE= -0.171276 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.022462 logG= -0.027555 Density= 0.108147 ETOT(band)= -0.115792 trlgG= -0.144713 logG= -0.027555 TDE= -0.170674 logGD-logG0= -0.005125 tlogG= -0.021823 logG= -0.026948 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058432 trlgG= -0.073343 logG= -0.014242 TDE= -0.085592 Density= 0.107731 ETOT(band)= -0.115592 trlgG= -0.143718 logG= -0.026948 TDE= -0.170081 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.023770 logG= -0.028977 logGD-logG0= -0.005194 tlogG= -0.023957 logG= -0.029151 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108123 ETOT(band)= -0.116597 trlgG= -0.146973 logG= -0.028977 TDE= -0.171500 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108174 ETOT(band)= -0.116672 trlgG= -0.147251 logG= -0.029151 TDE= -0.171630 logGD-logG0= -0.005341 tlogG= -0.024076 logG= -0.029416 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107587 ETOT(band)= -0.117127 trlgG= -0.147671 logG= -0.029416 TDE= -0.171494 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.022854 logG= -0.027777 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145079 logG= -0.027777 TDE= -0.170593 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023878 logG= -0.029059 Density= 0.108195 ETOT(band)= -0.116607 trlgG= -0.147102 logG= -0.029059 TDE= -0.171583 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028149 Density= 0.108079 ETOT(band)= -0.116165 trlgG= -0.145661 logG= -0.028149 TDE= -0.170995 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027184 Density= 0.108076 ETOT(band)= -0.116435 trlgG= -0.146437 logG= -0.028639 TDE= -0.171279 Density= 0.108302 ETOT(band)= -0.115485 trlgG= -0.144104 logG= -0.027184 TDE= -0.170513 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.023906 logG= -0.029279 Density= 0.107696 ETOT(band)= -0.116993 trlgG= -0.147454 logG= -0.029279 TDE= -0.171469 logGD-logG0= -0.009233 tlogG= -0.047642 logG= -0.056875 logGD-logG0= -0.005379 tlogG= -0.024141 logG= -0.029520 logGD-logG0= -0.005346 tlogG= -0.024095 logG= -0.029441 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147733 logG= -0.029441 TDE= -0.171653 Density= 0.212805 ETOT(band)= -0.234169 trlgG= -0.293215 logG= -0.056875 TDE= -0.341647 Density= 0.107756 ETOT(band)= -0.117123 trlgG= -0.147859 logG= -0.029520 TDE= -0.171662 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.021700 logG= -0.026765 Density= 0.107874 ETOT(band)= -0.115399 trlgG= -0.143408 logG= -0.026765 TDE= -0.170024 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009937 tlogG= -0.047163 logG= -0.057100 logGD-logG0= -0.005062 tlogG= -0.023646 logG= -0.028708 Density= 0.213661 ETOT(band)= -0.233909 trlgG= -0.292932 logG= -0.057100 TDE= -0.341562 Density= 0.106920 ETOT(band)= -0.116992 trlgG= -0.146454 logG= -0.028708 TDE= -0.170655 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.047939 logG= -0.057604 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028461 Density= 0.106917 ETOT(band)= -0.116903 trlgG= -0.146644 logG= -0.028461 TDE= -0.171090 Density= 0.213155 ETOT(band)= -0.234376 trlgG= -0.293860 logG= -0.057604 TDE= -0.341735 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 logGD-logG0= -0.004891 tlogG= -0.023693 logG= -0.028584 Density= 0.107321 ETOT(band)= -0.116782 trlgG= -0.146550 logG= -0.028584 TDE= -0.171074 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107861 ETOT(band)= -0.116860 trlgG= -0.147347 logG= -0.029209 TDE= -0.171512 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 Density= 0.106999 ETOT(band)= -0.117156 trlgG= -0.147320 logG= -0.029017 TDE= -0.171252 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147292 logG= -0.029153 TDE= -0.171248 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022858 logG= -0.027657 Density= 0.107238 ETOT(band)= -0.116297 trlgG= -0.145208 logG= -0.027657 TDE= -0.170618 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023199 logG= -0.028563 Density= 0.107627 ETOT(band)= -0.116603 trlgG= -0.146302 logG= -0.028563 TDE= -0.170999 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.045602 logG= -0.055470 Density= 0.214245 ETOT(band)= -0.232778 trlgG= -0.290497 logG= -0.055470 TDE= -0.341046 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009588 tlogG= -0.045771 logG= -0.055359 Density= 0.214902 ETOT(band)= -0.232425 trlgG= -0.290316 logG= -0.055359 TDE= -0.341301 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 Density= 0.107745 ETOT(band)= -0.116764 trlgG= -0.146932 logG= -0.028956 TDE= -0.171293 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.045660 logG= -0.055633 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009906 tlogG= -0.048256 logG= -0.058162 Density= 0.215035 ETOT(band)= -0.232500 trlgG= -0.290306 logG= -0.055633 TDE= -0.341083 Density= 0.214288 ETOT(band)= -0.234270 trlgG= -0.294714 logG= -0.058162 TDE= -0.342592 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029387 logGD-logG0= -0.009771 tlogG= -0.047172 logG= -0.056943 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107892 ETOT(band)= -0.116966 trlgG= -0.147644 logG= -0.029387 TDE= -0.171647 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213649 ETOT(band)= -0.233866 trlgG= -0.293140 logG= -0.056943 TDE= -0.341921 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010628 tlogG= -0.047758 logG= -0.058386 logGD-logG0= -0.010052 tlogG= -0.047913 logG= -0.057965 Density= 0.213854 ETOT(band)= -0.234310 trlgG= -0.294404 logG= -0.057965 TDE= -0.342265 Density= 0.214646 ETOT(band)= -0.234191 trlgG= -0.294549 logG= -0.058386 TDE= -0.342380 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.048092 logG= -0.058675 Density= 0.214961 ETOT(band)= -0.234244 trlgG= -0.295059 logG= -0.058675 TDE= -0.342757 logGD-logG0= -0.009543 tlogG= -0.047460 logG= -0.057003 Density= 0.214196 ETOT(band)= -0.233694 trlgG= -0.293268 logG= -0.057003 TDE= -0.342260 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010176 tlogG= -0.048041 logG= -0.058216 Density= 0.214419 ETOT(band)= -0.234216 trlgG= -0.294461 logG= -0.058216 TDE= -0.342350 logGD-logG0= -0.010493 tlogG= -0.047798 logG= -0.058291 logGD-logG0= -0.010432 tlogG= -0.047990 logG= -0.058422 Density= 0.214544 ETOT(band)= -0.234186 trlgG= -0.294381 logG= -0.058291 TDE= -0.342257 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214963 ETOT(band)= -0.234099 trlgG= -0.294642 logG= -0.058422 TDE= -0.342595 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.047543 logG= -0.058258 Density= 0.215592 ETOT(band)= -0.233687 trlgG= -0.294425 logG= -0.058258 TDE= -0.342853 logGD-logG0= -0.010295 tlogG= -0.047670 logG= -0.057966 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213835 ETOT(band)= -0.234296 trlgG= -0.294156 logG= -0.057966 TDE= -0.342007 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054034 ETOT(band)= -0.057618 trlgG= -0.071616 logG= -0.013334 TDE= -0.085021 logGD-logG0= -0.010779 tlogG= -0.048155 logG= -0.058934 logGD-logG0= -0.010639 tlogG= -0.047956 logG= -0.058596 Density= 0.215314 ETOT(band)= -0.234260 trlgG= -0.295522 logG= -0.058934 TDE= -0.343137 logGD-logG0= -0.010730 tlogG= -0.046887 logG= -0.057617 Density= 0.215319 ETOT(band)= -0.233452 trlgG= -0.293385 logG= -0.057617 TDE= -0.342319 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215788 ETOT(band)= -0.233803 trlgG= -0.294987 logG= -0.058596 TDE= -0.343174 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046421 logG= -0.056710 Density= 0.215103 ETOT(band)= -0.233062 trlgG= -0.291941 logG= -0.056710 TDE= -0.341675 logGD-logG0= -0.010665 tlogG= -0.048025 logG= -0.058691 Density= 0.214997 ETOT(band)= -0.234235 trlgG= -0.295086 logG= -0.058691 TDE= -0.342787 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010688 tlogG= -0.047430 logG= -0.058117 Density= 0.215358 ETOT(band)= -0.233729 trlgG= -0.294187 logG= -0.058117 TDE= -0.342639 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.047317 logG= -0.057840 Density= 0.214148 ETOT(band)= -0.234087 trlgG= -0.293631 logG= -0.057840 TDE= -0.341762 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009899 tlogG= -0.047236 logG= -0.057135 Density= 0.214363 ETOT(band)= -0.233654 trlgG= -0.293040 logG= -0.057135 TDE= -0.341982 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.021879 logG= -0.026924 logGD-logG0= -0.010694 tlogG= -0.047905 logG= -0.058600 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108267 ETOT(band)= -0.115301 trlgG= -0.143654 logG= -0.026924 TDE= -0.170306 logGD-logG0= -0.010201 tlogG= -0.047162 logG= -0.057363 Density= 0.215660 ETOT(band)= -0.233876 trlgG= -0.294990 logG= -0.058600 TDE= -0.343110 Density= 0.215039 ETOT(band)= -0.233464 trlgG= -0.292960 logG= -0.057363 TDE= -0.342010 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010125 tlogG= -0.043399 logG= -0.053524 Density= 0.216164 ETOT(band)= -0.230586 trlgG= -0.286789 logG= -0.053524 TDE= -0.340234 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080794 ETOT(band)= -0.087013 trlgG= -0.108727 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004636 tlogG= -0.023977 logG= -0.028613 Density= 0.212688 ETOT(band)= -0.234405 trlgG= -0.293819 logG= -0.028613 TDE= -0.170882 logGD-logG0= -0.005233 tlogG= -0.022974 logG= -0.028206 Density= 0.216114 ETOT(band)= -0.232200 trlgG= -0.290901 logG= -0.028206 TDE= -0.170951 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023963 logG= -0.029096 Density= 0.214227 ETOT(band)= -0.234221 trlgG= -0.294239 logG= -0.029096 TDE= -0.171114 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213457 ETOT(band)= -0.234278 trlgG= -0.294071 logG= -0.028733 TDE= -0.171100 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.023251 logG= -0.028088 Density= 0.213380 ETOT(band)= -0.233745 trlgG= -0.292553 logG= -0.028088 TDE= -0.170796 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028425 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214754 ETOT(band)= -0.233078 trlgG= -0.291541 logG= -0.028425 TDE= -0.170670 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.023421 logG= -0.028681 Density= 0.216089 ETOT(band)= -0.232774 trlgG= -0.292518 logG= -0.028681 TDE= -0.171239 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212048 ETOT(band)= -0.234511 trlgG= -0.294024 logG= -0.028495 TDE= -0.171030 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028235 Density= 0.212966 ETOT(band)= -0.233718 trlgG= -0.292095 logG= -0.028235 TDE= -0.170831 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 Density= 0.212497 ETOT(band)= -0.234128 trlgG= -0.293073 logG= -0.028137 TDE= -0.170746 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067582 trlgG= -0.084302 logG= -0.006371 TDE= -0.042371 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028556 Density= 0.213163 ETOT(band)= -0.233992 trlgG= -0.292822 logG= -0.028556 TDE= -0.170834 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001290 tlogG= -0.005940 logG= -0.007231 Density= 0.080791 ETOT(band)= -0.087693 trlgG= -0.110484 logG= -0.007231 TDE= -0.042879 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008474 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052853 logG= -0.008474 TDE= -0.056478 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087658 trlgG= -0.110287 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027933 Density= 0.214681 ETOT(band)= -0.232524 trlgG= -0.290009 logG= -0.027933 TDE= -0.170482 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007968 logG= -0.009419 Density= 0.070826 ETOT(band)= -0.077995 trlgG= -0.097564 logG= -0.009419 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081517 ETOT(band)= -0.085729 trlgG= -0.106323 logG= -0.006526 TDE= -0.042473 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029236 Density= 0.214630 ETOT(band)= -0.234292 trlgG= -0.294852 logG= -0.029236 TDE= -0.171287 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023769 logG= -0.029022 Density= 0.216170 ETOT(band)= -0.233153 trlgG= -0.293726 logG= -0.029022 TDE= -0.171478 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009073 tlogG= -0.048106 logG= -0.057180 Density= 0.425293 ETOT(band)= -0.468609 trlgG= -0.587126 logG= -0.057180 TDE= -0.341881 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096262 logG= -0.009180 TDE= -0.056755 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087594 trlgG= -0.110535 logG= -0.007274 TDE= -0.042909 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022479 logG= -0.027449 Density= 0.214906 ETOT(band)= -0.231787 trlgG= -0.288362 logG= -0.027449 TDE= -0.170231 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094943 logG= -0.008829 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.022298 logG= -0.027299 Density= 0.214142 ETOT(band)= -0.232567 trlgG= -0.289766 logG= -0.027299 TDE= -0.170218 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009720 tlogG= -0.047778 logG= -0.057497 Density= 0.426942 ETOT(band)= -0.468177 trlgG= -0.586488 logG= -0.057497 TDE= -0.341602 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009766 tlogG= -0.047658 logG= -0.057424 Density= 0.426437 ETOT(band)= -0.468630 trlgG= -0.587641 logG= -0.057424 TDE= -0.341900 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.021884 logG= -0.027016 Density= 0.216515 ETOT(band)= -0.230402 trlgG= -0.286792 logG= -0.027016 TDE= -0.170275 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005042 tlogG= -0.021355 logG= -0.026397 Density= 0.216908 ETOT(band)= -0.229292 trlgG= -0.284584 logG= -0.026397 TDE= -0.169942 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005233 tlogG= -0.023963 logG= -0.029196 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 Density= 0.216282 ETOT(band)= -0.233351 trlgG= -0.294430 logG= -0.029196 TDE= -0.171619 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109731 logG= -0.007020 TDE= -0.042759 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215578 ETOT(band)= -0.233977 trlgG= -0.295146 logG= -0.029285 TDE= -0.171629 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023906 logG= -0.029324 Density= 0.215537 ETOT(band)= -0.233879 trlgG= -0.294872 logG= -0.029324 TDE= -0.171485 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024006 logG= -0.029246 Density= 0.216248 ETOT(band)= -0.233456 trlgG= -0.294663 logG= -0.029246 TDE= -0.171646 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.046723 logG= -0.056283 logGD-logG0= -0.005001 tlogG= -0.021210 logG= -0.026210 Density= 0.216232 ETOT(band)= -0.230156 trlgG= -0.285845 logG= -0.026210 TDE= -0.169849 Density= 0.427655 ETOT(band)= -0.466385 trlgG= -0.582496 logG= -0.056283 TDE= -0.341322 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215103 ETOT(band)= -0.233450 trlgG= -0.293227 logG= -0.028794 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 Density= 0.215224 ETOT(band)= -0.233884 trlgG= -0.294490 logG= -0.029117 TDE= -0.171476 logGD-logG0= -0.004959 tlogG= -0.021305 logG= -0.026264 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162566 ETOT(band)= -0.173072 trlgG= -0.216147 logG= -0.026264 TDE= -0.169929 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028840 Density= 0.321396 ETOT(band)= -0.351298 trlgG= -0.441827 logG= -0.028840 TDE= -0.171276 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029500 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215610 ETOT(band)= -0.234133 trlgG= -0.295562 logG= -0.029500 TDE= -0.171662 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023850 logG= -0.028981 Density= 0.215386 ETOT(band)= -0.233879 trlgG= -0.294595 logG= -0.028981 TDE= -0.171165 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 logGD-logG0= -0.010041 tlogG= -0.046411 logG= -0.056453 Density= 0.321463 ETOT(band)= -0.350249 trlgG= -0.439248 logG= -0.028111 TDE= -0.170951 Density= 0.429300 ETOT(band)= -0.465807 trlgG= -0.582161 logG= -0.056453 TDE= -0.341431 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029268 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322275 ETOT(band)= -0.351406 trlgG= -0.442504 logG= -0.029268 TDE= -0.171282 logGD-logG0= -0.005467 tlogG= -0.023692 logG= -0.029158 Density= 0.215298 ETOT(band)= -0.233732 trlgG= -0.294175 logG= -0.029158 TDE= -0.171308 logGD-logG0= -0.010510 tlogG= -0.047800 logG= -0.058310 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324189 ETOT(band)= -0.350089 trlgG= -0.441494 logG= -0.058310 TDE= -0.343132 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.022444 logG= -0.027615 Density= 0.216258 ETOT(band)= -0.231402 trlgG= -0.288913 logG= -0.027615 TDE= -0.170616 logGD-logG0= -0.010800 tlogG= -0.048052 logG= -0.058852 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323084 ETOT(band)= -0.351167 trlgG= -0.442849 logG= -0.058852 TDE= -0.343127 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.024088 logG= -0.029394 Density= 0.322898 ETOT(band)= -0.351377 trlgG= -0.443154 logG= -0.029394 TDE= -0.171476 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046615 logG= -0.056407 Density= 0.322534 ETOT(band)= -0.349198 trlgG= -0.436881 logG= -0.056407 TDE= -0.341710 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028862 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213672 ETOT(band)= -0.234137 trlgG= -0.293333 logG= -0.028862 TDE= -0.170844 logGD-logG0= -0.010286 tlogG= -0.045637 logG= -0.055923 Density= 0.323876 ETOT(band)= -0.348123 trlgG= -0.435437 logG= -0.055923 TDE= -0.341556 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010557 tlogG= -0.047248 logG= -0.057805 Density= 0.323970 ETOT(band)= -0.349723 trlgG= -0.440146 logG= -0.057805 TDE= -0.342739 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 logGD-logG0= -0.005084 tlogG= -0.023249 logG= -0.028333 Density= 0.214006 ETOT(band)= -0.234213 trlgG= -0.294457 logG= -0.028808 TDE= -0.171281 Density= 0.321532 ETOT(band)= -0.350754 trlgG= -0.440100 logG= -0.028333 TDE= -0.170905 logGD-logG0= -0.010555 tlogG= -0.046427 logG= -0.056982 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023377 logG= -0.028082 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214067 ETOT(band)= -0.233500 trlgG= -0.292662 logG= -0.028082 TDE= -0.170959 Density= 0.323831 ETOT(band)= -0.349067 trlgG= -0.438059 logG= -0.056982 TDE= -0.342181 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010074 tlogG= -0.044630 logG= -0.054705 Density= 0.324117 ETOT(band)= -0.346852 trlgG= -0.432422 logG= -0.054705 TDE= -0.340876 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023965 logG= -0.029368 Density= 0.323499 ETOT(band)= -0.350838 trlgG= -0.442589 logG= -0.029368 TDE= -0.171534 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028851 Density= 0.214995 ETOT(band)= -0.233476 trlgG= -0.293036 logG= -0.028851 TDE= -0.171014 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010255 tlogG= -0.048160 logG= -0.058415 logGD-logG0= -0.009612 tlogG= -0.046619 logG= -0.056230 Density= 0.427863 ETOT(band)= -0.467107 trlgG= -0.585104 logG= -0.056230 TDE= -0.341736 Density= 0.429077 ETOT(band)= -0.468517 trlgG= -0.589266 logG= -0.058415 TDE= -0.342414 logGD-logG0= -0.009751 tlogG= -0.047852 logG= -0.057603 Density= 0.427807 ETOT(band)= -0.468411 trlgG= -0.588500 logG= -0.057603 TDE= -0.342368 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.047968 logG= -0.058392 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428980 ETOT(band)= -0.468479 trlgG= -0.588915 logG= -0.058392 TDE= -0.342256 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010864 tlogG= -0.047708 logG= -0.058572 Density= 0.430874 ETOT(band)= -0.467709 trlgG= -0.589344 logG= -0.058572 TDE= -0.342879 logGD-logG0= -0.009927 tlogG= -0.047864 logG= -0.057792 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428910 ETOT(band)= -0.468182 trlgG= -0.588465 logG= -0.057792 TDE= -0.342353 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048080 logG= -0.058680 Density= 0.429922 ETOT(band)= -0.468348 trlgG= -0.589706 logG= -0.058680 TDE= -0.342757 logGD-logG0= -0.010768 tlogG= -0.047738 logG= -0.058506 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430531 ETOT(band)= -0.467768 trlgG= -0.588987 logG= -0.058506 TDE= -0.342773 logGD-logG0= -0.010367 tlogG= -0.047679 logG= -0.058046 Density= 0.428063 ETOT(band)= -0.468393 trlgG= -0.587830 logG= -0.058046 TDE= -0.342009 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.044635 logG= -0.054557 Density= 0.431378 ETOT(band)= -0.462322 trlgG= -0.575363 logG= -0.054557 TDE= -0.340516 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010108 tlogG= -0.047571 logG= -0.057679 logGD-logG0= -0.010427 tlogG= -0.046940 logG= -0.057368 Density= 0.428379 ETOT(band)= -0.467736 trlgG= -0.586866 logG= -0.057679 TDE= -0.342053 Density= 0.429654 ETOT(band)= -0.466721 trlgG= -0.584861 logG= -0.057368 TDE= -0.341723 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010389 tlogG= -0.048232 logG= -0.058621 Density= 0.429816 ETOT(band)= -0.468519 trlgG= -0.590035 logG= -0.058621 TDE= -0.342631 logGD-logG0= -0.010788 tlogG= -0.048033 logG= -0.058821 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431115 ETOT(band)= -0.467992 trlgG= -0.590338 logG= -0.058821 TDE= -0.343144 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010827 tlogG= -0.047277 logG= -0.058104 Density= 0.430259 ETOT(band)= -0.467344 trlgG= -0.587514 logG= -0.058104 TDE= -0.342388 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 Density= 0.322700 ETOT(band)= -0.348165 trlgG= -0.434490 logG= -0.027220 TDE= -0.170298 logGD-logG0= -0.010352 tlogG= -0.047580 logG= -0.057932 Density= 0.429786 ETOT(band)= -0.467368 trlgG= -0.586794 logG= -0.057932 TDE= -0.342169 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086398 trlgG= -0.107485 logG= -0.006707 TDE= -0.042584 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027179 Density= 0.214912 ETOT(band)= -0.232076 trlgG= -0.289409 logG= -0.027179 TDE= -0.170304 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.992371699639 eV TrLogG= -407.640207882368 eV Ratio to renormalize= 1.000556852960 rho-rho_expected=-0.012243947044 nargs= 1 argi=dmft2.def 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 98 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964751839301346 0.940610072011276 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058431 trlgG= -0.073343 logG= -0.014242 TDE= -0.085592 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028658 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146957 logG= -0.028658 TDE= -0.170914 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.022739 logG= -0.027827 Density= 0.108192 ETOT(band)= -0.115928 trlgG= -0.145149 logG= -0.027827 TDE= -0.170861 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027184 Density= 0.108302 ETOT(band)= -0.115485 trlgG= -0.144103 logG= -0.027184 TDE= -0.170513 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 Density= 0.107559 ETOT(band)= -0.116355 trlgG= -0.145492 logG= -0.028050 TDE= -0.170667 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028461 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 Density= 0.106917 ETOT(band)= -0.116903 trlgG= -0.146644 logG= -0.028461 TDE= -0.171090 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 logGD-logG0= -0.004799 tlogG= -0.022858 logG= -0.027657 Density= 0.107238 ETOT(band)= -0.116297 trlgG= -0.145208 logG= -0.027657 TDE= -0.170618 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039098 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073763 logG= -0.014668 TDE= -0.085686 Density= 0.053556 ETOT(band)= -0.058575 trlgG= -0.073706 logG= -0.014536 TDE= -0.085672 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 Density= 0.106055 ETOT(band)= -0.117230 trlgG= -0.146950 logG= -0.028441 TDE= -0.170991 logGD-logG0= -0.002361 tlogG= -0.011451 logG= -0.013812 Density= 0.053707 ETOT(band)= -0.058100 trlgG= -0.072577 logG= -0.013812 TDE= -0.085343 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004410 tlogG= -0.023980 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117186 trlgG= -0.146836 logG= -0.028390 TDE= -0.170953 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 Density= 0.054034 ETOT(band)= -0.057618 trlgG= -0.071616 logG= -0.013334 TDE= -0.085021 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027483 Density= 0.054111 ETOT(band)= -0.058324 trlgG= -0.073623 logG= -0.014574 TDE= -0.085825 Density= 0.107576 ETOT(band)= -0.116021 trlgG= -0.144595 logG= -0.027483 TDE= -0.170346 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023957 logG= -0.029151 Density= 0.108174 ETOT(band)= -0.116672 trlgG= -0.147251 logG= -0.029151 TDE= -0.171630 logGD-logG0= -0.005093 tlogG= -0.022462 logG= -0.027555 logGD-logG0= -0.005207 tlogG= -0.023770 logG= -0.028977 Density= 0.108123 ETOT(band)= -0.116597 trlgG= -0.146972 logG= -0.028977 TDE= -0.171500 logGD-logG0= -0.005341 tlogG= -0.024076 logG= -0.029416 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028149 Density= 0.107587 ETOT(band)= -0.117127 trlgG= -0.147671 logG= -0.029416 TDE= -0.171494 Density= 0.108147 ETOT(band)= -0.115792 trlgG= -0.144713 logG= -0.027555 TDE= -0.170674 Density= 0.108079 ETOT(band)= -0.116165 trlgG= -0.145661 logG= -0.028149 TDE= -0.170995 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 Density= 0.108076 ETOT(band)= -0.116435 trlgG= -0.146436 logG= -0.028639 TDE= -0.171278 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002656 tlogG= -0.011991 logG= -0.014648 Density= 0.053955 ETOT(band)= -0.058445 trlgG= -0.073745 logG= -0.014648 TDE= -0.085797 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023211 logG= -0.027893 Density= 0.106676 ETOT(band)= -0.116684 trlgG= -0.145626 logG= -0.027893 TDE= -0.170521 logGD-logG0= -0.005181 tlogG= -0.023878 logG= -0.029059 Density= 0.108195 ETOT(band)= -0.116607 trlgG= -0.147101 logG= -0.029059 TDE= -0.171583 logGD-logG0= -0.005379 tlogG= -0.024141 logG= -0.029520 Density= 0.107756 ETOT(band)= -0.117122 trlgG= -0.147859 logG= -0.029520 TDE= -0.171662 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029263 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023646 logG= -0.028708 Density= 0.107388 ETOT(band)= -0.117114 trlgG= -0.147398 logG= -0.029263 TDE= -0.171276 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 Density= 0.108139 ETOT(band)= -0.116258 trlgG= -0.146017 logG= -0.028375 TDE= -0.171154 logGD-logG0= -0.004796 tlogG= -0.023505 logG= -0.028301 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 Density= 0.107174 ETOT(band)= -0.117062 trlgG= -0.147003 logG= -0.029037 TDE= -0.171001 Density= 0.106714 ETOT(band)= -0.116874 trlgG= -0.146109 logG= -0.028301 TDE= -0.170616 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106920 ETOT(band)= -0.116992 trlgG= -0.146453 logG= -0.028708 TDE= -0.170655 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.023693 logG= -0.028584 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107321 ETOT(band)= -0.116782 trlgG= -0.146550 logG= -0.028584 TDE= -0.171074 logGD-logG0= -0.005373 tlogG= -0.023906 logG= -0.029279 Density= 0.107696 ETOT(band)= -0.116993 trlgG= -0.147454 logG= -0.029279 TDE= -0.171468 logGD-logG0= -0.004769 tlogG= -0.022995 logG= -0.027763 Density= 0.106812 ETOT(band)= -0.116552 trlgG= -0.145362 logG= -0.027763 TDE= -0.170455 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023611 logG= -0.028795 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108149 ETOT(band)= -0.116481 trlgG= -0.146681 logG= -0.028795 TDE= -0.171403 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 Density= 0.106698 ETOT(band)= -0.117176 trlgG= -0.147067 logG= -0.028864 TDE= -0.171003 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147292 logG= -0.029153 TDE= -0.171248 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 Density= 0.106538 ETOT(band)= -0.117022 trlgG= -0.146541 logG= -0.028415 TDE= -0.170846 Density= 0.106999 ETOT(band)= -0.117156 trlgG= -0.147320 logG= -0.029017 TDE= -0.171251 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.022854 logG= -0.027777 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145079 logG= -0.027777 TDE= -0.170593 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023199 logG= -0.028563 Density= 0.107627 ETOT(band)= -0.116603 trlgG= -0.146302 logG= -0.028563 TDE= -0.170999 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 Density= 0.107745 ETOT(band)= -0.116764 trlgG= -0.146932 logG= -0.028956 TDE= -0.171293 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 Density= 0.107861 ETOT(band)= -0.116860 trlgG= -0.147346 logG= -0.029209 TDE= -0.171512 logGD-logG0= -0.009588 tlogG= -0.045771 logG= -0.055359 Density= 0.214902 ETOT(band)= -0.232425 trlgG= -0.290316 logG= -0.055359 TDE= -0.341301 logGD-logG0= -0.009906 tlogG= -0.048256 logG= -0.058162 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214288 ETOT(band)= -0.234269 trlgG= -0.294714 logG= -0.058162 TDE= -0.342592 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029387 Density= 0.107892 ETOT(band)= -0.116966 trlgG= -0.147644 logG= -0.029387 TDE= -0.171647 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010628 tlogG= -0.047758 logG= -0.058386 logGD-logG0= -0.009771 tlogG= -0.047172 logG= -0.056943 Density= 0.213649 ETOT(band)= -0.233865 trlgG= -0.293140 logG= -0.056943 TDE= -0.341921 Density= 0.214646 ETOT(band)= -0.234191 trlgG= -0.294549 logG= -0.058386 TDE= -0.342380 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.047939 logG= -0.057604 logGD-logG0= -0.009868 tlogG= -0.045602 logG= -0.055470 Density= 0.214245 ETOT(band)= -0.232778 trlgG= -0.290497 logG= -0.055470 TDE= -0.341046 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213155 ETOT(band)= -0.234376 trlgG= -0.293860 logG= -0.057604 TDE= -0.341735 logGD-logG0= -0.010052 tlogG= -0.047913 logG= -0.057965 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213854 ETOT(band)= -0.234309 trlgG= -0.294404 logG= -0.057965 TDE= -0.342265 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.047990 logG= -0.058422 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.045659 logG= -0.055633 Density= 0.214963 ETOT(band)= -0.234099 trlgG= -0.294642 logG= -0.058422 TDE= -0.342594 logGD-logG0= -0.010493 tlogG= -0.047798 logG= -0.058291 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070767 logG= -0.012857 TDE= -0.084805 logGD-logG0= -0.009937 tlogG= -0.047163 logG= -0.057100 Density= 0.215035 ETOT(band)= -0.232500 trlgG= -0.290306 logG= -0.055633 TDE= -0.341083 Density= 0.214544 ETOT(band)= -0.234186 trlgG= -0.294380 logG= -0.058291 TDE= -0.342257 logGD-logG0= -0.010176 tlogG= -0.048040 logG= -0.058216 logGD-logG0= -0.009543 tlogG= -0.047459 logG= -0.057003 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214195 ETOT(band)= -0.233694 trlgG= -0.293268 logG= -0.057003 TDE= -0.342259 Density= 0.213661 ETOT(band)= -0.233909 trlgG= -0.292931 logG= -0.057100 TDE= -0.341562 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214419 ETOT(band)= -0.234215 trlgG= -0.294461 logG= -0.058216 TDE= -0.342350 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.047670 logG= -0.057966 Density= 0.213835 ETOT(band)= -0.234296 trlgG= -0.294156 logG= -0.057966 TDE= -0.342007 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.047543 logG= -0.058257 Density= 0.215591 ETOT(band)= -0.233687 trlgG= -0.294425 logG= -0.058257 TDE= -0.342853 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010665 tlogG= -0.048025 logG= -0.058691 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.048092 logG= -0.058675 Density= 0.214960 ETOT(band)= -0.234244 trlgG= -0.295059 logG= -0.058675 TDE= -0.342756 Density= 0.214997 ETOT(band)= -0.234235 trlgG= -0.295086 logG= -0.058691 TDE= -0.342787 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046421 logG= -0.056710 Density= 0.215103 ETOT(band)= -0.233062 trlgG= -0.291941 logG= -0.056710 TDE= -0.341675 logGD-logG0= -0.010640 tlogG= -0.047956 logG= -0.058596 logGD-logG0= -0.010523 tlogG= -0.047317 logG= -0.057840 Density= 0.214148 ETOT(band)= -0.234087 trlgG= -0.293631 logG= -0.057840 TDE= -0.341762 Density= 0.215788 ETOT(band)= -0.233803 trlgG= -0.294987 logG= -0.058596 TDE= -0.343174 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056673 logGD-logG0= -0.010730 tlogG= -0.046887 logG= -0.057617 Density= 0.215319 ETOT(band)= -0.233452 trlgG= -0.293385 logG= -0.057617 TDE= -0.342319 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010779 tlogG= -0.048155 logG= -0.058934 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215314 ETOT(band)= -0.234260 trlgG= -0.295522 logG= -0.058934 TDE= -0.343137 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009233 tlogG= -0.047642 logG= -0.056875 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010688 tlogG= -0.047430 logG= -0.058117 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215358 ETOT(band)= -0.233729 trlgG= -0.294186 logG= -0.058117 TDE= -0.342639 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212805 ETOT(band)= -0.234169 trlgG= -0.293215 logG= -0.056875 TDE= -0.341646 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010695 tlogG= -0.047905 logG= -0.058600 Density= 0.215659 ETOT(band)= -0.233876 trlgG= -0.294990 logG= -0.058600 TDE= -0.343110 logGD-logG0= -0.009899 tlogG= -0.047236 logG= -0.057135 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214363 ETOT(band)= -0.233654 trlgG= -0.293039 logG= -0.057135 TDE= -0.341982 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047162 logG= -0.057363 Density= 0.215039 ETOT(band)= -0.233464 trlgG= -0.292960 logG= -0.057363 TDE= -0.342009 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.021879 logG= -0.026924 Density= 0.108267 ETOT(band)= -0.115301 trlgG= -0.143654 logG= -0.026924 TDE= -0.170306 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021568 logG= -0.026527 Density= 0.108458 ETOT(band)= -0.114934 trlgG= -0.142973 logG= -0.026527 TDE= -0.170116 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005065 tlogG= -0.021700 logG= -0.026765 Density= 0.107874 ETOT(band)= -0.115399 trlgG= -0.143408 logG= -0.026765 TDE= -0.170024 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005125 tlogG= -0.021823 logG= -0.026948 Density= 0.107731 ETOT(band)= -0.115592 trlgG= -0.143718 logG= -0.026948 TDE= -0.170080 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010126 tlogG= -0.043399 logG= -0.053524 logGD-logG0= -0.005346 tlogG= -0.024095 logG= -0.029441 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147733 logG= -0.029441 TDE= -0.171653 Density= 0.216163 ETOT(band)= -0.230586 trlgG= -0.286789 logG= -0.053524 TDE= -0.340234 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108654 ETOT(band)= -0.114345 trlgG= -0.141814 logG= -0.025869 TDE= -0.169712 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109731 logG= -0.007020 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004636 tlogG= -0.023977 logG= -0.028613 Density= 0.212688 ETOT(band)= -0.234405 trlgG= -0.293819 logG= -0.028613 TDE= -0.170882 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.022974 logG= -0.028206 Density= 0.216114 ETOT(band)= -0.232200 trlgG= -0.290901 logG= -0.028206 TDE= -0.170951 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.022444 logG= -0.027615 Density= 0.216257 ETOT(band)= -0.231402 trlgG= -0.288913 logG= -0.027615 TDE= -0.170616 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028425 Density= 0.214754 ETOT(band)= -0.233077 trlgG= -0.291541 logG= -0.028425 TDE= -0.170669 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087658 trlgG= -0.110287 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007968 logG= -0.009419 Density= 0.070826 ETOT(band)= -0.077994 trlgG= -0.097564 logG= -0.009419 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 Density= 0.214067 ETOT(band)= -0.233500 trlgG= -0.292662 logG= -0.028082 TDE= -0.170959 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087594 trlgG= -0.110535 logG= -0.007274 TDE= -0.042909 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212048 ETOT(band)= -0.234511 trlgG= -0.294024 logG= -0.028495 TDE= -0.171029 logGD-logG0= -0.001290 tlogG= -0.005940 logG= -0.007231 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086398 trlgG= -0.107485 logG= -0.006707 TDE= -0.042584 Density= 0.080791 ETOT(band)= -0.087692 trlgG= -0.110483 logG= -0.007231 TDE= -0.042879 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 Density= 0.212497 ETOT(band)= -0.234128 trlgG= -0.293072 logG= -0.028137 TDE= -0.170746 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080794 ETOT(band)= -0.087013 trlgG= -0.108727 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067581 trlgG= -0.084302 logG= -0.006371 TDE= -0.042371 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215577 ETOT(band)= -0.233977 trlgG= -0.295145 logG= -0.029285 TDE= -0.171629 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027933 Density= 0.214681 ETOT(band)= -0.232524 trlgG= -0.290008 logG= -0.027933 TDE= -0.170482 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027179 Density= 0.214912 ETOT(band)= -0.232076 trlgG= -0.289409 logG= -0.027179 TDE= -0.170304 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005233 tlogG= -0.023963 logG= -0.029196 Density= 0.216282 ETOT(band)= -0.233351 trlgG= -0.294430 logG= -0.029196 TDE= -0.171619 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024006 logG= -0.029246 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 Density= 0.215224 ETOT(band)= -0.233884 trlgG= -0.294490 logG= -0.029117 TDE= -0.171476 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216248 ETOT(band)= -0.233455 trlgG= -0.294663 logG= -0.029246 TDE= -0.171646 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 Density= 0.215103 ETOT(band)= -0.233449 trlgG= -0.293227 logG= -0.028794 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023692 logG= -0.029158 Density= 0.215298 ETOT(band)= -0.233732 trlgG= -0.294175 logG= -0.029158 TDE= -0.171308 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023850 logG= -0.028981 Density= 0.215386 ETOT(band)= -0.233879 trlgG= -0.294595 logG= -0.028981 TDE= -0.171164 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028839 Density= 0.321395 ETOT(band)= -0.351297 trlgG= -0.441827 logG= -0.028839 TDE= -0.171276 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023963 logG= -0.029096 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028556 Density= 0.213163 ETOT(band)= -0.233992 trlgG= -0.292822 logG= -0.028556 TDE= -0.170834 Density= 0.214227 ETOT(band)= -0.234221 trlgG= -0.294239 logG= -0.029096 TDE= -0.171114 logGD-logG0= -0.010510 tlogG= -0.047800 logG= -0.058310 Density= 0.324189 ETOT(band)= -0.350089 trlgG= -0.441493 logG= -0.058310 TDE= -0.343131 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.045637 logG= -0.055923 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028235 Density= 0.212966 ETOT(band)= -0.233718 trlgG= -0.292095 logG= -0.028235 TDE= -0.170831 Density= 0.323876 ETOT(band)= -0.348123 trlgG= -0.435437 logG= -0.055923 TDE= -0.341555 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029236 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214630 ETOT(band)= -0.234291 trlgG= -0.294852 logG= -0.029236 TDE= -0.171287 logGD-logG0= -0.005260 tlogG= -0.023421 logG= -0.028681 Density= 0.216088 ETOT(band)= -0.232774 trlgG= -0.292518 logG= -0.028681 TDE= -0.171238 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 Density= 0.321462 ETOT(band)= -0.350249 trlgG= -0.439248 logG= -0.028111 TDE= -0.170951 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009766 tlogG= -0.047658 logG= -0.057424 Density= 0.426437 ETOT(band)= -0.468630 trlgG= -0.587641 logG= -0.057424 TDE= -0.341900 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028862 logGD-logG0= -0.010800 tlogG= -0.048052 logG= -0.058852 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213672 ETOT(band)= -0.234137 trlgG= -0.293333 logG= -0.028862 TDE= -0.170844 Density= 0.323083 ETOT(band)= -0.351167 trlgG= -0.442849 logG= -0.058852 TDE= -0.343126 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005305 tlogG= -0.024088 logG= -0.029394 Density= 0.322898 ETOT(band)= -0.351377 trlgG= -0.443154 logG= -0.029394 TDE= -0.171475 logGD-logG0= -0.010557 tlogG= -0.047248 logG= -0.057805 Density= 0.323969 ETOT(band)= -0.349722 trlgG= -0.440145 logG= -0.057805 TDE= -0.342739 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.046426 logG= -0.056982 Density= 0.323831 ETOT(band)= -0.349067 trlgG= -0.438059 logG= -0.056982 TDE= -0.342181 logGD-logG0= -0.005084 tlogG= -0.023249 logG= -0.028333 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029268 Density= 0.322274 ETOT(band)= -0.351406 trlgG= -0.442503 logG= -0.029268 TDE= -0.171282 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321532 ETOT(band)= -0.350754 trlgG= -0.440100 logG= -0.028333 TDE= -0.170905 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008474 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052853 logG= -0.008474 TDE= -0.056478 logGD-logG0= -0.005253 tlogG= -0.023768 logG= -0.029022 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216170 ETOT(band)= -0.233153 trlgG= -0.293725 logG= -0.029022 TDE= -0.171478 logGD-logG0= -0.009720 tlogG= -0.047777 logG= -0.057497 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426942 ETOT(band)= -0.468177 trlgG= -0.586488 logG= -0.057497 TDE= -0.341601 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213456 ETOT(band)= -0.234277 trlgG= -0.294071 logG= -0.028733 TDE= -0.171100 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023906 logG= -0.029324 Density= 0.215537 ETOT(band)= -0.233879 trlgG= -0.294872 logG= -0.029324 TDE= -0.171485 Density= 0.214006 ETOT(band)= -0.234213 trlgG= -0.294457 logG= -0.028808 TDE= -0.171281 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.023251 logG= -0.028088 Density= 0.213380 ETOT(band)= -0.233745 trlgG= -0.292553 logG= -0.028088 TDE= -0.170795 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009073 tlogG= -0.048106 logG= -0.057180 Density= 0.425293 ETOT(band)= -0.468609 trlgG= -0.587125 logG= -0.057180 TDE= -0.341881 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046615 logG= -0.056407 Density= 0.322534 ETOT(band)= -0.349197 trlgG= -0.436880 logG= -0.056407 TDE= -0.341710 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023965 logG= -0.029368 Density= 0.323498 ETOT(band)= -0.350837 trlgG= -0.442588 logG= -0.029368 TDE= -0.171534 logGD-logG0= -0.010255 tlogG= -0.048160 logG= -0.058415 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429077 ETOT(band)= -0.468517 trlgG= -0.589266 logG= -0.058415 TDE= -0.342413 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028851 Density= 0.214995 ETOT(band)= -0.233476 trlgG= -0.293035 logG= -0.028851 TDE= -0.171014 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096262 logG= -0.009180 TDE= -0.056755 logGD-logG0= -0.010600 tlogG= -0.048080 logG= -0.058680 Density= 0.429922 ETOT(band)= -0.468348 trlgG= -0.589706 logG= -0.058680 TDE= -0.342756 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.046723 logG= -0.056283 logGD-logG0= -0.009751 tlogG= -0.047852 logG= -0.057603 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.047679 logG= -0.058046 Density= 0.428063 ETOT(band)= -0.468392 trlgG= -0.587830 logG= -0.058046 TDE= -0.342009 logGD-logG0= -0.010425 tlogG= -0.047968 logG= -0.058392 Density= 0.428980 ETOT(band)= -0.468479 trlgG= -0.588914 logG= -0.058392 TDE= -0.342255 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427807 ETOT(band)= -0.468411 trlgG= -0.588500 logG= -0.057603 TDE= -0.342368 Density= 0.427655 ETOT(band)= -0.466385 trlgG= -0.582495 logG= -0.056283 TDE= -0.341321 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010864 tlogG= -0.047708 logG= -0.058572 Density= 0.430873 ETOT(band)= -0.467709 trlgG= -0.589343 logG= -0.058572 TDE= -0.342879 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046619 logG= -0.056230 Density= 0.427863 ETOT(band)= -0.467107 trlgG= -0.585103 logG= -0.056230 TDE= -0.341736 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010768 tlogG= -0.047738 logG= -0.058506 Density= 0.430531 ETOT(band)= -0.467768 trlgG= -0.588986 logG= -0.058506 TDE= -0.342772 logGD-logG0= -0.009927 tlogG= -0.047864 logG= -0.057792 Density= 0.428910 ETOT(band)= -0.468182 trlgG= -0.588465 logG= -0.057792 TDE= -0.342353 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021305 logG= -0.026264 Density= 0.162566 ETOT(band)= -0.173072 trlgG= -0.216147 logG= -0.026264 TDE= -0.169929 logGD-logG0= -0.010389 tlogG= -0.048232 logG= -0.058621 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429816 ETOT(band)= -0.468518 trlgG= -0.590035 logG= -0.058621 TDE= -0.342631 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.046411 logG= -0.056453 Density= 0.429300 ETOT(band)= -0.465807 trlgG= -0.582160 logG= -0.056453 TDE= -0.341431 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010427 tlogG= -0.046940 logG= -0.057368 Density= 0.429653 ETOT(band)= -0.466720 trlgG= -0.584861 logG= -0.057368 TDE= -0.341723 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.047571 logG= -0.057679 logGD-logG0= -0.010788 tlogG= -0.048033 logG= -0.058821 Density= 0.428378 ETOT(band)= -0.467735 trlgG= -0.586865 logG= -0.057679 TDE= -0.342053 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431115 ETOT(band)= -0.467992 trlgG= -0.590337 logG= -0.058821 TDE= -0.343144 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047580 logG= -0.057932 Density= 0.429785 ETOT(band)= -0.467367 trlgG= -0.586793 logG= -0.057932 TDE= -0.342168 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081517 ETOT(band)= -0.085729 trlgG= -0.106323 logG= -0.006526 TDE= -0.042473 logGD-logG0= -0.010827 tlogG= -0.047277 logG= -0.058104 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430259 ETOT(band)= -0.467344 trlgG= -0.587513 logG= -0.058104 TDE= -0.342388 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 logGD-logG0= -0.010074 tlogG= -0.044630 logG= -0.054705 Density= 0.322700 ETOT(band)= -0.348165 trlgG= -0.434489 logG= -0.027220 TDE= -0.170298 Density= 0.324117 ETOT(band)= -0.346852 trlgG= -0.432422 logG= -0.054705 TDE= -0.340876 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029500 Density= 0.215610 ETOT(band)= -0.234133 trlgG= -0.295562 logG= -0.029500 TDE= -0.171662 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022298 logG= -0.027299 Density= 0.214142 ETOT(band)= -0.232567 trlgG= -0.289766 logG= -0.027299 TDE= -0.170217 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094943 logG= -0.008829 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004970 tlogG= -0.022478 logG= -0.027449 Density= 0.214906 ETOT(band)= -0.231786 trlgG= -0.288362 logG= -0.027449 TDE= -0.170231 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.021210 logG= -0.026210 Density= 0.216232 ETOT(band)= -0.230156 trlgG= -0.285845 logG= -0.026210 TDE= -0.169848 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005133 tlogG= -0.021884 logG= -0.027016 Density= 0.216514 ETOT(band)= -0.230402 trlgG= -0.286792 logG= -0.027016 TDE= -0.170275 logGD-logG0= -0.009922 tlogG= -0.044635 logG= -0.054557 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431378 ETOT(band)= -0.462322 trlgG= -0.575363 logG= -0.054557 TDE= -0.340515 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005042 tlogG= -0.021355 logG= -0.026397 Density= 0.216908 ETOT(band)= -0.229292 trlgG= -0.284584 logG= -0.026397 TDE= -0.169942 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.992159259298 eV TrLogG= -407.639858669073 eV Ratio to renormalize= 1.000557266072 rho-rho_expected=-0.012253025397 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964760135368161 0.940617536984517 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058431 trlgG= -0.073343 logG= -0.014242 TDE= -0.085592 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002362 tlogG= -0.011450 logG= -0.013812 Density= 0.053707 ETOT(band)= -0.058099 trlgG= -0.072577 logG= -0.013812 TDE= -0.085342 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027184 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028658 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146956 logG= -0.028658 TDE= -0.170914 Density= 0.108302 ETOT(band)= -0.115485 trlgG= -0.144103 logG= -0.027184 TDE= -0.170512 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.022738 logG= -0.027827 Density= 0.108192 ETOT(band)= -0.115928 trlgG= -0.145148 logG= -0.027827 TDE= -0.170860 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 Density= 0.108138 ETOT(band)= -0.116258 trlgG= -0.146016 logG= -0.028375 TDE= -0.171154 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028461 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106917 ETOT(band)= -0.116903 trlgG= -0.146643 logG= -0.028461 TDE= -0.171089 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 Density= 0.054034 ETOT(band)= -0.057618 trlgG= -0.071616 logG= -0.013334 TDE= -0.085021 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073762 logG= -0.014668 TDE= -0.085685 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 Density= 0.054110 ETOT(band)= -0.058323 trlgG= -0.073623 logG= -0.014574 TDE= -0.085825 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002657 tlogG= -0.011991 logG= -0.014648 Density= 0.053955 ETOT(band)= -0.058445 trlgG= -0.073745 logG= -0.014648 TDE= -0.085797 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023611 logG= -0.028795 Density= 0.108149 ETOT(band)= -0.116481 trlgG= -0.146680 logG= -0.028795 TDE= -0.171402 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 Density= 0.107860 ETOT(band)= -0.116859 trlgG= -0.147346 logG= -0.029209 TDE= -0.171512 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009869 tlogG= -0.045602 logG= -0.055470 Density= 0.214245 ETOT(band)= -0.232777 trlgG= -0.290495 logG= -0.055470 TDE= -0.341044 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 Density= 0.053555 ETOT(band)= -0.058575 trlgG= -0.073705 logG= -0.014536 TDE= -0.085671 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039098 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.022462 logG= -0.027555 Density= 0.108146 ETOT(band)= -0.115792 trlgG= -0.144712 logG= -0.027555 TDE= -0.170673 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 logGD-logG0= -0.005341 tlogG= -0.024075 logG= -0.029416 Density= 0.107587 ETOT(band)= -0.117127 trlgG= -0.147670 logG= -0.029416 TDE= -0.171493 Density= 0.108075 ETOT(band)= -0.116435 trlgG= -0.146436 logG= -0.028639 TDE= -0.171278 logGD-logG0= -0.005208 tlogG= -0.023770 logG= -0.028977 Density= 0.108123 ETOT(band)= -0.116597 trlgG= -0.146972 logG= -0.028977 TDE= -0.171499 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 Density= 0.106055 ETOT(band)= -0.117230 trlgG= -0.146949 logG= -0.028441 TDE= -0.170990 logGD-logG0= -0.005194 tlogG= -0.023956 logG= -0.029151 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108174 ETOT(band)= -0.116671 trlgG= -0.147250 logG= -0.029151 TDE= -0.171629 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.021879 logG= -0.026924 logGD-logG0= -0.004410 tlogG= -0.023980 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117186 trlgG= -0.146835 logG= -0.028390 TDE= -0.170952 Density= 0.108267 ETOT(band)= -0.115301 trlgG= -0.143654 logG= -0.026924 TDE= -0.170305 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028149 Density= 0.108079 ETOT(band)= -0.116165 trlgG= -0.145661 logG= -0.028149 TDE= -0.170994 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023211 logG= -0.027893 Density= 0.106676 ETOT(band)= -0.116683 trlgG= -0.145625 logG= -0.027893 TDE= -0.170520 logGD-logG0= -0.005346 tlogG= -0.024094 logG= -0.029441 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023878 logG= -0.029059 logGD-logG0= -0.005374 tlogG= -0.023906 logG= -0.029279 logGD-logG0= -0.005380 tlogG= -0.024141 logG= -0.029520 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147732 logG= -0.029441 TDE= -0.171653 Density= 0.107696 ETOT(band)= -0.116992 trlgG= -0.147454 logG= -0.029279 TDE= -0.171468 Density= 0.108195 ETOT(band)= -0.116607 trlgG= -0.147101 logG= -0.029059 TDE= -0.171582 Density= 0.107756 ETOT(band)= -0.117122 trlgG= -0.147859 logG= -0.029520 TDE= -0.171661 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107174 ETOT(band)= -0.117062 trlgG= -0.147003 logG= -0.029037 TDE= -0.171001 logGD-logG0= -0.004769 tlogG= -0.022995 logG= -0.027763 Density= 0.106812 ETOT(band)= -0.116551 trlgG= -0.145361 logG= -0.027763 TDE= -0.170454 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029263 Density= 0.107388 ETOT(band)= -0.117113 trlgG= -0.147397 logG= -0.029263 TDE= -0.171275 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027483 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023646 logG= -0.028708 Density= 0.107576 ETOT(band)= -0.116021 trlgG= -0.144594 logG= -0.027483 TDE= -0.170345 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106920 ETOT(band)= -0.116991 trlgG= -0.146453 logG= -0.028708 TDE= -0.170654 logGD-logG0= -0.004891 tlogG= -0.023693 logG= -0.028584 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107321 ETOT(band)= -0.116782 trlgG= -0.146549 logG= -0.028584 TDE= -0.171073 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 Density= 0.106698 ETOT(band)= -0.117176 trlgG= -0.147067 logG= -0.028864 TDE= -0.171002 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 Density= 0.106537 ETOT(band)= -0.117022 trlgG= -0.146540 logG= -0.028415 TDE= -0.170845 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147291 logG= -0.029153 TDE= -0.171247 logGD-logG0= -0.004796 tlogG= -0.023504 logG= -0.028301 Density= 0.106714 ETOT(band)= -0.116874 trlgG= -0.146108 logG= -0.028301 TDE= -0.170615 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 Density= 0.107558 ETOT(band)= -0.116355 trlgG= -0.145492 logG= -0.028050 TDE= -0.170667 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.022854 logG= -0.027777 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145079 logG= -0.027777 TDE= -0.170592 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 Density= 0.106998 ETOT(band)= -0.117156 trlgG= -0.147320 logG= -0.029017 TDE= -0.171251 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023199 logG= -0.028563 Density= 0.107626 ETOT(band)= -0.116602 trlgG= -0.146302 logG= -0.028563 TDE= -0.170998 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022857 logG= -0.027657 Density= 0.107238 ETOT(band)= -0.116296 trlgG= -0.145208 logG= -0.027657 TDE= -0.170618 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 Density= 0.107744 ETOT(band)= -0.116763 trlgG= -0.146931 logG= -0.028956 TDE= -0.171292 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009233 tlogG= -0.047642 logG= -0.056875 Density= 0.212805 ETOT(band)= -0.234168 trlgG= -0.293213 logG= -0.056875 TDE= -0.341645 logGD-logG0= -0.009906 tlogG= -0.048256 logG= -0.058162 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029387 Density= 0.107892 ETOT(band)= -0.116966 trlgG= -0.147643 logG= -0.029387 TDE= -0.171647 logGD-logG0= -0.010052 tlogG= -0.047913 logG= -0.057965 Density= 0.213854 ETOT(band)= -0.234308 trlgG= -0.294403 logG= -0.057965 TDE= -0.342263 logGD-logG0= -0.009588 tlogG= -0.045771 logG= -0.055359 Density= 0.214288 ETOT(band)= -0.234268 trlgG= -0.294712 logG= -0.058162 TDE= -0.342591 Density= 0.214901 ETOT(band)= -0.232424 trlgG= -0.290314 logG= -0.055359 TDE= -0.341299 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010629 tlogG= -0.047758 logG= -0.058386 Density= 0.214645 ETOT(band)= -0.234190 trlgG= -0.294548 logG= -0.058386 TDE= -0.342379 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.047939 logG= -0.057604 Density= 0.213155 ETOT(band)= -0.234375 trlgG= -0.293858 logG= -0.057604 TDE= -0.341734 logGD-logG0= -0.009937 tlogG= -0.047163 logG= -0.057099 Density= 0.213661 ETOT(band)= -0.233908 trlgG= -0.292930 logG= -0.057099 TDE= -0.341561 logGD-logG0= -0.009772 tlogG= -0.047172 logG= -0.056943 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213649 ETOT(band)= -0.233864 trlgG= -0.293139 logG= -0.056943 TDE= -0.341920 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010126 tlogG= -0.043398 logG= -0.053524 Density= 0.216163 ETOT(band)= -0.230585 trlgG= -0.286788 logG= -0.053524 TDE= -0.340232 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.048092 logG= -0.058675 Density= 0.214960 ETOT(band)= -0.234243 trlgG= -0.295057 logG= -0.058675 TDE= -0.342755 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009974 tlogG= -0.045659 logG= -0.055633 logGD-logG0= -0.010493 tlogG= -0.047797 logG= -0.058291 Density= 0.215034 ETOT(band)= -0.232499 trlgG= -0.290305 logG= -0.055633 TDE= -0.341082 logGD-logG0= -0.010433 tlogG= -0.047989 logG= -0.058422 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 Density= 0.214544 ETOT(band)= -0.234185 trlgG= -0.294379 logG= -0.058291 TDE= -0.342255 logGD-logG0= -0.010295 tlogG= -0.047670 logG= -0.057966 Density= 0.213835 ETOT(band)= -0.234295 trlgG= -0.294155 logG= -0.057966 TDE= -0.342005 Density= 0.214962 ETOT(band)= -0.234098 trlgG= -0.294641 logG= -0.058422 TDE= -0.342593 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010666 tlogG= -0.048025 logG= -0.058691 Density= 0.214997 ETOT(band)= -0.234234 trlgG= -0.295085 logG= -0.058691 TDE= -0.342785 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070767 logG= -0.012857 TDE= -0.084805 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010176 tlogG= -0.048040 logG= -0.058216 Density= 0.214419 ETOT(band)= -0.234214 trlgG= -0.294460 logG= -0.058216 TDE= -0.342349 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010715 tlogG= -0.047543 logG= -0.058257 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056672 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.047317 logG= -0.057840 Density= 0.214148 ETOT(band)= -0.234086 trlgG= -0.293630 logG= -0.057840 TDE= -0.341761 logGD-logG0= -0.010640 tlogG= -0.047956 logG= -0.058596 Density= 0.215788 ETOT(band)= -0.233802 trlgG= -0.294986 logG= -0.058596 TDE= -0.343173 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010730 tlogG= -0.046887 logG= -0.057617 Density= 0.215319 ETOT(band)= -0.233451 trlgG= -0.293384 logG= -0.057617 TDE= -0.342317 Density= 0.215591 ETOT(band)= -0.233686 trlgG= -0.294424 logG= -0.058257 TDE= -0.342852 logGD-logG0= -0.010779 tlogG= -0.048155 logG= -0.058934 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046421 logG= -0.056710 Density= 0.215103 ETOT(band)= -0.233061 trlgG= -0.291940 logG= -0.056710 TDE= -0.341673 Density= 0.215314 ETOT(band)= -0.234259 trlgG= -0.295521 logG= -0.058934 TDE= -0.343135 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009544 tlogG= -0.047459 logG= -0.057003 Density= 0.214195 ETOT(band)= -0.233693 trlgG= -0.293266 logG= -0.057003 TDE= -0.342258 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109731 logG= -0.007020 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010688 tlogG= -0.047429 logG= -0.058117 Density= 0.215358 ETOT(band)= -0.233728 trlgG= -0.294185 logG= -0.058117 TDE= -0.342638 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010695 tlogG= -0.047905 logG= -0.058600 Density= 0.215659 ETOT(band)= -0.233875 trlgG= -0.294989 logG= -0.058600 TDE= -0.343108 logGD-logG0= -0.010201 tlogG= -0.047162 logG= -0.057363 logGD-logG0= -0.009899 tlogG= -0.047236 logG= -0.057135 Density= 0.214362 ETOT(band)= -0.233653 trlgG= -0.293038 logG= -0.057135 TDE= -0.341980 Density= 0.215039 ETOT(band)= -0.233463 trlgG= -0.292959 logG= -0.057363 TDE= -0.342008 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080794 ETOT(band)= -0.087013 trlgG= -0.108726 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021568 logG= -0.026527 Density= 0.108457 ETOT(band)= -0.114933 trlgG= -0.142972 logG= -0.026527 TDE= -0.170116 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004636 tlogG= -0.023977 logG= -0.028613 Density= 0.212688 ETOT(band)= -0.234404 trlgG= -0.293817 logG= -0.028613 TDE= -0.170881 logGD-logG0= -0.005172 tlogG= -0.022444 logG= -0.027615 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216257 ETOT(band)= -0.231401 trlgG= -0.288912 logG= -0.027615 TDE= -0.170615 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.022973 logG= -0.028206 Density= 0.216114 ETOT(band)= -0.232199 trlgG= -0.290900 logG= -0.028206 TDE= -0.170950 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.023421 logG= -0.028681 Density= 0.216088 ETOT(band)= -0.232773 trlgG= -0.292517 logG= -0.028681 TDE= -0.171238 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 Density= 0.214066 ETOT(band)= -0.233499 trlgG= -0.292661 logG= -0.028082 TDE= -0.170958 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.021823 logG= -0.026948 Density= 0.107730 ETOT(band)= -0.115592 trlgG= -0.143718 logG= -0.026948 TDE= -0.170080 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005066 tlogG= -0.021699 logG= -0.026765 Density= 0.107874 ETOT(band)= -0.115399 trlgG= -0.143407 logG= -0.026765 TDE= -0.170023 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 Density= 0.108654 ETOT(band)= -0.114344 trlgG= -0.141814 logG= -0.025869 TDE= -0.169712 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086398 trlgG= -0.107485 logG= -0.006707 TDE= -0.042584 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001290 tlogG= -0.005940 logG= -0.007231 Density= 0.080790 ETOT(band)= -0.087692 trlgG= -0.110483 logG= -0.007231 TDE= -0.042878 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087594 trlgG= -0.110535 logG= -0.007274 TDE= -0.042908 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023768 logG= -0.029022 Density= 0.216170 ETOT(band)= -0.233153 trlgG= -0.293724 logG= -0.029022 TDE= -0.171477 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023905 logG= -0.029324 Density= 0.215536 ETOT(band)= -0.233878 trlgG= -0.294871 logG= -0.029324 TDE= -0.171484 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.021305 logG= -0.026264 Density= 0.162566 ETOT(band)= -0.173071 trlgG= -0.216146 logG= -0.026264 TDE= -0.169928 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009561 tlogG= -0.046723 logG= -0.056283 Density= 0.427655 ETOT(band)= -0.466383 trlgG= -0.582493 logG= -0.056283 TDE= -0.341320 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087658 trlgG= -0.110286 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010075 tlogG= -0.044630 logG= -0.054705 Density= 0.324116 ETOT(band)= -0.346850 trlgG= -0.432420 logG= -0.054705 TDE= -0.340875 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212048 ETOT(band)= -0.234510 trlgG= -0.294022 logG= -0.028495 TDE= -0.171029 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 Density= 0.212496 ETOT(band)= -0.234127 trlgG= -0.293071 logG= -0.028137 TDE= -0.170745 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215577 ETOT(band)= -0.233976 trlgG= -0.295144 logG= -0.029285 TDE= -0.171628 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008474 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052853 logG= -0.008474 TDE= -0.056478 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001200 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067581 trlgG= -0.084301 logG= -0.006371 TDE= -0.042371 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027933 Density= 0.214680 ETOT(band)= -0.232523 trlgG= -0.290007 logG= -0.027933 TDE= -0.170481 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028235 Density= 0.212965 ETOT(band)= -0.233717 trlgG= -0.292093 logG= -0.028235 TDE= -0.170830 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028556 Density= 0.213162 ETOT(band)= -0.233991 trlgG= -0.292821 logG= -0.028556 TDE= -0.170833 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 Density= 0.215224 ETOT(band)= -0.233883 trlgG= -0.294489 logG= -0.029117 TDE= -0.171475 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024006 logG= -0.029246 Density= 0.216247 ETOT(band)= -0.233455 trlgG= -0.294662 logG= -0.029246 TDE= -0.171645 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 Density= 0.215103 ETOT(band)= -0.233448 trlgG= -0.293225 logG= -0.028794 TDE= -0.171218 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096262 logG= -0.009180 TDE= -0.056754 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023849 logG= -0.028981 Density= 0.215386 ETOT(band)= -0.233878 trlgG= -0.294594 logG= -0.028981 TDE= -0.171164 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029500 Density= 0.215610 ETOT(band)= -0.234132 trlgG= -0.295560 logG= -0.029500 TDE= -0.171661 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.045637 logG= -0.055923 Density= 0.323876 ETOT(band)= -0.348122 trlgG= -0.435436 logG= -0.055923 TDE= -0.341554 logGD-logG0= -0.005134 tlogG= -0.023963 logG= -0.029096 Density= 0.214227 ETOT(band)= -0.234220 trlgG= -0.294238 logG= -0.029096 TDE= -0.171113 logGD-logG0= -0.010510 tlogG= -0.047799 logG= -0.058310 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023963 logG= -0.029196 Density= 0.324188 ETOT(band)= -0.350088 trlgG= -0.441492 logG= -0.058310 TDE= -0.343130 Density= 0.216281 ETOT(band)= -0.233350 trlgG= -0.294429 logG= -0.029196 TDE= -0.171618 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081516 ETOT(band)= -0.085728 trlgG= -0.106322 logG= -0.006526 TDE= -0.042473 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029236 Density= 0.214629 ETOT(band)= -0.234290 trlgG= -0.294851 logG= -0.029236 TDE= -0.171286 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010800 tlogG= -0.048052 logG= -0.058852 Density= 0.323083 ETOT(band)= -0.351166 trlgG= -0.442847 logG= -0.058852 TDE= -0.343125 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010557 tlogG= -0.047248 logG= -0.057805 Density= 0.323969 ETOT(band)= -0.349721 trlgG= -0.440144 logG= -0.057805 TDE= -0.342738 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029267 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023248 logG= -0.028333 Density= 0.322274 ETOT(band)= -0.351405 trlgG= -0.442502 logG= -0.029267 TDE= -0.171281 Density= 0.321532 ETOT(band)= -0.350753 trlgG= -0.440098 logG= -0.028333 TDE= -0.170904 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028839 Density= 0.321395 ETOT(band)= -0.351296 trlgG= -0.441825 logG= -0.028839 TDE= -0.171275 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028862 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213672 ETOT(band)= -0.234136 trlgG= -0.293332 logG= -0.028862 TDE= -0.170844 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213456 ETOT(band)= -0.234276 trlgG= -0.294070 logG= -0.028733 TDE= -0.171099 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 Density= 0.214006 ETOT(band)= -0.234212 trlgG= -0.294456 logG= -0.028808 TDE= -0.171281 logGD-logG0= -0.005306 tlogG= -0.024088 logG= -0.029394 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322897 ETOT(band)= -0.351375 trlgG= -0.443152 logG= -0.029394 TDE= -0.171475 logGD-logG0= -0.005404 tlogG= -0.023965 logG= -0.029368 logGD-logG0= -0.004837 tlogG= -0.023250 logG= -0.028088 Density= 0.213379 ETOT(band)= -0.233744 trlgG= -0.292552 logG= -0.028088 TDE= -0.170795 Density= 0.323498 ETOT(band)= -0.350836 trlgG= -0.442587 logG= -0.029368 TDE= -0.171533 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.046426 logG= -0.056982 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323830 ETOT(band)= -0.349065 trlgG= -0.438057 logG= -0.056982 TDE= -0.342180 logGD-logG0= -0.005467 tlogG= -0.023691 logG= -0.029158 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215298 ETOT(band)= -0.233731 trlgG= -0.294174 logG= -0.029158 TDE= -0.171307 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094943 logG= -0.008829 TDE= -0.056639 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009074 tlogG= -0.048106 logG= -0.057180 logGD-logG0= -0.009792 tlogG= -0.046615 logG= -0.056407 Density= 0.322534 ETOT(band)= -0.349196 trlgG= -0.436879 logG= -0.056407 TDE= -0.341708 Density= 0.425292 ETOT(band)= -0.468607 trlgG= -0.587123 logG= -0.057180 TDE= -0.341879 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028851 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214995 ETOT(band)= -0.233475 trlgG= -0.293034 logG= -0.028851 TDE= -0.171013 logGD-logG0= -0.005001 tlogG= -0.022297 logG= -0.027299 Density= 0.214142 ETOT(band)= -0.232566 trlgG= -0.289765 logG= -0.027299 TDE= -0.170217 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001452 tlogG= -0.007968 logG= -0.009419 Density= 0.070826 ETOT(band)= -0.077994 trlgG= -0.097564 logG= -0.009419 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009752 tlogG= -0.047851 logG= -0.057603 Density= 0.427806 ETOT(band)= -0.468409 trlgG= -0.588497 logG= -0.057603 TDE= -0.342366 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028425 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214753 ETOT(band)= -0.233077 trlgG= -0.291540 logG= -0.028425 TDE= -0.170669 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010255 tlogG= -0.048160 logG= -0.058415 Density= 0.429076 ETOT(band)= -0.468515 trlgG= -0.589264 logG= -0.058415 TDE= -0.342412 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 Density= 0.321462 ETOT(band)= -0.350247 trlgG= -0.439246 logG= -0.028111 TDE= -0.170950 logGD-logG0= -0.010368 tlogG= -0.047679 logG= -0.058046 Density= 0.428062 ETOT(band)= -0.468390 trlgG= -0.587828 logG= -0.058046 TDE= -0.342007 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010425 tlogG= -0.047967 logG= -0.058392 Density= 0.428979 ETOT(band)= -0.468477 trlgG= -0.588912 logG= -0.058392 TDE= -0.342254 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.044635 logG= -0.054557 Density= 0.431378 ETOT(band)= -0.462320 trlgG= -0.575361 logG= -0.054557 TDE= -0.340514 logGD-logG0= -0.010389 tlogG= -0.048232 logG= -0.058621 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009766 tlogG= -0.047658 logG= -0.057424 Density= 0.426436 ETOT(band)= -0.468628 trlgG= -0.587638 logG= -0.057424 TDE= -0.341899 Density= 0.429815 ETOT(band)= -0.468517 trlgG= -0.590033 logG= -0.058621 TDE= -0.342630 logGD-logG0= -0.010769 tlogG= -0.047737 logG= -0.058506 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048080 logG= -0.058680 Density= 0.429921 ETOT(band)= -0.468346 trlgG= -0.589704 logG= -0.058680 TDE= -0.342755 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430530 ETOT(band)= -0.467766 trlgG= -0.588984 logG= -0.058506 TDE= -0.342771 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010864 tlogG= -0.047707 logG= -0.058572 Density= 0.430873 ETOT(band)= -0.467707 trlgG= -0.589341 logG= -0.058572 TDE= -0.342878 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047777 logG= -0.057497 logGD-logG0= -0.009928 tlogG= -0.047864 logG= -0.057792 Density= 0.428909 ETOT(band)= -0.468180 trlgG= -0.588463 logG= -0.057792 TDE= -0.342352 Density= 0.426941 ETOT(band)= -0.468175 trlgG= -0.586485 logG= -0.057497 TDE= -0.341600 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046619 logG= -0.056230 Density= 0.427862 ETOT(band)= -0.467105 trlgG= -0.585101 logG= -0.056230 TDE= -0.341735 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010428 tlogG= -0.046940 logG= -0.057368 logGD-logG0= -0.010042 tlogG= -0.046411 logG= -0.056453 Density= 0.429653 ETOT(band)= -0.466718 trlgG= -0.584859 logG= -0.057368 TDE= -0.341721 Density= 0.429299 ETOT(band)= -0.465805 trlgG= -0.582158 logG= -0.056453 TDE= -0.341430 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010788 tlogG= -0.048033 logG= -0.058821 Density= 0.431114 ETOT(band)= -0.467990 trlgG= -0.590335 logG= -0.058821 TDE= -0.343143 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010827 tlogG= -0.047277 logG= -0.058104 logGD-logG0= -0.010109 tlogG= -0.047571 logG= -0.057679 Density= 0.430258 ETOT(band)= -0.467342 trlgG= -0.587511 logG= -0.058104 TDE= -0.342387 Density= 0.428378 ETOT(band)= -0.467734 trlgG= -0.586863 logG= -0.057679 TDE= -0.342051 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047580 logG= -0.057932 logGD-logG0= -0.004971 tlogG= -0.022478 logG= -0.027449 Density= 0.214906 ETOT(band)= -0.231786 trlgG= -0.288361 logG= -0.027449 TDE= -0.170230 Density= 0.429785 ETOT(band)= -0.467365 trlgG= -0.586791 logG= -0.057932 TDE= -0.342167 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 Density= 0.322699 ETOT(band)= -0.348163 trlgG= -0.434488 logG= -0.027220 TDE= -0.170297 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005133 tlogG= -0.021884 logG= -0.027016 Density= 0.216514 ETOT(band)= -0.230401 trlgG= -0.286791 logG= -0.027016 TDE= -0.170274 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027179 Density= 0.214912 ETOT(band)= -0.232075 trlgG= -0.289408 logG= -0.027179 TDE= -0.170303 logGD-logG0= -0.005001 tlogG= -0.021210 logG= -0.026210 Density= 0.216232 ETOT(band)= -0.230155 trlgG= -0.285844 logG= -0.026210 TDE= -0.169848 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005042 tlogG= -0.021355 logG= -0.026397 Density= 0.216908 ETOT(band)= -0.229291 trlgG= -0.284583 logG= -0.026397 TDE= -0.169942 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.990872989370 eV TrLogG= -407.638008284801 eV Ratio to renormalize= 1.000559009986 rho-rho_expected=-0.012291348702 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964751266987814 0.940605235047492 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028440 Density= 0.106055 ETOT(band)= -0.117229 trlgG= -0.146948 logG= -0.028440 TDE= -0.170989 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004411 tlogG= -0.023980 logG= -0.028390 Density= 0.106107 ETOT(band)= -0.117185 trlgG= -0.146834 logG= -0.028390 TDE= -0.170951 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.022994 logG= -0.027763 logGD-logG0= -0.005071 tlogG= -0.022412 logG= -0.027483 Density= 0.107576 ETOT(band)= -0.116020 trlgG= -0.144593 logG= -0.027483 TDE= -0.170344 Density= 0.106811 ETOT(band)= -0.116550 trlgG= -0.145360 logG= -0.027763 TDE= -0.170453 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023504 logG= -0.028300 Density= 0.106713 ETOT(band)= -0.116873 trlgG= -0.146107 logG= -0.028300 TDE= -0.170614 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002633 tlogG= -0.012034 logG= -0.014667 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073762 logG= -0.014667 TDE= -0.085685 logGD-logG0= -0.002355 tlogG= -0.011886 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058431 trlgG= -0.073342 logG= -0.014242 TDE= -0.085591 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002430 tlogG= -0.010427 logG= -0.012857 Density= 0.054350 ETOT(band)= -0.057098 trlgG= -0.070766 logG= -0.012857 TDE= -0.084804 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002362 tlogG= -0.011450 logG= -0.013812 Density= 0.053707 ETOT(band)= -0.058099 trlgG= -0.072577 logG= -0.013812 TDE= -0.085342 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039098 trlgG= -0.049025 logG= -0.009472 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038595 trlgG= -0.047960 logG= -0.009015 TDE= -0.056672 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 Density= 0.054110 ETOT(band)= -0.058323 trlgG= -0.073622 logG= -0.014574 TDE= -0.085824 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 logGD-logG0= -0.005195 tlogG= -0.023956 logG= -0.029150 Density= 0.108174 ETOT(band)= -0.116671 trlgG= -0.147249 logG= -0.029150 TDE= -0.171628 Density= 0.053555 ETOT(band)= -0.058575 trlgG= -0.073705 logG= -0.014536 TDE= -0.085671 logGD-logG0= -0.005093 tlogG= -0.022461 logG= -0.027555 Density= 0.108146 ETOT(band)= -0.115791 trlgG= -0.144711 logG= -0.027555 TDE= -0.170672 logGD-logG0= -0.005341 tlogG= -0.024075 logG= -0.029416 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107587 ETOT(band)= -0.117126 trlgG= -0.147669 logG= -0.029416 TDE= -0.171492 logGD-logG0= -0.005208 tlogG= -0.023769 logG= -0.028977 logGD-logG0= -0.005162 tlogG= -0.022987 logG= -0.028149 Density= 0.108079 ETOT(band)= -0.116164 trlgG= -0.145659 logG= -0.028149 TDE= -0.170993 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108123 ETOT(band)= -0.116596 trlgG= -0.146971 logG= -0.028977 TDE= -0.171498 logGD-logG0= -0.004683 tlogG= -0.023210 logG= -0.027893 Density= 0.106675 ETOT(band)= -0.116682 trlgG= -0.145624 logG= -0.027893 TDE= -0.170519 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.024050 logG= -0.028658 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106328 ETOT(band)= -0.117216 trlgG= -0.146954 logG= -0.028658 TDE= -0.170913 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002657 tlogG= -0.011991 logG= -0.014648 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053955 ETOT(band)= -0.058445 trlgG= -0.073744 logG= -0.014648 TDE= -0.085796 logGD-logG0= -0.005011 tlogG= -0.022173 logG= -0.027184 Density= 0.108302 ETOT(band)= -0.115484 trlgG= -0.144102 logG= -0.027184 TDE= -0.170511 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023436 logG= -0.028639 Density= 0.108075 ETOT(band)= -0.116434 trlgG= -0.146435 logG= -0.028639 TDE= -0.171277 logGD-logG0= -0.004959 tlogG= -0.021567 logG= -0.026526 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108457 ETOT(band)= -0.114932 trlgG= -0.142971 logG= -0.026526 TDE= -0.170115 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.022738 logG= -0.027827 Density= 0.108192 ETOT(band)= -0.115927 trlgG= -0.145147 logG= -0.027827 TDE= -0.170859 logGD-logG0= -0.005182 tlogG= -0.023877 logG= -0.029059 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005154 tlogG= -0.023221 logG= -0.028375 Density= 0.108194 ETOT(band)= -0.116606 trlgG= -0.147100 logG= -0.029059 TDE= -0.171581 Density= 0.108138 ETOT(band)= -0.116257 trlgG= -0.146015 logG= -0.028375 TDE= -0.171152 logGD-logG0= -0.005062 tlogG= -0.023646 logG= -0.028707 Density= 0.106920 ETOT(band)= -0.116990 trlgG= -0.146451 logG= -0.028707 TDE= -0.170653 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029037 Density= 0.107174 ETOT(band)= -0.117061 trlgG= -0.147001 logG= -0.029037 TDE= -0.171000 logGD-logG0= -0.005347 tlogG= -0.024094 logG= -0.029441 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005380 tlogG= -0.024140 logG= -0.029520 Density= 0.107755 ETOT(band)= -0.117121 trlgG= -0.147857 logG= -0.029520 TDE= -0.171660 logGD-logG0= -0.005374 tlogG= -0.023905 logG= -0.029279 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107832 ETOT(band)= -0.117033 trlgG= -0.147731 logG= -0.029441 TDE= -0.171651 Density= 0.107696 ETOT(band)= -0.116991 trlgG= -0.147452 logG= -0.029279 TDE= -0.171467 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023611 logG= -0.028795 Density= 0.108148 ETOT(band)= -0.116480 trlgG= -0.146679 logG= -0.028795 TDE= -0.171401 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.022854 logG= -0.027776 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107690 ETOT(band)= -0.116149 trlgG= -0.145077 logG= -0.027776 TDE= -0.170591 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.023693 logG= -0.028584 Density= 0.107321 ETOT(band)= -0.116781 trlgG= -0.146548 logG= -0.028584 TDE= -0.171072 logGD-logG0= -0.005291 tlogG= -0.023972 logG= -0.029262 Density= 0.107388 ETOT(band)= -0.117112 trlgG= -0.147396 logG= -0.029262 TDE= -0.171274 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023692 logG= -0.028461 Density= 0.106916 ETOT(band)= -0.116902 trlgG= -0.146642 logG= -0.028461 TDE= -0.171088 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028415 Density= 0.106537 ETOT(band)= -0.117021 trlgG= -0.146539 logG= -0.028415 TDE= -0.170844 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028864 Density= 0.106698 ETOT(band)= -0.117175 trlgG= -0.147065 logG= -0.028864 TDE= -0.171001 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029017 Density= 0.106998 ETOT(band)= -0.117155 trlgG= -0.147318 logG= -0.029017 TDE= -0.171250 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023199 logG= -0.028562 Density= 0.107626 ETOT(band)= -0.116602 trlgG= -0.146300 logG= -0.028562 TDE= -0.170997 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004799 tlogG= -0.022857 logG= -0.027656 logGD-logG0= -0.005055 tlogG= -0.024097 logG= -0.029152 Density= 0.107238 ETOT(band)= -0.116295 trlgG= -0.145206 logG= -0.027656 TDE= -0.170616 Density= 0.107322 ETOT(band)= -0.117092 trlgG= -0.147290 logG= -0.029152 TDE= -0.171246 logGD-logG0= -0.005171 tlogG= -0.022879 logG= -0.028050 Density= 0.107558 ETOT(band)= -0.116354 trlgG= -0.145490 logG= -0.028050 TDE= -0.170666 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023586 logG= -0.028956 Density= 0.107744 ETOT(band)= -0.116763 trlgG= -0.146930 logG= -0.028956 TDE= -0.171291 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009907 tlogG= -0.048255 logG= -0.058161 Density= 0.214287 ETOT(band)= -0.234267 trlgG= -0.294710 logG= -0.058161 TDE= -0.342588 logGD-logG0= -0.009869 tlogG= -0.045601 logG= -0.055470 logGD-logG0= -0.005321 tlogG= -0.024065 logG= -0.029386 Density= 0.107892 ETOT(band)= -0.116965 trlgG= -0.147642 logG= -0.029386 TDE= -0.171646 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009588 tlogG= -0.045770 logG= -0.055358 logGD-logG0= -0.009772 tlogG= -0.047171 logG= -0.056943 logGD-logG0= -0.009233 tlogG= -0.047641 logG= -0.056874 Density= 0.213648 ETOT(band)= -0.233863 trlgG= -0.293136 logG= -0.056943 TDE= -0.341918 Density= 0.214245 ETOT(band)= -0.232775 trlgG= -0.290493 logG= -0.055470 TDE= -0.341042 Density= 0.214901 ETOT(band)= -0.232422 trlgG= -0.290312 logG= -0.055358 TDE= -0.341297 Density= 0.212804 ETOT(band)= -0.234166 trlgG= -0.293211 logG= -0.056874 TDE= -0.341643 logGD-logG0= -0.005332 tlogG= -0.023877 logG= -0.029209 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107860 ETOT(band)= -0.116858 trlgG= -0.147345 logG= -0.029209 TDE= -0.171510 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010053 tlogG= -0.047912 logG= -0.057964 logGD-logG0= -0.009937 tlogG= -0.047162 logG= -0.057099 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213853 ETOT(band)= -0.234306 trlgG= -0.294400 logG= -0.057964 TDE= -0.342261 Density= 0.213660 ETOT(band)= -0.233906 trlgG= -0.292927 logG= -0.057099 TDE= -0.341558 logGD-logG0= -0.009665 tlogG= -0.047938 logG= -0.057603 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213154 ETOT(band)= -0.234373 trlgG= -0.293855 logG= -0.057603 TDE= -0.341731 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010629 tlogG= -0.047757 logG= -0.058386 Density= 0.214645 ETOT(band)= -0.234188 trlgG= -0.294545 logG= -0.058386 TDE= -0.342376 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009544 tlogG= -0.047458 logG= -0.057002 Density= 0.214195 ETOT(band)= -0.233691 trlgG= -0.293264 logG= -0.057002 TDE= -0.342256 logGD-logG0= -0.010494 tlogG= -0.047797 logG= -0.058290 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214543 ETOT(band)= -0.234183 trlgG= -0.294376 logG= -0.058290 TDE= -0.342253 logGD-logG0= -0.009974 tlogG= -0.045658 logG= -0.055632 Density= 0.215034 ETOT(band)= -0.232497 trlgG= -0.290302 logG= -0.055632 TDE= -0.341079 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.048091 logG= -0.058675 logGD-logG0= -0.010666 tlogG= -0.048024 logG= -0.058690 Density= 0.214960 ETOT(band)= -0.234241 trlgG= -0.295055 logG= -0.058675 TDE= -0.342753 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010176 tlogG= -0.048039 logG= -0.058216 Density= 0.214418 ETOT(band)= -0.234213 trlgG= -0.294457 logG= -0.058216 TDE= -0.342346 Density= 0.214996 ETOT(band)= -0.234232 trlgG= -0.295082 logG= -0.058690 TDE= -0.342783 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010730 tlogG= -0.046886 logG= -0.057616 Density= 0.215318 ETOT(band)= -0.233449 trlgG= -0.293381 logG= -0.057616 TDE= -0.342315 logGD-logG0= -0.010715 tlogG= -0.047542 logG= -0.058257 Density= 0.215590 ETOT(band)= -0.233684 trlgG= -0.294421 logG= -0.058257 TDE= -0.342849 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 logGD-logG0= -0.010433 tlogG= -0.047989 logG= -0.058421 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214962 ETOT(band)= -0.234096 trlgG= -0.294638 logG= -0.058421 TDE= -0.342591 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047955 logG= -0.058595 Density= 0.215787 ETOT(band)= -0.233800 trlgG= -0.294983 logG= -0.058595 TDE= -0.343170 logGD-logG0= -0.010296 tlogG= -0.047669 logG= -0.057965 Density= 0.036177 ETOT(band)= -0.038144 trlgG= -0.047297 logG= -0.008635 TDE= -0.056564 Density= 0.213834 ETOT(band)= -0.234293 trlgG= -0.294152 logG= -0.057965 TDE= -0.342003 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046420 logG= -0.056710 Density= 0.215102 ETOT(band)= -0.233059 trlgG= -0.291937 logG= -0.056710 TDE= -0.341671 logGD-logG0= -0.010524 tlogG= -0.047316 logG= -0.057839 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214147 ETOT(band)= -0.234084 trlgG= -0.293627 logG= -0.057839 TDE= -0.341758 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010779 tlogG= -0.048154 logG= -0.058933 logGD-logG0= -0.010688 tlogG= -0.047429 logG= -0.058117 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010695 tlogG= -0.047904 logG= -0.058599 Density= 0.215357 ETOT(band)= -0.233726 trlgG= -0.294183 logG= -0.058117 TDE= -0.342635 Density= 0.215313 ETOT(band)= -0.234257 trlgG= -0.295518 logG= -0.058933 TDE= -0.343133 Density= 0.215658 ETOT(band)= -0.233874 trlgG= -0.294986 logG= -0.058599 TDE= -0.343106 logGD-logG0= -0.009900 tlogG= -0.047235 logG= -0.057134 Density= 0.214362 ETOT(band)= -0.233651 trlgG= -0.293035 logG= -0.057134 TDE= -0.341978 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002491 tlogG= -0.010843 logG= -0.013334 Density= 0.054034 ETOT(band)= -0.057618 trlgG= -0.071615 logG= -0.013334 TDE= -0.085020 logGD-logG0= -0.010201 tlogG= -0.047161 logG= -0.057362 Density= 0.215038 ETOT(band)= -0.233461 trlgG= -0.292956 logG= -0.057362 TDE= -0.342006 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.021878 logG= -0.026924 Density= 0.108267 ETOT(band)= -0.115300 trlgG= -0.143652 logG= -0.026924 TDE= -0.170304 logGD-logG0= -0.004877 tlogG= -0.020992 logG= -0.025869 Density= 0.108654 ETOT(band)= -0.114344 trlgG= -0.141813 logG= -0.025869 TDE= -0.169711 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005126 tlogG= -0.021822 logG= -0.026948 Density= 0.107730 ETOT(band)= -0.115591 trlgG= -0.143716 logG= -0.026948 TDE= -0.170079 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005066 tlogG= -0.021699 logG= -0.026765 Density= 0.107873 ETOT(band)= -0.115398 trlgG= -0.143406 logG= -0.026765 TDE= -0.170022 logGD-logG0= -0.010126 tlogG= -0.043398 logG= -0.053524 Density= 0.216163 ETOT(band)= -0.230583 trlgG= -0.286786 logG= -0.053524 TDE= -0.340230 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028495 Density= 0.212048 ETOT(band)= -0.234508 trlgG= -0.294019 logG= -0.028495 TDE= -0.171028 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023894 logG= -0.028555 Density= 0.213162 ETOT(band)= -0.233989 trlgG= -0.292818 logG= -0.028555 TDE= -0.170832 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022909 logG= -0.027932 Density= 0.214680 ETOT(band)= -0.232521 trlgG= -0.290005 logG= -0.027932 TDE= -0.170480 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001291 tlogG= -0.005940 logG= -0.007231 Density= 0.080790 ETOT(band)= -0.087691 trlgG= -0.110482 logG= -0.007231 TDE= -0.042878 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023591 logG= -0.028137 Density= 0.212496 ETOT(band)= -0.234125 trlgG= -0.293068 logG= -0.028137 TDE= -0.170744 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081516 ETOT(band)= -0.085728 trlgG= -0.106322 logG= -0.006526 TDE= -0.042473 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007020 Density= 0.080593 ETOT(band)= -0.087442 trlgG= -0.109730 logG= -0.007020 TDE= -0.042758 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009180 Density= 0.071457 ETOT(band)= -0.077388 trlgG= -0.096261 logG= -0.009180 TDE= -0.056754 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005620 logG= -0.006871 Density= 0.080794 ETOT(band)= -0.087012 trlgG= -0.108725 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087593 trlgG= -0.110534 logG= -0.007274 TDE= -0.042908 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007967 logG= -0.009419 Density= 0.070825 ETOT(band)= -0.077993 trlgG= -0.097563 logG= -0.009419 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024008 logG= -0.029285 Density= 0.215576 ETOT(band)= -0.233974 trlgG= -0.295142 logG= -0.029285 TDE= -0.171627 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022297 logG= -0.027298 Density= 0.214141 ETOT(band)= -0.232564 trlgG= -0.289762 logG= -0.027298 TDE= -0.170216 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087657 trlgG= -0.110285 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004490 tlogG= -0.023745 logG= -0.028235 Density= 0.212965 ETOT(band)= -0.233715 trlgG= -0.292090 logG= -0.028235 TDE= -0.170829 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001200 tlogG= -0.005172 logG= -0.006371 Density= 0.062506 ETOT(band)= -0.067581 trlgG= -0.084301 logG= -0.006371 TDE= -0.042371 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008473 Density= 0.040827 ETOT(band)= -0.042693 trlgG= -0.052853 logG= -0.008473 TDE= -0.056478 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005241 tlogG= -0.024006 logG= -0.029246 Density= 0.216247 ETOT(band)= -0.233453 trlgG= -0.294659 logG= -0.029246 TDE= -0.171644 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023485 logG= -0.028793 Density= 0.215102 ETOT(band)= -0.233447 trlgG= -0.293223 logG= -0.028793 TDE= -0.171217 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023806 logG= -0.029117 Density= 0.215223 ETOT(band)= -0.233881 trlgG= -0.294486 logG= -0.029117 TDE= -0.171474 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024011 logG= -0.028839 Density= 0.321394 ETOT(band)= -0.351293 trlgG= -0.441821 logG= -0.028839 TDE= -0.171274 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.021883 logG= -0.027016 Density= 0.216514 ETOT(band)= -0.230399 trlgG= -0.286789 logG= -0.027016 TDE= -0.170273 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005371 tlogG= -0.024129 logG= -0.029500 Density= 0.215609 ETOT(band)= -0.234131 trlgG= -0.295558 logG= -0.029500 TDE= -0.171660 logGD-logG0= -0.005233 tlogG= -0.022973 logG= -0.028206 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216113 ETOT(band)= -0.232198 trlgG= -0.290897 logG= -0.028206 TDE= -0.170949 logGD-logG0= -0.004636 tlogG= -0.023977 logG= -0.028612 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212688 ETOT(band)= -0.234402 trlgG= -0.293815 logG= -0.028612 TDE= -0.170880 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023962 logG= -0.029096 Density= 0.214226 ETOT(band)= -0.234218 trlgG= -0.294235 logG= -0.029096 TDE= -0.171112 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.023962 logG= -0.029196 Density= 0.216281 ETOT(band)= -0.233349 trlgG= -0.294426 logG= -0.029196 TDE= -0.171617 logGD-logG0= -0.005261 tlogG= -0.023421 logG= -0.028681 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216087 ETOT(band)= -0.232772 trlgG= -0.292514 logG= -0.028681 TDE= -0.171237 logGD-logG0= -0.005131 tlogG= -0.023849 logG= -0.028980 logGD-logG0= -0.005172 tlogG= -0.022443 logG= -0.027615 Density= 0.216257 ETOT(band)= -0.231399 trlgG= -0.288909 logG= -0.027615 TDE= -0.170614 Density= 0.215385 ETOT(band)= -0.233877 trlgG= -0.294591 logG= -0.028980 TDE= -0.171163 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010511 tlogG= -0.047798 logG= -0.058309 Density= 0.324187 ETOT(band)= -0.350085 trlgG= -0.441488 logG= -0.058309 TDE= -0.343128 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023885 logG= -0.028861 Density= 0.213672 ETOT(band)= -0.234134 trlgG= -0.293329 logG= -0.028861 TDE= -0.170842 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 Density= 0.072192 ETOT(band)= -0.076517 trlgG= -0.094942 logG= -0.008829 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.022478 logG= -0.027449 logGD-logG0= -0.005306 tlogG= -0.024088 logG= -0.029393 Density= 0.214905 ETOT(band)= -0.231784 trlgG= -0.288358 logG= -0.027449 TDE= -0.170229 Density= 0.322896 ETOT(band)= -0.351372 trlgG= -0.443148 logG= -0.029393 TDE= -0.171474 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010801 tlogG= -0.048051 logG= -0.058851 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023768 logG= -0.029021 Density= 0.216169 ETOT(band)= -0.233151 trlgG= -0.293722 logG= -0.029021 TDE= -0.171476 Density= 0.323082 ETOT(band)= -0.351163 trlgG= -0.442843 logG= -0.058851 TDE= -0.343123 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.024167 logG= -0.029267 logGD-logG0= -0.004738 tlogG= -0.023372 logG= -0.028111 Density= 0.321461 ETOT(band)= -0.350244 trlgG= -0.439242 logG= -0.028111 TDE= -0.170949 Density= 0.322273 ETOT(band)= -0.351402 trlgG= -0.442497 logG= -0.029267 TDE= -0.171280 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.024162 logG= -0.029236 Density= 0.214629 ETOT(band)= -0.234289 trlgG= -0.294848 logG= -0.029236 TDE= -0.171285 logGD-logG0= -0.010286 tlogG= -0.045636 logG= -0.055922 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024012 logG= -0.028808 Density= 0.323875 ETOT(band)= -0.348119 trlgG= -0.435432 logG= -0.055922 TDE= -0.341552 Density= 0.214005 ETOT(band)= -0.234210 trlgG= -0.294453 logG= -0.028808 TDE= -0.171279 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.046425 logG= -0.056981 Density= 0.323830 ETOT(band)= -0.349063 trlgG= -0.438053 logG= -0.056981 TDE= -0.342177 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046614 logG= -0.056406 Density= 0.322533 ETOT(band)= -0.349193 trlgG= -0.436875 logG= -0.056406 TDE= -0.341706 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023842 logG= -0.028733 Density= 0.213456 ETOT(band)= -0.234275 trlgG= -0.294067 logG= -0.028733 TDE= -0.171098 logGD-logG0= -0.010557 tlogG= -0.047247 logG= -0.057804 logGD-logG0= -0.005085 tlogG= -0.023248 logG= -0.028333 logGD-logG0= -0.004838 tlogG= -0.023250 logG= -0.028088 Density= 0.213379 ETOT(band)= -0.233742 trlgG= -0.292549 logG= -0.028088 TDE= -0.170794 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.023964 logG= -0.029368 Density= 0.321531 ETOT(band)= -0.350750 trlgG= -0.440094 logG= -0.028333 TDE= -0.170903 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023691 logG= -0.029158 Density= 0.215297 ETOT(band)= -0.233729 trlgG= -0.294171 logG= -0.029158 TDE= -0.171306 Density= 0.323968 ETOT(band)= -0.349718 trlgG= -0.440140 logG= -0.057804 TDE= -0.342735 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323497 ETOT(band)= -0.350833 trlgG= -0.442583 logG= -0.029368 TDE= -0.171532 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023376 logG= -0.028082 logGD-logG0= -0.009074 tlogG= -0.048105 logG= -0.057179 Density= 0.214066 ETOT(band)= -0.233497 trlgG= -0.292658 logG= -0.028082 TDE= -0.170957 Density= 0.425292 ETOT(band)= -0.468603 trlgG= -0.587117 logG= -0.057179 TDE= -0.341877 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.046722 logG= -0.056283 logGD-logG0= -0.005493 tlogG= -0.023357 logG= -0.028850 Density= 0.427654 ETOT(band)= -0.466379 trlgG= -0.582487 logG= -0.056283 TDE= -0.341318 Density= 0.214994 ETOT(band)= -0.233473 trlgG= -0.293032 logG= -0.028850 TDE= -0.171012 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009752 tlogG= -0.047850 logG= -0.057602 Density= 0.427806 ETOT(band)= -0.468405 trlgG= -0.588492 logG= -0.057602 TDE= -0.342364 logGD-logG0= -0.005043 tlogG= -0.021354 logG= -0.026397 Density= 0.216907 ETOT(band)= -0.229290 trlgG= -0.284581 logG= -0.026397 TDE= -0.169941 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010425 tlogG= -0.047967 logG= -0.058391 logGD-logG0= -0.010256 tlogG= -0.048159 logG= -0.058414 Density= 0.428978 ETOT(band)= -0.468473 trlgG= -0.588907 logG= -0.058391 TDE= -0.342252 Density= 0.429075 ETOT(band)= -0.468511 trlgG= -0.589258 logG= -0.058414 TDE= -0.342410 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046618 logG= -0.056230 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427861 ETOT(band)= -0.467101 trlgG= -0.585095 logG= -0.056230 TDE= -0.341732 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.021304 logG= -0.026264 logGD-logG0= -0.010769 tlogG= -0.047737 logG= -0.058505 logGD-logG0= -0.010389 tlogG= -0.048231 logG= -0.058620 Density= 0.429814 ETOT(band)= -0.468513 trlgG= -0.590027 logG= -0.058620 TDE= -0.342627 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162565 ETOT(band)= -0.173070 trlgG= -0.216144 logG= -0.026264 TDE= -0.169927 Density= 0.430529 ETOT(band)= -0.467762 trlgG= -0.588979 logG= -0.058505 TDE= -0.342769 logGD-logG0= -0.010368 tlogG= -0.047678 logG= -0.058046 Density= 0.428062 ETOT(band)= -0.468387 trlgG= -0.587822 logG= -0.058046 TDE= -0.342005 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009928 tlogG= -0.047863 logG= -0.057791 logGD-logG0= -0.010864 tlogG= -0.047706 logG= -0.058571 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009766 tlogG= -0.047657 logG= -0.057423 Density= 0.430871 ETOT(band)= -0.467704 trlgG= -0.589336 logG= -0.058571 TDE= -0.342875 Density= 0.428908 ETOT(band)= -0.468176 trlgG= -0.588457 logG= -0.057791 TDE= -0.342349 Density= 0.426435 ETOT(band)= -0.468624 trlgG= -0.587633 logG= -0.057423 TDE= -0.341896 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047776 logG= -0.057496 Density= 0.426941 ETOT(band)= -0.468171 trlgG= -0.586480 logG= -0.057496 TDE= -0.341598 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023905 logG= -0.029324 Density= 0.215536 ETOT(band)= -0.233876 trlgG= -0.294868 logG= -0.029324 TDE= -0.171483 logGD-logG0= -0.010042 tlogG= -0.046410 logG= -0.056452 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429299 ETOT(band)= -0.465801 trlgG= -0.582152 logG= -0.056452 TDE= -0.341427 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048079 logG= -0.058679 logGD-logG0= -0.010789 tlogG= -0.048032 logG= -0.058821 Density= 0.431113 ETOT(band)= -0.467986 trlgG= -0.590330 logG= -0.058821 TDE= -0.343140 logGD-logG0= -0.010428 tlogG= -0.046939 logG= -0.057367 Density= 0.429652 ETOT(band)= -0.466715 trlgG= -0.584853 logG= -0.057367 TDE= -0.341719 Density= 0.429920 ETOT(band)= -0.468343 trlgG= -0.589698 logG= -0.058679 TDE= -0.342753 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047570 logG= -0.057678 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428377 ETOT(band)= -0.467730 trlgG= -0.586857 logG= -0.057678 TDE= -0.342049 logGD-logG0= -0.005001 tlogG= -0.021209 logG= -0.026210 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216231 ETOT(band)= -0.230153 trlgG= -0.285842 logG= -0.026210 TDE= -0.169847 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010827 tlogG= -0.047276 logG= -0.058103 Density= 0.430257 ETOT(band)= -0.467338 trlgG= -0.587506 logG= -0.058103 TDE= -0.342384 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.047579 logG= -0.057931 Density= 0.429784 ETOT(band)= -0.467362 trlgG= -0.586785 logG= -0.057931 TDE= -0.342165 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023197 logG= -0.028424 Density= 0.214753 ETOT(band)= -0.233075 trlgG= -0.291537 logG= -0.028424 TDE= -0.170668 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022332 logG= -0.027220 Density= 0.322698 ETOT(band)= -0.348161 trlgG= -0.434484 logG= -0.027220 TDE= -0.170296 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 logGD-logG0= -0.010075 tlogG= -0.044629 logG= -0.054704 Density= 0.081157 ETOT(band)= -0.086397 trlgG= -0.107484 logG= -0.006707 TDE= -0.042584 Density= 0.324116 ETOT(band)= -0.346848 trlgG= -0.432416 logG= -0.054704 TDE= -0.340873 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022331 logG= -0.027179 Density= 0.214911 ETOT(band)= -0.232073 trlgG= -0.289405 logG= -0.027179 TDE= -0.170302 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009923 tlogG= -0.044634 logG= -0.054557 Density= 0.431377 ETOT(band)= -0.462317 trlgG= -0.575355 logG= -0.054557 TDE= -0.340512 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.988321448659 eV TrLogG= -407.633928035899 eV Ratio to renormalize= 1.000561125546 rho-rho_expected=-0.012337838935 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964740865570981 0.940592799900859 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002633 tlogG= -0.012035 logG= -0.014668 Density= 0.053735 ETOT(band)= -0.058563 trlgG= -0.073763 logG= -0.014668 TDE= -0.085686 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002451 tlogG= -0.012085 logG= -0.014536 Density= 0.053556 ETOT(band)= -0.058576 trlgG= -0.073706 logG= -0.014536 TDE= -0.085672 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.011987 logG= -0.014574 Density= 0.054111 ETOT(band)= -0.058324 trlgG= -0.073623 logG= -0.014574 TDE= -0.085826 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023878 logG= -0.029210 Density= 0.107861 ETOT(band)= -0.116860 trlgG= -0.147348 logG= -0.029210 TDE= -0.171513 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009234 tlogG= -0.047642 logG= -0.056876 Density= 0.212806 ETOT(band)= -0.234169 trlgG= -0.293215 logG= -0.056876 TDE= -0.341646 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009938 tlogG= -0.047163 logG= -0.057101 Density= 0.213662 ETOT(band)= -0.233910 trlgG= -0.292933 logG= -0.057101 TDE= -0.341563 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009666 tlogG= -0.047939 logG= -0.057605 Density= 0.213156 ETOT(band)= -0.234377 trlgG= -0.293861 logG= -0.057605 TDE= -0.341736 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.021880 logG= -0.026925 Density= 0.108267 ETOT(band)= -0.115302 trlgG= -0.143655 logG= -0.026925 TDE= -0.170307 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002355 tlogG= -0.011887 logG= -0.014242 Density= 0.053532 ETOT(band)= -0.058432 trlgG= -0.073344 logG= -0.014242 TDE= -0.085592 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002362 tlogG= -0.011451 logG= -0.013812 Density= 0.053708 ETOT(band)= -0.058100 trlgG= -0.072578 logG= -0.013812 TDE= -0.085343 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000198 tlogG= -0.000853 logG= -0.001051 logGD-logG0= -0.004608 tlogG= -0.024051 logG= -0.028659 logGD-logG0= -0.005010 tlogG= -0.022174 logG= -0.027185 Density= 0.108303 ETOT(band)= -0.115486 trlgG= -0.144105 logG= -0.027185 TDE= -0.170514 Density= 0.004541 ETOT(band)= -0.004735 trlgG= -0.005858 logG= -0.001051 TDE= -0.007055 Density= 0.106328 ETOT(band)= -0.117217 trlgG= -0.146957 logG= -0.028659 TDE= -0.170914 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023222 logG= -0.028376 Density= 0.108139 ETOT(band)= -0.116259 trlgG= -0.146018 logG= -0.028376 TDE= -0.171155 logGD-logG0= -0.005062 tlogG= -0.023646 logG= -0.028708 Density= 0.106920 ETOT(band)= -0.116992 trlgG= -0.146454 logG= -0.028708 TDE= -0.170656 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001506 tlogG= -0.007813 logG= -0.009319 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035472 ETOT(band)= -0.038946 trlgG= -0.048660 logG= -0.009319 TDE= -0.056894 logGD-logG0= -0.004769 tlogG= -0.023693 logG= -0.028462 Density= 0.106917 ETOT(band)= -0.116904 trlgG= -0.146644 logG= -0.028462 TDE= -0.171090 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.022880 logG= -0.028051 logGD-logG0= -0.001426 tlogG= -0.008046 logG= -0.009472 Density= 0.035292 ETOT(band)= -0.039099 trlgG= -0.049026 logG= -0.009472 TDE= -0.057018 Density= 0.107559 ETOT(band)= -0.116355 trlgG= -0.145493 logG= -0.028051 TDE= -0.170668 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023437 logG= -0.028640 Density= 0.108076 ETOT(band)= -0.116436 trlgG= -0.146438 logG= -0.028640 TDE= -0.171279 logGD-logG0= -0.005161 tlogG= -0.022988 logG= -0.028150 logGD-logG0= -0.004384 tlogG= -0.024057 logG= -0.028441 Density= 0.108079 ETOT(band)= -0.116166 trlgG= -0.145662 logG= -0.028150 TDE= -0.170996 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106056 ETOT(band)= -0.117231 trlgG= -0.146950 logG= -0.028441 TDE= -0.170991 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.024076 logG= -0.029417 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107587 ETOT(band)= -0.117128 trlgG= -0.147672 logG= -0.029417 TDE= -0.171494 logGD-logG0= -0.005207 tlogG= -0.023771 logG= -0.028978 logGD-logG0= -0.004411 tlogG= -0.023980 logG= -0.028391 Density= 0.108123 ETOT(band)= -0.116598 trlgG= -0.146974 logG= -0.028978 TDE= -0.171501 Density= 0.106108 ETOT(band)= -0.117186 trlgG= -0.146837 logG= -0.028391 TDE= -0.170953 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.022463 logG= -0.027556 logGD-logG0= -0.005194 tlogG= -0.023957 logG= -0.029151 Density= 0.108175 ETOT(band)= -0.116672 trlgG= -0.147252 logG= -0.029151 TDE= -0.171631 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108147 ETOT(band)= -0.115792 trlgG= -0.144714 logG= -0.027556 TDE= -0.170675 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004683 tlogG= -0.023211 logG= -0.027894 Density= 0.106676 ETOT(band)= -0.116684 trlgG= -0.145626 logG= -0.027894 TDE= -0.170521 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002656 tlogG= -0.011992 logG= -0.014648 Density= 0.053956 ETOT(band)= -0.058446 trlgG= -0.073746 logG= -0.014648 TDE= -0.085798 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.022855 logG= -0.027777 logGD-logG0= -0.005181 tlogG= -0.023878 logG= -0.029060 logGD-logG0= -0.005346 tlogG= -0.024095 logG= -0.029441 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107690 ETOT(band)= -0.116150 trlgG= -0.145080 logG= -0.027777 TDE= -0.170594 Density= 0.107833 ETOT(band)= -0.117034 trlgG= -0.147734 logG= -0.029441 TDE= -0.171654 logGD-logG0= -0.005184 tlogG= -0.023612 logG= -0.028796 Density= 0.108149 ETOT(band)= -0.116482 trlgG= -0.146682 logG= -0.028796 TDE= -0.171403 Density= 0.108195 ETOT(band)= -0.116608 trlgG= -0.147103 logG= -0.029060 TDE= -0.171583 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023973 logG= -0.029263 Density= 0.107388 ETOT(band)= -0.117114 trlgG= -0.147399 logG= -0.029263 TDE= -0.171277 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.023689 logG= -0.029038 Density= 0.107175 ETOT(band)= -0.117063 trlgG= -0.147004 logG= -0.029038 TDE= -0.171002 logGD-logG0= -0.005089 tlogG= -0.022739 logG= -0.027828 Density= 0.108193 ETOT(band)= -0.115929 trlgG= -0.145150 logG= -0.027828 TDE= -0.170861 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.022995 logG= -0.027764 Density= 0.106812 ETOT(band)= -0.116552 trlgG= -0.145363 logG= -0.027764 TDE= -0.170455 logGD-logG0= -0.004891 tlogG= -0.023694 logG= -0.028584 logGD-logG0= -0.005071 tlogG= -0.022413 logG= -0.027484 Density= 0.107577 ETOT(band)= -0.116022 trlgG= -0.144596 logG= -0.027484 TDE= -0.170346 Density= 0.107321 ETOT(band)= -0.116783 trlgG= -0.146551 logG= -0.028584 TDE= -0.171074 logGD-logG0= -0.005379 tlogG= -0.024141 logG= -0.029521 logGD-logG0= -0.004742 tlogG= -0.023673 logG= -0.028416 Density= 0.106538 ETOT(band)= -0.117022 trlgG= -0.146541 logG= -0.028416 TDE= -0.170846 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107756 ETOT(band)= -0.117123 trlgG= -0.147860 logG= -0.029521 TDE= -0.171662 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.023896 logG= -0.028865 Density= 0.106699 ETOT(band)= -0.117176 trlgG= -0.147068 logG= -0.028865 TDE= -0.171003 logGD-logG0= -0.005055 tlogG= -0.024098 logG= -0.029153 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107323 ETOT(band)= -0.117093 trlgG= -0.147293 logG= -0.029153 TDE= -0.171248 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023505 logG= -0.028301 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106714 ETOT(band)= -0.116875 trlgG= -0.146110 logG= -0.028301 TDE= -0.170616 logGD-logG0= -0.005374 tlogG= -0.023906 logG= -0.029280 Density= 0.107697 ETOT(band)= -0.116993 trlgG= -0.147455 logG= -0.029280 TDE= -0.171469 logGD-logG0= -0.004942 tlogG= -0.024075 logG= -0.029018 Density= 0.106999 ETOT(band)= -0.117156 trlgG= -0.147321 logG= -0.029018 TDE= -0.171252 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023200 logG= -0.028563 logGD-logG0= -0.004799 tlogG= -0.022858 logG= -0.027657 Density= 0.107238 ETOT(band)= -0.116297 trlgG= -0.145209 logG= -0.027657 TDE= -0.170619 Density= 0.107627 ETOT(band)= -0.116603 trlgG= -0.146303 logG= -0.028563 TDE= -0.170999 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005370 tlogG= -0.023587 logG= -0.028957 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107745 ETOT(band)= -0.116764 trlgG= -0.146933 logG= -0.028957 TDE= -0.171293 logGD-logG0= -0.009869 tlogG= -0.045603 logG= -0.055471 logGD-logG0= -0.005321 tlogG= -0.024066 logG= -0.029387 logGD-logG0= -0.009588 tlogG= -0.045772 logG= -0.055360 Density= 0.214246 ETOT(band)= -0.232779 trlgG= -0.290498 logG= -0.055471 TDE= -0.341047 Density= 0.214902 ETOT(band)= -0.232426 trlgG= -0.290317 logG= -0.055360 TDE= -0.341301 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107892 ETOT(band)= -0.116967 trlgG= -0.147645 logG= -0.029387 TDE= -0.171648 logGD-logG0= -0.002430 tlogG= -0.010428 logG= -0.012858 Density= 0.054350 ETOT(band)= -0.057099 trlgG= -0.070768 logG= -0.012858 TDE= -0.084805 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009906 tlogG= -0.048256 logG= -0.058163 Density= 0.214289 ETOT(band)= -0.234270 trlgG= -0.294715 logG= -0.058163 TDE= -0.342593 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009772 tlogG= -0.047173 logG= -0.056944 Density= 0.213650 ETOT(band)= -0.233866 trlgG= -0.293142 logG= -0.056944 TDE= -0.341922 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010629 tlogG= -0.047759 logG= -0.058387 Density= 0.214646 ETOT(band)= -0.234192 trlgG= -0.294551 logG= -0.058387 TDE= -0.342381 logGD-logG0= -0.010666 tlogG= -0.048026 logG= -0.058691 Density= 0.214998 ETOT(band)= -0.234236 trlgG= -0.295088 logG= -0.058691 TDE= -0.342788 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010052 tlogG= -0.047914 logG= -0.057966 Density= 0.213855 ETOT(band)= -0.234310 trlgG= -0.294405 logG= -0.057966 TDE= -0.342265 logGD-logG0= -0.010433 tlogG= -0.047990 logG= -0.058423 logGD-logG0= -0.010493 tlogG= -0.047798 logG= -0.058292 Density= 0.214545 ETOT(band)= -0.234186 trlgG= -0.294382 logG= -0.058292 TDE= -0.342258 Density= 0.214963 ETOT(band)= -0.234100 trlgG= -0.294644 logG= -0.058423 TDE= -0.342596 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.048093 logG= -0.058676 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009974 tlogG= -0.045660 logG= -0.055634 Density= 0.214961 ETOT(band)= -0.234244 trlgG= -0.295060 logG= -0.058676 TDE= -0.342758 Density= 0.215035 ETOT(band)= -0.232501 trlgG= -0.290308 logG= -0.055634 TDE= -0.341084 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002491 tlogG= -0.010844 logG= -0.013334 Density= 0.054035 ETOT(band)= -0.057618 trlgG= -0.071617 logG= -0.013334 TDE= -0.085021 logGD-logG0= -0.010714 tlogG= -0.047544 logG= -0.058258 Density= 0.215592 ETOT(band)= -0.233688 trlgG= -0.294427 logG= -0.058258 TDE= -0.342854 logGD-logG0= -0.010176 tlogG= -0.048041 logG= -0.058217 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214420 ETOT(band)= -0.234216 trlgG= -0.294462 logG= -0.058217 TDE= -0.342351 logGD-logG0= -0.010296 tlogG= -0.047671 logG= -0.057967 Density= 0.213836 ETOT(band)= -0.234297 trlgG= -0.294157 logG= -0.057967 TDE= -0.342007 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.047957 logG= -0.058597 logGD-logG0= -0.010730 tlogG= -0.046888 logG= -0.057618 Density= 0.215320 ETOT(band)= -0.233452 trlgG= -0.293387 logG= -0.057618 TDE= -0.342320 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215789 ETOT(band)= -0.233804 trlgG= -0.294989 logG= -0.058597 TDE= -0.343175 logGD-logG0= -0.001642 tlogG= -0.006993 logG= -0.008635 Density= 0.036177 ETOT(band)= -0.038145 trlgG= -0.047298 logG= -0.008635 TDE= -0.056565 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010779 tlogG= -0.048156 logG= -0.058935 logGD-logG0= -0.010688 tlogG= -0.047430 logG= -0.058118 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215315 ETOT(band)= -0.234260 trlgG= -0.295524 logG= -0.058935 TDE= -0.343138 Density= 0.215359 ETOT(band)= -0.233730 trlgG= -0.294188 logG= -0.058118 TDE= -0.342640 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010289 tlogG= -0.046422 logG= -0.056711 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215103 ETOT(band)= -0.233063 trlgG= -0.291943 logG= -0.056711 TDE= -0.341676 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009544 tlogG= -0.047460 logG= -0.057004 logGD-logG0= -0.009899 tlogG= -0.047237 logG= -0.057136 Density= 0.214196 ETOT(band)= -0.233694 trlgG= -0.293269 logG= -0.057004 TDE= -0.342260 Density= 0.214363 ETOT(band)= -0.233654 trlgG= -0.293041 logG= -0.057136 TDE= -0.341982 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010694 tlogG= -0.047906 logG= -0.058600 Density= 0.215660 ETOT(band)= -0.233877 trlgG= -0.294992 logG= -0.058600 TDE= -0.343111 logGD-logG0= -0.010524 tlogG= -0.047317 logG= -0.057841 Density= 0.214149 ETOT(band)= -0.234088 trlgG= -0.293633 logG= -0.057841 TDE= -0.341763 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.047163 logG= -0.057364 Density= 0.215040 ETOT(band)= -0.233465 trlgG= -0.292962 logG= -0.057364 TDE= -0.342011 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021569 logG= -0.026527 Density= 0.108458 ETOT(band)= -0.114934 trlgG= -0.142974 logG= -0.026527 TDE= -0.170117 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005126 tlogG= -0.021823 logG= -0.026949 Density= 0.107731 ETOT(band)= -0.115593 trlgG= -0.143719 logG= -0.026949 TDE= -0.170081 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001709 tlogG= -0.007306 logG= -0.009015 Density= 0.035824 ETOT(band)= -0.038596 trlgG= -0.047961 logG= -0.009015 TDE= -0.056673 logGD-logG0= -0.010126 tlogG= -0.043400 logG= -0.053525 Density= 0.216164 ETOT(band)= -0.230587 trlgG= -0.286792 logG= -0.053525 TDE= -0.340235 logGD-logG0= -0.005066 tlogG= -0.021700 logG= -0.026766 Density= 0.107874 ETOT(band)= -0.115400 trlgG= -0.143409 logG= -0.026766 TDE= -0.170025 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004877 tlogG= -0.020993 logG= -0.025870 Density= 0.108654 ETOT(band)= -0.114346 trlgG= -0.141816 logG= -0.025870 TDE= -0.169713 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001290 tlogG= -0.005941 logG= -0.007231 Density= 0.080791 ETOT(band)= -0.087693 trlgG= -0.110484 logG= -0.007231 TDE= -0.042879 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001286 tlogG= -0.005857 logG= -0.007143 Density= 0.080606 ETOT(band)= -0.087659 trlgG= -0.110287 logG= -0.007143 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005418 tlogG= -0.023906 logG= -0.029325 Density= 0.215537 ETOT(band)= -0.233880 trlgG= -0.294874 logG= -0.029325 TDE= -0.171486 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021306 logG= -0.026265 Density= 0.162566 ETOT(band)= -0.173073 trlgG= -0.216149 logG= -0.026265 TDE= -0.169930 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009720 tlogG= -0.047778 logG= -0.057498 Density= 0.426944 ETOT(band)= -0.468178 trlgG= -0.586491 logG= -0.057498 TDE= -0.341602 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009074 tlogG= -0.048107 logG= -0.057181 Density= 0.425295 ETOT(band)= -0.468610 trlgG= -0.587127 logG= -0.057181 TDE= -0.341881 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009767 tlogG= -0.047658 logG= -0.057425 Density= 0.426438 ETOT(band)= -0.468631 trlgG= -0.587644 logG= -0.057425 TDE= -0.341901 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010075 tlogG= -0.044631 logG= -0.054706 Density= 0.324118 ETOT(band)= -0.346853 trlgG= -0.432426 logG= -0.054706 TDE= -0.340878 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005621 logG= -0.006871 logGD-logG0= -0.001271 tlogG= -0.005749 logG= -0.007021 Density= 0.080593 ETOT(band)= -0.087443 trlgG= -0.109732 logG= -0.007021 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080795 ETOT(band)= -0.087014 trlgG= -0.108727 logG= -0.006871 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.022444 logG= -0.027616 Density= 0.216258 ETOT(band)= -0.231403 trlgG= -0.288916 logG= -0.027616 TDE= -0.170616 logGD-logG0= -0.004636 tlogG= -0.023977 logG= -0.028613 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212689 ETOT(band)= -0.234405 trlgG= -0.293819 logG= -0.028613 TDE= -0.170882 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.023422 logG= -0.028682 Density= 0.216089 ETOT(band)= -0.232775 trlgG= -0.292520 logG= -0.028682 TDE= -0.171239 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.023886 logG= -0.028862 Density= 0.213673 ETOT(band)= -0.234138 trlgG= -0.293335 logG= -0.028862 TDE= -0.170845 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007968 logG= -0.009420 Density= 0.070826 ETOT(band)= -0.077995 trlgG= -0.097565 logG= -0.009420 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023377 logG= -0.028083 Density= 0.214067 ETOT(band)= -0.233501 trlgG= -0.292663 logG= -0.028083 TDE= -0.170959 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001289 tlogG= -0.005985 logG= -0.007274 Density= 0.081020 ETOT(band)= -0.087595 trlgG= -0.110536 logG= -0.007274 TDE= -0.042909 logGD-logG0= -0.005277 tlogG= -0.024009 logG= -0.029286 Density= 0.215578 ETOT(band)= -0.233978 trlgG= -0.295147 logG= -0.029286 TDE= -0.171629 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.023895 logG= -0.028556 Density= 0.213164 ETOT(band)= -0.233993 trlgG= -0.292823 logG= -0.028556 TDE= -0.170834 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001199 tlogG= -0.005172 logG= -0.006372 Density= 0.062506 ETOT(band)= -0.067582 trlgG= -0.084302 logG= -0.006372 TDE= -0.042371 logGD-logG0= -0.005024 tlogG= -0.022910 logG= -0.027933 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214681 ETOT(band)= -0.232525 trlgG= -0.290010 logG= -0.027933 TDE= -0.170482 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.024137 logG= -0.028496 Density= 0.212049 ETOT(band)= -0.234512 trlgG= -0.294024 logG= -0.028496 TDE= -0.171029 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001218 tlogG= -0.005308 logG= -0.006526 Density= 0.081517 ETOT(band)= -0.085729 trlgG= -0.106324 logG= -0.006526 TDE= -0.042473 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005308 tlogG= -0.023486 logG= -0.028794 Density= 0.215104 ETOT(band)= -0.233450 trlgG= -0.293228 logG= -0.028794 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023198 logG= -0.028425 logGD-logG0= -0.004490 tlogG= -0.023746 logG= -0.028236 Density= 0.214754 ETOT(band)= -0.233078 trlgG= -0.291543 logG= -0.028425 TDE= -0.170670 Density= 0.212967 ETOT(band)= -0.233718 trlgG= -0.292095 logG= -0.028236 TDE= -0.170831 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023807 logG= -0.029117 Density= 0.215225 ETOT(band)= -0.233885 trlgG= -0.294492 logG= -0.029117 TDE= -0.171477 logGD-logG0= -0.005240 tlogG= -0.024007 logG= -0.029247 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023592 logG= -0.028137 Density= 0.216248 ETOT(band)= -0.233456 trlgG= -0.294665 logG= -0.029247 TDE= -0.171646 Density= 0.212498 ETOT(band)= -0.234128 trlgG= -0.293073 logG= -0.028137 TDE= -0.170746 logGD-logG0= -0.005131 tlogG= -0.023850 logG= -0.028981 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215387 ETOT(band)= -0.233880 trlgG= -0.294597 logG= -0.028981 TDE= -0.171165 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.024012 logG= -0.028840 Density= 0.321396 ETOT(band)= -0.351298 trlgG= -0.441829 logG= -0.028840 TDE= -0.171277 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001599 tlogG= -0.006875 logG= -0.008474 Density= 0.040827 ETOT(band)= -0.042694 trlgG= -0.052854 logG= -0.008474 TDE= -0.056479 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005371 tlogG= -0.024130 logG= -0.029501 Density= 0.215611 ETOT(band)= -0.234134 trlgG= -0.295563 logG= -0.029501 TDE= -0.171662 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.024168 logG= -0.029268 Density= 0.322275 ETOT(band)= -0.351407 trlgG= -0.442506 logG= -0.029268 TDE= -0.171282 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.022479 logG= -0.027450 Density= 0.214907 ETOT(band)= -0.231787 trlgG= -0.288364 logG= -0.027450 TDE= -0.170231 logGD-logG0= -0.005074 tlogG= -0.024163 logG= -0.029237 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023964 logG= -0.029197 Density= 0.216282 ETOT(band)= -0.233352 trlgG= -0.294432 logG= -0.029197 TDE= -0.171619 Density= 0.214630 ETOT(band)= -0.234292 trlgG= -0.294854 logG= -0.029237 TDE= -0.171287 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023963 logG= -0.029097 logGD-logG0= -0.005253 tlogG= -0.023769 logG= -0.029022 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214228 ETOT(band)= -0.234221 trlgG= -0.294240 logG= -0.029097 TDE= -0.171114 Density= 0.216171 ETOT(band)= -0.233154 trlgG= -0.293728 logG= -0.029022 TDE= -0.171478 logGD-logG0= -0.010510 tlogG= -0.047801 logG= -0.058311 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324190 ETOT(band)= -0.350090 trlgG= -0.441496 logG= -0.058311 TDE= -0.343133 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.022974 logG= -0.028207 Density= 0.216114 ETOT(band)= -0.232201 trlgG= -0.290903 logG= -0.028207 TDE= -0.170951 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.047250 logG= -0.057806 logGD-logG0= -0.005306 tlogG= -0.024089 logG= -0.029394 Density= 0.323970 ETOT(band)= -0.349724 trlgG= -0.440149 logG= -0.057806 TDE= -0.342740 Density= 0.322898 ETOT(band)= -0.351378 trlgG= -0.443157 logG= -0.029394 TDE= -0.171476 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.046428 logG= -0.056983 Density= 0.323832 ETOT(band)= -0.349068 trlgG= -0.438062 logG= -0.056983 TDE= -0.342182 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.046616 logG= -0.056408 Density= 0.322535 ETOT(band)= -0.349199 trlgG= -0.436883 logG= -0.056408 TDE= -0.341710 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.045638 logG= -0.055924 logGD-logG0= -0.004837 tlogG= -0.023251 logG= -0.028088 Density= 0.213381 ETOT(band)= -0.233745 trlgG= -0.292555 logG= -0.028088 TDE= -0.170796 Density= 0.323877 ETOT(band)= -0.348124 trlgG= -0.435441 logG= -0.055924 TDE= -0.341557 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.023843 logG= -0.028733 Density= 0.213457 ETOT(band)= -0.234278 trlgG= -0.294072 logG= -0.028733 TDE= -0.171100 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023249 logG= -0.028334 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321533 ETOT(band)= -0.350755 trlgG= -0.440102 logG= -0.028334 TDE= -0.170905 logGD-logG0= -0.010800 tlogG= -0.048053 logG= -0.058853 Density= 0.323084 ETOT(band)= -0.351168 trlgG= -0.442851 logG= -0.058853 TDE= -0.343128 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001590 tlogG= -0.007590 logG= -0.009181 Density= 0.071458 ETOT(band)= -0.077389 trlgG= -0.096263 logG= -0.009181 TDE= -0.056755 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 Density= 0.214007 ETOT(band)= -0.234214 trlgG= -0.294458 logG= -0.028808 TDE= -0.171282 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005403 tlogG= -0.023965 logG= -0.029369 Density= 0.323499 ETOT(band)= -0.350839 trlgG= -0.442591 logG= -0.029369 TDE= -0.171534 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023692 logG= -0.029159 logGD-logG0= -0.009561 tlogG= -0.046723 logG= -0.056285 Density= 0.215299 ETOT(band)= -0.233733 trlgG= -0.294177 logG= -0.029159 TDE= -0.171308 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427657 ETOT(band)= -0.466386 trlgG= -0.582499 logG= -0.056285 TDE= -0.341322 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023373 logG= -0.028111 Density= 0.321464 ETOT(band)= -0.350250 trlgG= -0.439250 logG= -0.028111 TDE= -0.170951 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010425 tlogG= -0.047968 logG= -0.058393 Density= 0.428981 ETOT(band)= -0.468480 trlgG= -0.588918 logG= -0.058393 TDE= -0.342257 logGD-logG0= -0.010255 tlogG= -0.048161 logG= -0.058416 Density= 0.429078 ETOT(band)= -0.468518 trlgG= -0.589269 logG= -0.058416 TDE= -0.342414 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010389 tlogG= -0.048232 logG= -0.058622 Density= 0.429817 ETOT(band)= -0.468520 trlgG= -0.590039 logG= -0.058622 TDE= -0.342632 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005493 tlogG= -0.023358 logG= -0.028851 Density= 0.214996 ETOT(band)= -0.233476 trlgG= -0.293038 logG= -0.028851 TDE= -0.171015 logGD-logG0= -0.009752 tlogG= -0.047852 logG= -0.057604 Density= 0.427809 ETOT(band)= -0.468412 trlgG= -0.588503 logG= -0.057604 TDE= -0.342368 logGD-logG0= -0.010600 tlogG= -0.048081 logG= -0.058681 Density= 0.429923 ETOT(band)= -0.468350 trlgG= -0.589710 logG= -0.058681 TDE= -0.342758 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.046620 logG= -0.056231 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427864 ETOT(band)= -0.467108 trlgG= -0.585106 logG= -0.056231 TDE= -0.341737 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010864 tlogG= -0.047709 logG= -0.058573 logGD-logG0= -0.010769 tlogG= -0.047738 logG= -0.058507 Density= 0.430874 ETOT(band)= -0.467711 trlgG= -0.589347 logG= -0.058573 TDE= -0.342880 Density= 0.430532 ETOT(band)= -0.467769 trlgG= -0.588990 logG= -0.058507 TDE= -0.342774 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.021356 logG= -0.026398 Density= 0.216909 ETOT(band)= -0.229293 trlgG= -0.284587 logG= -0.026398 TDE= -0.169943 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009928 tlogG= -0.047865 logG= -0.057793 logGD-logG0= -0.010042 tlogG= -0.046412 logG= -0.056454 Density= 0.428911 ETOT(band)= -0.468183 trlgG= -0.588468 logG= -0.057793 TDE= -0.342354 Density= 0.429301 ETOT(band)= -0.465808 trlgG= -0.582163 logG= -0.056454 TDE= -0.341432 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047572 logG= -0.057680 Density= 0.428380 ETOT(band)= -0.467737 trlgG= -0.586868 logG= -0.057680 TDE= -0.342053 logGD-logG0= -0.010368 tlogG= -0.047679 logG= -0.058047 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428064 ETOT(band)= -0.468394 trlgG= -0.587833 logG= -0.058047 TDE= -0.342009 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010428 tlogG= -0.046941 logG= -0.057369 Density= 0.429655 ETOT(band)= -0.466722 trlgG= -0.584865 logG= -0.057369 TDE= -0.341724 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010788 tlogG= -0.048035 logG= -0.058822 Density= 0.431116 ETOT(band)= -0.467993 trlgG= -0.590341 logG= -0.058822 TDE= -0.343145 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004888 tlogG= -0.022333 logG= -0.027220 Density= 0.322701 ETOT(band)= -0.348166 trlgG= -0.434492 logG= -0.027220 TDE= -0.170298 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010827 tlogG= -0.047278 logG= -0.058105 Density= 0.430260 ETOT(band)= -0.467345 trlgG= -0.587518 logG= -0.058105 TDE= -0.342389 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001711 tlogG= -0.007118 logG= -0.008829 logGD-logG0= -0.005001 tlogG= -0.022298 logG= -0.027299 Density= 0.072192 ETOT(band)= -0.076518 trlgG= -0.094944 logG= -0.008829 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214143 ETOT(band)= -0.232568 trlgG= -0.289767 logG= -0.027299 TDE= -0.170218 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010352 tlogG= -0.047581 logG= -0.057933 Density= 0.429787 ETOT(band)= -0.467369 trlgG= -0.586797 logG= -0.057933 TDE= -0.342170 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001238 tlogG= -0.005469 logG= -0.006707 Density= 0.081158 ETOT(band)= -0.086399 trlgG= -0.107486 logG= -0.006707 TDE= -0.042585 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005133 tlogG= -0.021885 logG= -0.027017 Density= 0.216515 ETOT(band)= -0.230403 trlgG= -0.286795 logG= -0.027017 TDE= -0.170276 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004847 tlogG= -0.022332 logG= -0.027180 Density= 0.214913 ETOT(band)= -0.232077 trlgG= -0.289410 logG= -0.027180 TDE= -0.170304 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021210 logG= -0.026211 Density= 0.216233 ETOT(band)= -0.230157 trlgG= -0.285848 logG= -0.026211 TDE= -0.169849 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009922 tlogG= -0.044636 logG= -0.054558 Density= 0.431380 ETOT(band)= -0.462324 trlgG= -0.575367 logG= -0.054558 TDE= -0.340516 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.993234360792 eV TrLogG= -407.642801309951 eV Ratio to renormalize= 1.000554364848 rho-rho_expected=-0.012189269343 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 60) Finished k-point number 122 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964785781482087 0.940657754270451 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002334 tlogG= -0.011442 logG= -0.013776 Density= 0.053698 ETOT(band)= -0.058108 trlgG= -0.072551 logG= -0.013776 TDE= -0.085347 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004551 tlogG= -0.024036 logG= -0.028587 Density= 0.106304 ETOT(band)= -0.117238 trlgG= -0.146906 logG= -0.028587 TDE= -0.170924 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023673 logG= -0.028965 Density= 0.107154 ETOT(band)= -0.117079 trlgG= -0.146951 logG= -0.028965 TDE= -0.171012 logGD-logG0= -0.005099 tlogG= -0.023204 logG= -0.028303 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108124 ETOT(band)= -0.116272 trlgG= -0.145962 logG= -0.028303 TDE= -0.171164 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.022721 logG= -0.027755 logGD-logG0= -0.005115 tlogG= -0.022863 logG= -0.027978 Density= 0.108178 ETOT(band)= -0.115942 trlgG= -0.145094 logG= -0.027755 TDE= -0.170871 Density= 0.107540 ETOT(band)= -0.116371 trlgG= -0.145439 logG= -0.027978 TDE= -0.170678 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004713 tlogG= -0.023676 logG= -0.028389 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106896 ETOT(band)= -0.116922 trlgG= -0.146592 logG= -0.028389 TDE= -0.171100 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004886 tlogG= -0.024059 logG= -0.028945 Density= 0.106978 ETOT(band)= -0.117174 trlgG= -0.147268 logG= -0.028945 TDE= -0.171261 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002327 tlogG= -0.011878 logG= -0.014206 Density= 0.053522 ETOT(band)= -0.058440 trlgG= -0.073317 logG= -0.014206 TDE= -0.085597 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002423 tlogG= -0.012077 logG= -0.014500 Density= 0.053545 ETOT(band)= -0.058584 trlgG= -0.073679 logG= -0.014500 TDE= -0.085677 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007808 logG= -0.009295 logGD-logG0= -0.002605 tlogG= -0.012027 logG= -0.014631 Density= 0.053726 ETOT(band)= -0.058571 trlgG= -0.073736 logG= -0.014631 TDE= -0.085691 Density= 0.035464 ETOT(band)= -0.038953 trlgG= -0.048644 logG= -0.009295 TDE= -0.056898 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001407 tlogG= -0.008041 logG= -0.009448 Density= 0.035283 ETOT(band)= -0.039106 trlgG= -0.049010 logG= -0.009448 TDE= -0.057021 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.011978 logG= -0.014538 Density= 0.054103 ETOT(band)= -0.058330 trlgG= -0.073595 logG= -0.014538 TDE= -0.085830 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023419 logG= -0.028567 Density= 0.108060 ETOT(band)= -0.116449 trlgG= -0.146382 logG= -0.028567 TDE= -0.171289 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.022444 logG= -0.027483 logGD-logG0= -0.005285 tlogG= -0.024059 logG= -0.029344 Density= 0.108132 ETOT(band)= -0.115806 trlgG= -0.144658 logG= -0.027483 TDE= -0.170684 Density= 0.107569 ETOT(band)= -0.117143 trlgG= -0.147617 logG= -0.029344 TDE= -0.171504 logGD-logG0= -0.004354 tlogG= -0.023965 logG= -0.028319 Density= 0.106082 ETOT(band)= -0.117208 trlgG= -0.146786 logG= -0.028319 TDE= -0.170962 logGD-logG0= -0.005107 tlogG= -0.022970 logG= -0.028077 logGD-logG0= -0.005152 tlogG= -0.023752 logG= -0.028905 Density= 0.108108 ETOT(band)= -0.116610 trlgG= -0.146917 logG= -0.028905 TDE= -0.171510 Density= 0.108064 ETOT(band)= -0.116179 trlgG= -0.145607 logG= -0.028077 TDE= -0.171005 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.022156 logG= -0.027112 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108288 ETOT(band)= -0.115499 trlgG= -0.144048 logG= -0.027112 TDE= -0.170523 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004626 tlogG= -0.023196 logG= -0.027821 Density= 0.106653 ETOT(band)= -0.116703 trlgG= -0.145575 logG= -0.027821 TDE= -0.170530 logGD-logG0= -0.005139 tlogG= -0.023939 logG= -0.029078 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108160 ETOT(band)= -0.116685 trlgG= -0.147195 logG= -0.029078 TDE= -0.171640 logGD-logG0= -0.004327 tlogG= -0.024042 logG= -0.028369 Density= 0.106030 ETOT(band)= -0.117252 trlgG= -0.146900 logG= -0.028369 TDE= -0.171000 logGD-logG0= -0.005291 tlogG= -0.024077 logG= -0.029368 Density= 0.107816 ETOT(band)= -0.117048 trlgG= -0.147679 logG= -0.029368 TDE= -0.171663 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002629 tlogG= -0.011983 logG= -0.014611 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053947 ETOT(band)= -0.058452 trlgG= -0.073718 logG= -0.014611 TDE= -0.085802 logGD-logG0= -0.005324 tlogG= -0.024123 logG= -0.029448 logGD-logG0= -0.005317 tlogG= -0.023890 logG= -0.029207 Density= 0.107739 ETOT(band)= -0.117137 trlgG= -0.147805 logG= -0.029448 TDE= -0.171672 logGD-logG0= -0.005234 tlogG= -0.023956 logG= -0.029190 Density= 0.107369 ETOT(band)= -0.117130 trlgG= -0.147345 logG= -0.029190 TDE= -0.171286 Density= 0.107679 ETOT(band)= -0.117008 trlgG= -0.147401 logG= -0.029207 TDE= -0.171479 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.024082 logG= -0.029080 logGD-logG0= -0.004835 tlogG= -0.023677 logG= -0.028512 Density= 0.107302 ETOT(band)= -0.116799 trlgG= -0.146497 logG= -0.028512 TDE= -0.171083 logGD-logG0= -0.005004 tlogG= -0.023631 logG= -0.028636 logGD-logG0= -0.005126 tlogG= -0.023860 logG= -0.028986 Density= 0.108181 ETOT(band)= -0.116620 trlgG= -0.147046 logG= -0.028986 TDE= -0.171593 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106898 ETOT(band)= -0.117010 trlgG= -0.146402 logG= -0.028636 TDE= -0.170665 Density= 0.107304 ETOT(band)= -0.117110 trlgG= -0.147238 logG= -0.029080 TDE= -0.171257 logGD-logG0= -0.005129 tlogG= -0.023594 logG= -0.028723 Density= 0.108134 ETOT(band)= -0.116495 trlgG= -0.146626 logG= -0.028723 TDE= -0.171413 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004712 tlogG= -0.022980 logG= -0.027692 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106790 ETOT(band)= -0.116571 trlgG= -0.145311 logG= -0.027692 TDE= -0.170464 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023658 logG= -0.028343 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106514 ETOT(band)= -0.117042 trlgG= -0.146490 logG= -0.028343 TDE= -0.170855 logGD-logG0= -0.005015 tlogG= -0.022397 logG= -0.027412 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023881 logG= -0.028792 Density= 0.106676 ETOT(band)= -0.117195 trlgG= -0.147016 logG= -0.028792 TDE= -0.171013 Density= 0.107558 ETOT(band)= -0.116038 trlgG= -0.144542 logG= -0.027412 TDE= -0.170356 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.022838 logG= -0.027705 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.023183 logG= -0.028490 Density= 0.107673 ETOT(band)= -0.116166 trlgG= -0.145026 logG= -0.027705 TDE= -0.170603 Density= 0.107609 ETOT(band)= -0.116618 trlgG= -0.146249 logG= -0.028490 TDE= -0.171009 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004744 tlogG= -0.022841 logG= -0.027585 Density= 0.107218 ETOT(band)= -0.116314 trlgG= -0.145156 logG= -0.027585 TDE= -0.170628 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023860 logG= -0.029137 Density= 0.107844 ETOT(band)= -0.116874 trlgG= -0.147292 logG= -0.029137 TDE= -0.171522 logGD-logG0= -0.005315 tlogG= -0.023569 logG= -0.028884 Density= 0.107728 ETOT(band)= -0.116779 trlgG= -0.146878 logG= -0.028884 TDE= -0.171303 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009477 tlogG= -0.045738 logG= -0.055215 Density= 0.214864 ETOT(band)= -0.232458 trlgG= -0.290209 logG= -0.055215 TDE= -0.341320 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009794 tlogG= -0.048223 logG= -0.058017 logGD-logG0= -0.009757 tlogG= -0.045569 logG= -0.055327 Density= 0.214204 ETOT(band)= -0.232814 trlgG= -0.290393 logG= -0.055327 TDE= -0.341065 logGD-logG0= -0.005266 tlogG= -0.024048 logG= -0.029314 Density= 0.214248 ETOT(band)= -0.234304 trlgG= -0.294608 logG= -0.058017 TDE= -0.342611 Density= 0.107876 ETOT(band)= -0.116980 trlgG= -0.147589 logG= -0.029314 TDE= -0.171658 logGD-logG0= -0.009940 tlogG= -0.047880 logG= -0.057821 Density= 0.213811 ETOT(band)= -0.234346 trlgG= -0.294300 logG= -0.057821 TDE= -0.342284 logGD-logG0= -0.009120 tlogG= -0.047612 logG= -0.056731 Density= 0.212757 ETOT(band)= -0.234210 trlgG= -0.293113 logG= -0.056731 TDE= -0.341665 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010516 tlogG= -0.047725 logG= -0.058241 logGD-logG0= -0.009660 tlogG= -0.047139 logG= -0.056799 Density= 0.213606 ETOT(band)= -0.233903 trlgG= -0.293037 logG= -0.056799 TDE= -0.341941 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214607 ETOT(band)= -0.234224 trlgG= -0.294444 logG= -0.058241 TDE= -0.342401 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009823 tlogG= -0.047133 logG= -0.056955 Density= 0.213617 ETOT(band)= -0.233947 trlgG= -0.292829 logG= -0.056955 TDE= -0.341581 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010320 tlogG= -0.047957 logG= -0.058277 logGD-logG0= -0.009551 tlogG= -0.047909 logG= -0.057460 Density= 0.213109 ETOT(band)= -0.234416 trlgG= -0.293758 logG= -0.057460 TDE= -0.341755 logGD-logG0= -0.010471 tlogG= -0.048059 logG= -0.058530 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214926 ETOT(band)= -0.234131 trlgG= -0.294536 logG= -0.058277 TDE= -0.342615 Density= 0.214923 ETOT(band)= -0.234276 trlgG= -0.294952 logG= -0.058530 TDE= -0.342777 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009432 tlogG= -0.047427 logG= -0.056859 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214155 ETOT(band)= -0.233729 trlgG= -0.293163 logG= -0.056859 TDE= -0.342279 logGD-logG0= -0.002463 tlogG= -0.010835 logG= -0.013298 Density= 0.054027 ETOT(band)= -0.057625 trlgG= -0.071589 logG= -0.013298 TDE= -0.085026 logGD-logG0= -0.009862 tlogG= -0.045627 logG= -0.055489 Density= 0.214998 ETOT(band)= -0.232532 trlgG= -0.290200 logG= -0.055489 TDE= -0.341102 logGD-logG0= -0.010381 tlogG= -0.047765 logG= -0.058146 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010553 tlogG= -0.047993 logG= -0.058545 Density= 0.214505 ETOT(band)= -0.234219 trlgG= -0.294276 logG= -0.058146 TDE= -0.342278 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214960 ETOT(band)= -0.234267 trlgG= -0.294980 logG= -0.058545 TDE= -0.342807 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.007301 logG= -0.008991 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035818 ETOT(band)= -0.038601 trlgG= -0.047943 logG= -0.008991 TDE= -0.056676 logGD-logG0= -0.001624 tlogG= -0.006987 logG= -0.008611 Density= 0.036173 ETOT(band)= -0.038149 trlgG= -0.047279 logG= -0.008611 TDE= -0.056568 logGD-logG0= -0.010182 tlogG= -0.047638 logG= -0.057821 Density= 0.213792 ETOT(band)= -0.234333 trlgG= -0.294052 logG= -0.057821 TDE= -0.342026 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010666 tlogG= -0.048122 logG= -0.058788 Density= 0.215279 ETOT(band)= -0.234290 trlgG= -0.295415 logG= -0.058788 TDE= -0.343157 logGD-logG0= -0.010575 tlogG= -0.047397 logG= -0.057972 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010529 tlogG= -0.047921 logG= -0.058450 Density= 0.215323 ETOT(band)= -0.233759 trlgG= -0.294079 logG= -0.057972 TDE= -0.342659 Density= 0.215756 ETOT(band)= -0.233831 trlgG= -0.294878 logG= -0.058450 TDE= -0.343195 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010604 tlogG= -0.047508 logG= -0.058112 Density= 0.215558 ETOT(band)= -0.233716 trlgG= -0.294317 logG= -0.058112 TDE= -0.342873 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010064 tlogG= -0.048008 logG= -0.058071 logGD-logG0= -0.010410 tlogG= -0.047286 logG= -0.057695 Density= 0.214379 ETOT(band)= -0.234250 trlgG= -0.294355 logG= -0.058071 TDE= -0.342369 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214107 ETOT(band)= -0.234123 trlgG= -0.293527 logG= -0.057695 TDE= -0.341782 logGD-logG0= -0.010177 tlogG= -0.046389 logG= -0.056566 Density= 0.215066 ETOT(band)= -0.233094 trlgG= -0.291835 logG= -0.056566 TDE= -0.341695 logGD-logG0= -0.010584 tlogG= -0.047870 logG= -0.058454 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215626 ETOT(band)= -0.233905 trlgG= -0.294882 logG= -0.058454 TDE= -0.343130 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009787 tlogG= -0.047203 logG= -0.056991 Density= 0.214322 ETOT(band)= -0.233688 trlgG= -0.292934 logG= -0.056991 TDE= -0.342001 logGD-logG0= -0.010617 tlogG= -0.046854 logG= -0.057472 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215284 ETOT(band)= -0.233482 trlgG= -0.293278 logG= -0.057472 TDE= -0.342339 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010089 tlogG= -0.047129 logG= -0.057218 Density= 0.215003 ETOT(band)= -0.233496 trlgG= -0.292854 logG= -0.057218 TDE= -0.342030 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.021861 logG= -0.026852 Density= 0.108253 ETOT(band)= -0.115315 trlgG= -0.143599 logG= -0.026852 TDE= -0.170316 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004904 tlogG= -0.021550 logG= -0.026454 Density= 0.108444 ETOT(band)= -0.114947 trlgG= -0.142917 logG= -0.026454 TDE= -0.170126 logGD-logG0= -0.004822 tlogG= -0.020975 logG= -0.025797 Density= 0.108642 ETOT(band)= -0.114357 trlgG= -0.141758 logG= -0.025797 TDE= -0.169722 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004739 tlogG= -0.023490 logG= -0.028229 Density= 0.106691 ETOT(band)= -0.116894 trlgG= -0.146058 logG= -0.028229 TDE= -0.170625 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.010419 logG= -0.012821 Density= 0.054344 ETOT(band)= -0.057105 trlgG= -0.070739 logG= -0.012821 TDE= -0.084810 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.021807 logG= -0.026876 Density= 0.107713 ETOT(band)= -0.115608 trlgG= -0.143665 logG= -0.026876 TDE= -0.170091 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.021683 logG= -0.026693 Density= 0.107857 ETOT(band)= -0.115414 trlgG= -0.143354 logG= -0.026693 TDE= -0.170034 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005616 logG= -0.006853 logGD-logG0= -0.010014 tlogG= -0.043366 logG= -0.053380 Density= 0.080782 ETOT(band)= -0.087025 trlgG= -0.108686 logG= -0.006853 TDE= -0.042685 Density= 0.216132 ETOT(band)= -0.230615 trlgG= -0.286681 logG= -0.053380 TDE= -0.340254 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005078 tlogG= -0.023947 logG= -0.029024 Density= 0.214186 ETOT(band)= -0.234255 trlgG= -0.294134 logG= -0.029024 TDE= -0.171124 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.023404 logG= -0.028609 Density= 0.216058 ETOT(band)= -0.232802 trlgG= -0.292409 logG= -0.028609 TDE= -0.171249 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004579 tlogG= -0.023962 logG= -0.028541 Density= 0.212640 ETOT(band)= -0.234446 trlgG= -0.293717 logG= -0.028541 TDE= -0.170891 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.022956 logG= -0.028134 Density= 0.216083 ETOT(band)= -0.232228 trlgG= -0.290792 logG= -0.028134 TDE= -0.170961 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004739 tlogG= -0.023997 logG= -0.028736 Density= 0.213964 ETOT(band)= -0.234249 trlgG= -0.294352 logG= -0.028736 TDE= -0.171291 logGD-logG0= -0.005170 tlogG= -0.023183 logG= -0.028352 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214715 ETOT(band)= -0.233111 trlgG= -0.291436 logG= -0.028352 TDE= -0.170680 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004650 tlogG= -0.023360 logG= -0.028010 Density= 0.214026 ETOT(band)= -0.233536 trlgG= -0.292558 logG= -0.028010 TDE= -0.170969 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001258 tlogG= -0.005745 logG= -0.007002 Density= 0.080580 ETOT(band)= -0.087455 trlgG= -0.109691 logG= -0.007002 TDE= -0.042761 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080593 ETOT(band)= -0.087670 trlgG= -0.110246 logG= -0.007125 TDE= -0.042827 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005936 logG= -0.007213 Density= 0.080778 ETOT(band)= -0.087704 trlgG= -0.110443 logG= -0.007213 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001433 tlogG= -0.007962 logG= -0.009396 Density= 0.070809 ETOT(band)= -0.078009 trlgG= -0.097531 logG= -0.009396 TDE= -0.056982 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005981 logG= -0.007256 Density= 0.081009 ETOT(band)= -0.087605 trlgG= -0.110494 logG= -0.007256 TDE= -0.042911 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023991 logG= -0.029212 Density= 0.215544 ETOT(band)= -0.234006 trlgG= -0.295037 logG= -0.029212 TDE= -0.171639 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.024112 logG= -0.029428 Density= 0.215577 ETOT(band)= -0.234162 trlgG= -0.295453 logG= -0.029428 TDE= -0.171672 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023789 logG= -0.029044 Density= 0.215189 ETOT(band)= -0.233915 trlgG= -0.294382 logG= -0.029044 TDE= -0.171486 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.023470 logG= -0.028721 Density= 0.215067 ETOT(band)= -0.233481 trlgG= -0.293119 logG= -0.028721 TDE= -0.171229 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023577 logG= -0.028065 logGD-logG0= -0.004301 tlogG= -0.024122 logG= -0.028423 Density= 0.211997 ETOT(band)= -0.234555 trlgG= -0.293924 logG= -0.028423 TDE= -0.171039 logGD-logG0= -0.005185 tlogG= -0.023989 logG= -0.029174 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216218 ETOT(band)= -0.233482 trlgG= -0.294553 logG= -0.029174 TDE= -0.171656 Density= 0.212447 ETOT(band)= -0.234170 trlgG= -0.292972 logG= -0.028065 TDE= -0.170755 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023833 logG= -0.028908 Density= 0.215352 ETOT(band)= -0.233909 trlgG= -0.294488 logG= -0.028908 TDE= -0.171175 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.024152 logG= -0.029195 Density= 0.322218 ETOT(band)= -0.351455 trlgG= -0.442344 logG= -0.029195 TDE= -0.171291 logGD-logG0= -0.005117 tlogG= -0.022427 logG= -0.027543 Density= 0.216227 ETOT(band)= -0.231430 trlgG= -0.288804 logG= -0.027543 TDE= -0.170626 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004433 tlogG= -0.023731 logG= -0.028164 Density= 0.212918 ETOT(band)= -0.233758 trlgG= -0.291993 logG= -0.028164 TDE= -0.170840 logGD-logG0= -0.005018 tlogG= -0.024146 logG= -0.029164 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214591 ETOT(band)= -0.234325 trlgG= -0.294746 logG= -0.029164 TDE= -0.171296 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023357 logG= -0.028039 logGD-logG0= -0.010400 tlogG= -0.047765 logG= -0.058164 Density= 0.321403 ETOT(band)= -0.350301 trlgG= -0.439090 logG= -0.028039 TDE= -0.170960 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324143 ETOT(band)= -0.350130 trlgG= -0.441329 logG= -0.058164 TDE= -0.343152 logGD-logG0= -0.005178 tlogG= -0.023946 logG= -0.029124 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216252 ETOT(band)= -0.233378 trlgG= -0.294319 logG= -0.029124 TDE= -0.171629 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001186 tlogG= -0.005167 logG= -0.006353 Density= 0.062494 ETOT(band)= -0.067592 trlgG= -0.084271 logG= -0.006353 TDE= -0.042374 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004919 tlogG= -0.023871 logG= -0.028789 logGD-logG0= -0.010174 tlogG= -0.045605 logG= -0.055778 Density= 0.323828 ETOT(band)= -0.348166 trlgG= -0.435275 logG= -0.055778 TDE= -0.341576 logGD-logG0= -0.010689 tlogG= -0.048018 logG= -0.058707 Density= 0.213628 ETOT(band)= -0.234175 trlgG= -0.293231 logG= -0.028789 TDE= -0.170854 Density= 0.323031 ETOT(band)= -0.351212 trlgG= -0.442687 logG= -0.058707 TDE= -0.343147 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010447 tlogG= -0.047213 logG= -0.057660 Density= 0.323922 ETOT(band)= -0.349764 trlgG= -0.439982 logG= -0.057660 TDE= -0.342759 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.024072 logG= -0.029321 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322844 ETOT(band)= -0.351423 trlgG= -0.442993 logG= -0.029321 TDE= -0.171486 logGD-logG0= -0.004772 tlogG= -0.023995 logG= -0.028767 Density= 0.321335 ETOT(band)= -0.351350 trlgG= -0.441669 logG= -0.028767 TDE= -0.171286 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022895 logG= -0.027861 logGD-logG0= -0.005198 tlogG= -0.023751 logG= -0.028949 Density= 0.214641 ETOT(band)= -0.232558 trlgG= -0.289904 logG= -0.027861 TDE= -0.170491 Density= 0.216140 ETOT(band)= -0.233180 trlgG= -0.293616 logG= -0.028949 TDE= -0.171488 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023888 logG= -0.029252 logGD-logG0= -0.001580 tlogG= -0.006869 logG= -0.008449 Density= 0.215503 ETOT(band)= -0.233908 trlgG= -0.294764 logG= -0.029252 TDE= -0.171495 logGD-logG0= -0.004782 tlogG= -0.023234 logG= -0.028016 logGD-logG0= -0.010445 tlogG= -0.046391 logG= -0.056837 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213335 ETOT(band)= -0.233783 trlgG= -0.292451 logG= -0.028016 TDE= -0.170805 Density= 0.323783 ETOT(band)= -0.349110 trlgG= -0.437896 logG= -0.056837 TDE= -0.342201 Density= 0.040823 ETOT(band)= -0.042698 trlgG= -0.052832 logG= -0.008449 TDE= -0.056482 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023232 logG= -0.028261 Density= 0.321472 ETOT(band)= -0.350806 trlgG= -0.439942 logG= -0.028261 TDE= -0.170915 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004834 tlogG= -0.023826 logG= -0.028661 Density= 0.213412 ETOT(band)= -0.234316 trlgG= -0.293968 logG= -0.028661 TDE= -0.171110 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023674 logG= -0.029086 Density= 0.215263 ETOT(band)= -0.233763 trlgG= -0.294068 logG= -0.029086 TDE= -0.171318 logGD-logG0= -0.005348 tlogG= -0.023947 logG= -0.029296 Density= 0.323449 ETOT(band)= -0.350881 trlgG= -0.442426 logG= -0.029296 TDE= -0.171544 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023342 logG= -0.028778 Density= 0.214958 ETOT(band)= -0.233508 trlgG= -0.292930 logG= -0.028778 TDE= -0.171024 logGD-logG0= -0.009680 tlogG= -0.046583 logG= -0.056263 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322479 ETOT(band)= -0.349246 trlgG= -0.436720 logG= -0.056263 TDE= -0.341729 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009640 tlogG= -0.047819 logG= -0.057458 Density= 0.427722 ETOT(band)= -0.468484 trlgG= -0.588292 logG= -0.057458 TDE= -0.342387 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008960 tlogG= -0.048076 logG= -0.057036 Density= 0.425196 ETOT(band)= -0.468692 trlgG= -0.586923 logG= -0.057036 TDE= -0.341899 logGD-logG0= -0.010143 tlogG= -0.048127 logG= -0.058270 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428998 ETOT(band)= -0.468584 trlgG= -0.589055 logG= -0.058270 TDE= -0.342433 logGD-logG0= -0.009447 tlogG= -0.046693 logG= -0.056140 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427569 ETOT(band)= -0.466459 trlgG= -0.582290 logG= -0.056140 TDE= -0.341341 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007585 logG= -0.009156 Density= 0.071444 ETOT(band)= -0.077401 trlgG= -0.096227 logG= -0.009156 TDE= -0.056758 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010656 tlogG= -0.047705 logG= -0.058361 Density= 0.430460 ETOT(band)= -0.467829 trlgG= -0.588772 logG= -0.058361 TDE= -0.342793 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010487 tlogG= -0.048048 logG= -0.058535 Density= 0.429848 ETOT(band)= -0.468412 trlgG= -0.589494 logG= -0.058535 TDE= -0.342777 logGD-logG0= -0.004905 tlogG= -0.021287 logG= -0.026192 Density= 0.162545 ETOT(band)= -0.173091 trlgG= -0.216063 logG= -0.026192 TDE= -0.169939 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010255 tlogG= -0.047647 logG= -0.057902 logGD-logG0= -0.010312 tlogG= -0.047935 logG= -0.058247 Density= 0.427979 ETOT(band)= -0.468464 trlgG= -0.587622 logG= -0.057902 TDE= -0.342028 Density= 0.428901 ETOT(band)= -0.468547 trlgG= -0.588705 logG= -0.058247 TDE= -0.342276 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009500 tlogG= -0.046586 logG= -0.056086 Density= 0.427778 ETOT(band)= -0.467180 trlgG= -0.584896 logG= -0.056086 TDE= -0.341755 logGD-logG0= -0.010276 tlogG= -0.048199 logG= -0.058476 Density= 0.429741 ETOT(band)= -0.468583 trlgG= -0.589823 logG= -0.058476 TDE= -0.342652 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047628 logG= -0.057280 Density= 0.426345 ETOT(band)= -0.468708 trlgG= -0.587438 logG= -0.057280 TDE= -0.341920 logGD-logG0= -0.010754 tlogG= -0.047673 logG= -0.058426 logGD-logG0= -0.009606 tlogG= -0.047747 logG= -0.057353 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430805 ETOT(band)= -0.467769 trlgG= -0.589128 logG= -0.058426 TDE= -0.342899 Density= 0.426852 ETOT(band)= -0.468253 trlgG= -0.586283 logG= -0.057353 TDE= -0.341621 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009930 tlogG= -0.046378 logG= -0.056309 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429222 ETOT(band)= -0.465874 trlgG= -0.581949 logG= -0.056309 TDE= -0.341450 logGD-logG0= -0.010678 tlogG= -0.047998 logG= -0.058676 Density= 0.431048 ETOT(band)= -0.468050 trlgG= -0.590121 logG= -0.058676 TDE= -0.343164 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009997 tlogG= -0.047538 logG= -0.057535 Density= 0.428296 ETOT(band)= -0.467806 trlgG= -0.586656 logG= -0.057535 TDE= -0.342072 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009815 tlogG= -0.047832 logG= -0.057647 Density= 0.428831 ETOT(band)= -0.468250 trlgG= -0.588253 logG= -0.057647 TDE= -0.342372 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010315 tlogG= -0.046908 logG= -0.057223 Density= 0.429577 ETOT(band)= -0.466786 trlgG= -0.584651 logG= -0.057223 TDE= -0.341743 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005465 logG= -0.006689 Density= 0.081147 ETOT(band)= -0.086409 trlgG= -0.107444 logG= -0.006689 TDE= -0.042587 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010239 tlogG= -0.047547 logG= -0.057787 Density= 0.429711 ETOT(band)= -0.467432 trlgG= -0.586582 logG= -0.057787 TDE= -0.342189 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004832 tlogG= -0.022316 logG= -0.027148 logGD-logG0= -0.001692 tlogG= -0.007112 logG= -0.008805 Density= 0.072182 ETOT(band)= -0.076527 trlgG= -0.094906 logG= -0.008805 TDE= -0.056642 Density= 0.322645 ETOT(band)= -0.348213 trlgG= -0.434329 logG= -0.027148 TDE= -0.170307 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010715 tlogG= -0.047244 logG= -0.057959 Density= 0.430187 ETOT(band)= -0.467406 trlgG= -0.587301 logG= -0.057959 TDE= -0.342409 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004945 tlogG= -0.022281 logG= -0.027227 Density= 0.214100 ETOT(band)= -0.232604 trlgG= -0.289663 logG= -0.027227 TDE= -0.170227 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009963 tlogG= -0.044598 logG= -0.054561 Density= 0.324070 ETOT(band)= -0.346895 trlgG= -0.432259 logG= -0.054561 TDE= -0.340896 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.022316 logG= -0.027107 Density= 0.214875 ETOT(band)= -0.232109 trlgG= -0.289303 logG= -0.027107 TDE= -0.170314 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004914 tlogG= -0.022464 logG= -0.027377 Density= 0.214868 ETOT(band)= -0.231820 trlgG= -0.288257 logG= -0.027377 TDE= -0.170240 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023880 logG= -0.028484 Density= 0.213116 ETOT(band)= -0.234032 trlgG= -0.292720 logG= -0.028484 TDE= -0.170843 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.021337 logG= -0.026325 Density= 0.216881 ETOT(band)= -0.229318 trlgG= -0.284473 logG= -0.026325 TDE= -0.169952 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001204 tlogG= -0.005304 logG= -0.006508 Density= 0.081507 ETOT(band)= -0.085738 trlgG= -0.106281 logG= -0.006508 TDE= -0.042475 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005078 tlogG= -0.021866 logG= -0.026944 Density= 0.216485 ETOT(band)= -0.230430 trlgG= -0.286682 logG= -0.026944 TDE= -0.170285 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004946 tlogG= -0.021192 logG= -0.026138 Density= 0.216201 ETOT(band)= -0.230185 trlgG= -0.285736 logG= -0.026138 TDE= -0.169858 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009811 tlogG= -0.044603 logG= -0.054413 Density= 0.431311 ETOT(band)= -0.462383 trlgG= -0.575148 logG= -0.054413 TDE= -0.340535 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.037950230852 eV TrLogG= -407.466308887083 eV Ratio to renormalize= 1.000732892336 rho-rho_expected=-0.016111823162 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 67) Finished k-point number 136 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964757031992555 0.940614872994538 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001407 tlogG= -0.008041 logG= -0.009448 Density= 0.035283 ETOT(band)= -0.039104 trlgG= -0.049007 logG= -0.009448 TDE= -0.057019 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004354 tlogG= -0.023963 logG= -0.028317 Density= 0.106081 ETOT(band)= -0.117203 trlgG= -0.146779 logG= -0.028317 TDE= -0.170956 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004626 tlogG= -0.023194 logG= -0.027820 Density= 0.106652 ETOT(band)= -0.116698 trlgG= -0.145568 logG= -0.027820 TDE= -0.170524 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004739 tlogG= -0.023488 logG= -0.028227 Density= 0.106690 ETOT(band)= -0.116889 trlgG= -0.146051 logG= -0.028227 TDE= -0.170619 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.022395 logG= -0.027410 Density= 0.107556 ETOT(band)= -0.116033 trlgG= -0.144535 logG= -0.027410 TDE= -0.170349 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.007301 logG= -0.008991 Density= 0.035817 ETOT(band)= -0.038599 trlgG= -0.047941 logG= -0.008991 TDE= -0.056674 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004823 tlogG= -0.020973 logG= -0.025796 Density= 0.108640 ETOT(band)= -0.114353 trlgG= -0.141752 logG= -0.025796 TDE= -0.169716 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.021805 logG= -0.026875 Density= 0.107711 ETOT(band)= -0.115603 trlgG= -0.143658 logG= -0.026875 TDE= -0.170084 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002423 tlogG= -0.012076 logG= -0.014499 Density= 0.053545 ETOT(band)= -0.058582 trlgG= -0.073676 logG= -0.014499 TDE= -0.085673 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002605 tlogG= -0.012026 logG= -0.014631 Density= 0.053725 ETOT(band)= -0.058569 trlgG= -0.073733 logG= -0.014631 TDE= -0.085688 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.011977 logG= -0.014537 Density= 0.054102 ETOT(band)= -0.058328 trlgG= -0.073592 logG= -0.014537 TDE= -0.085827 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023750 logG= -0.028904 Density= 0.108106 ETOT(band)= -0.116606 trlgG= -0.146911 logG= -0.028904 TDE= -0.171504 logGD-logG0= -0.005149 tlogG= -0.023416 logG= -0.028565 Density= 0.108059 ETOT(band)= -0.116444 trlgG= -0.146375 logG= -0.028565 TDE= -0.171282 logGD-logG0= -0.005108 tlogG= -0.022968 logG= -0.028076 Density= 0.108062 ETOT(band)= -0.116174 trlgG= -0.145600 logG= -0.028076 TDE= -0.170999 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.022442 logG= -0.027482 Density= 0.108130 ETOT(band)= -0.115801 trlgG= -0.144652 logG= -0.027482 TDE= -0.170678 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002630 tlogG= -0.011981 logG= -0.014611 Density= 0.053946 ETOT(band)= -0.058450 trlgG= -0.073715 logG= -0.014611 TDE= -0.085799 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023858 logG= -0.028985 logGD-logG0= -0.005235 tlogG= -0.023954 logG= -0.029189 Density= 0.107367 ETOT(band)= -0.117125 trlgG= -0.147338 logG= -0.029189 TDE= -0.171280 Density= 0.108179 ETOT(band)= -0.116616 trlgG= -0.147040 logG= -0.028985 TDE= -0.171587 logGD-logG0= -0.005325 tlogG= -0.024121 logG= -0.029446 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.024074 logG= -0.029367 Density= 0.107737 ETOT(band)= -0.117133 trlgG= -0.147798 logG= -0.029446 TDE= -0.171666 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107814 ETOT(band)= -0.117044 trlgG= -0.147672 logG= -0.029367 TDE= -0.171657 logGD-logG0= -0.005130 tlogG= -0.023591 logG= -0.028722 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108132 ETOT(band)= -0.116490 trlgG= -0.146619 logG= -0.028722 TDE= -0.171406 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004735 trlgG= -0.005855 logG= -0.001048 TDE= -0.007055 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002328 tlogG= -0.011877 logG= -0.014205 Density= 0.053521 ETOT(band)= -0.058438 trlgG= -0.073314 logG= -0.014205 TDE= -0.085594 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002334 tlogG= -0.011441 logG= -0.013775 Density= 0.053697 ETOT(band)= -0.058106 trlgG= -0.072548 logG= -0.013775 TDE= -0.085344 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023857 logG= -0.029135 Density= 0.107842 ETOT(band)= -0.116870 trlgG= -0.147286 logG= -0.029135 TDE= -0.171516 logGD-logG0= -0.009478 tlogG= -0.045734 logG= -0.055213 Density= 0.214861 ETOT(band)= -0.232449 trlgG= -0.290196 logG= -0.055213 TDE= -0.341308 logGD-logG0= -0.005316 tlogG= -0.023566 logG= -0.028882 logGD-logG0= -0.009795 tlogG= -0.048219 logG= -0.058014 Density= 0.107726 ETOT(band)= -0.116774 trlgG= -0.146871 logG= -0.028882 TDE= -0.171297 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214244 ETOT(band)= -0.234295 trlgG= -0.294594 logG= -0.058014 TDE= -0.342599 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007808 logG= -0.009295 Density= 0.035463 ETOT(band)= -0.038951 trlgG= -0.048641 logG= -0.009295 TDE= -0.056895 logGD-logG0= -0.009120 tlogG= -0.047608 logG= -0.056728 Density= 0.212754 ETOT(band)= -0.234199 trlgG= -0.293099 logG= -0.056728 TDE= -0.341652 logGD-logG0= -0.009759 tlogG= -0.045565 logG= -0.055324 Density= 0.214201 ETOT(band)= -0.232804 trlgG= -0.290379 logG= -0.055324 TDE= -0.341053 logGD-logG0= -0.009942 tlogG= -0.047876 logG= -0.057818 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213808 ETOT(band)= -0.234336 trlgG= -0.294286 logG= -0.057818 TDE= -0.342272 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009662 tlogG= -0.047135 logG= -0.056797 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213603 ETOT(band)= -0.233893 trlgG= -0.293024 logG= -0.056797 TDE= -0.341928 logGD-logG0= -0.009823 tlogG= -0.047130 logG= -0.056953 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213614 ETOT(band)= -0.233937 trlgG= -0.292815 logG= -0.056953 TDE= -0.341569 logGD-logG0= -0.010472 tlogG= -0.048056 logG= -0.058528 logGD-logG0= -0.009551 tlogG= -0.047906 logG= -0.057457 Density= 0.214920 ETOT(band)= -0.234266 trlgG= -0.294939 logG= -0.058528 TDE= -0.342764 Density= 0.213106 ETOT(band)= -0.234406 trlgG= -0.293744 logG= -0.057457 TDE= -0.341742 logGD-logG0= -0.009433 tlogG= -0.047423 logG= -0.056856 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010517 tlogG= -0.047721 logG= -0.058239 Density= 0.214603 ETOT(band)= -0.234215 trlgG= -0.294430 logG= -0.058239 TDE= -0.342388 Density= 0.214152 ETOT(band)= -0.233719 trlgG= -0.293149 logG= -0.056856 TDE= -0.342266 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004328 tlogG= -0.024040 logG= -0.028368 logGD-logG0= -0.010618 tlogG= -0.046851 logG= -0.057469 Density= 0.215280 ETOT(band)= -0.233473 trlgG= -0.293264 logG= -0.057469 TDE= -0.342327 logGD-logG0= -0.010410 tlogG= -0.047282 logG= -0.057693 Density= 0.214103 ETOT(band)= -0.234113 trlgG= -0.293513 logG= -0.057693 TDE= -0.341769 Density= 0.106029 ETOT(band)= -0.117247 trlgG= -0.146893 logG= -0.028368 TDE= -0.170994 logGD-logG0= -0.010607 tlogG= -0.047503 logG= -0.058110 logGD-logG0= -0.010532 tlogG= -0.047916 logG= -0.058448 Density= 0.215752 ETOT(band)= -0.233822 trlgG= -0.294865 logG= -0.058448 TDE= -0.343182 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023937 logG= -0.029077 Density= 0.108158 ETOT(band)= -0.116680 trlgG= -0.147189 logG= -0.029077 TDE= -0.171634 logGD-logG0= -0.004957 tlogG= -0.022154 logG= -0.027111 Density= 0.215554 ETOT(band)= -0.233707 trlgG= -0.294304 logG= -0.058110 TDE= -0.342861 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010178 tlogG= -0.046385 logG= -0.056563 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010667 tlogG= -0.048119 logG= -0.058786 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004551 tlogG= -0.024034 logG= -0.028585 Density= 0.215063 ETOT(band)= -0.233084 trlgG= -0.291822 logG= -0.056563 TDE= -0.341682 Density= 0.106302 ETOT(band)= -0.117233 trlgG= -0.146899 logG= -0.028585 TDE= -0.170917 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215275 ETOT(band)= -0.234281 trlgG= -0.295401 logG= -0.058786 TDE= -0.343145 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108286 ETOT(band)= -0.115494 trlgG= -0.144042 logG= -0.027111 TDE= -0.170517 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.024057 logG= -0.029343 Density= 0.107567 ETOT(band)= -0.117138 trlgG= -0.147610 logG= -0.029343 TDE= -0.171498 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.024080 logG= -0.029079 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107302 ETOT(band)= -0.117105 trlgG= -0.147232 logG= -0.029079 TDE= -0.171251 logGD-logG0= -0.005292 tlogG= -0.023671 logG= -0.028963 logGD-logG0= -0.005318 tlogG= -0.023888 logG= -0.029205 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107153 ETOT(band)= -0.117075 trlgG= -0.146944 logG= -0.028963 TDE= -0.171005 Density= 0.107677 ETOT(band)= -0.117003 trlgG= -0.147394 logG= -0.029205 TDE= -0.171472 logGD-logG0= -0.005035 tlogG= -0.022719 logG= -0.027754 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108176 ETOT(band)= -0.115937 trlgG= -0.145088 logG= -0.027754 TDE= -0.170865 logGD-logG0= -0.005100 tlogG= -0.023201 logG= -0.028302 Density= 0.108122 ETOT(band)= -0.116267 trlgG= -0.145955 logG= -0.028302 TDE= -0.171158 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004686 tlogG= -0.023656 logG= -0.028342 Density= 0.106513 ETOT(band)= -0.117037 trlgG= -0.146483 logG= -0.028342 TDE= -0.170849 logGD-logG0= -0.004867 tlogG= -0.022836 logG= -0.027703 Density= 0.107671 ETOT(band)= -0.116161 trlgG= -0.145019 logG= -0.027703 TDE= -0.170597 logGD-logG0= -0.004712 tlogG= -0.022978 logG= -0.027690 logGD-logG0= -0.004911 tlogG= -0.023880 logG= -0.028790 logGD-logG0= -0.005004 tlogG= -0.023630 logG= -0.028634 Density= 0.106897 ETOT(band)= -0.117005 trlgG= -0.146395 logG= -0.028634 TDE= -0.170659 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106674 ETOT(band)= -0.117190 trlgG= -0.147009 logG= -0.028790 TDE= -0.171006 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004714 tlogG= -0.023674 logG= -0.028388 Density= 0.106894 ETOT(band)= -0.116917 trlgG= -0.146585 logG= -0.028388 TDE= -0.171093 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106788 ETOT(band)= -0.116566 trlgG= -0.145304 logG= -0.027690 TDE= -0.170458 logGD-logG0= -0.004887 tlogG= -0.024057 logG= -0.028943 logGD-logG0= -0.005116 tlogG= -0.022861 logG= -0.027977 Density= 0.107539 ETOT(band)= -0.116366 trlgG= -0.145433 logG= -0.027977 TDE= -0.170671 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106976 ETOT(band)= -0.117169 trlgG= -0.147261 logG= -0.028943 TDE= -0.171255 logGD-logG0= -0.004835 tlogG= -0.023675 logG= -0.028510 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107300 ETOT(band)= -0.116794 trlgG= -0.146490 logG= -0.028510 TDE= -0.171077 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009863 tlogG= -0.045623 logG= -0.055486 Density= 0.214995 ETOT(band)= -0.232523 trlgG= -0.290186 logG= -0.055486 TDE= -0.341090 logGD-logG0= -0.004744 tlogG= -0.022839 logG= -0.027584 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107217 ETOT(band)= -0.116309 trlgG= -0.145149 logG= -0.027584 TDE= -0.170622 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002403 tlogG= -0.010418 logG= -0.012821 Density= 0.054343 ETOT(band)= -0.057103 trlgG= -0.070736 logG= -0.012821 TDE= -0.084807 logGD-logG0= -0.005267 tlogG= -0.024046 logG= -0.029313 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107874 ETOT(band)= -0.116976 trlgG= -0.147583 logG= -0.029313 TDE= -0.171651 logGD-logG0= -0.004992 tlogG= -0.021859 logG= -0.026851 Density= 0.108251 ETOT(band)= -0.115310 trlgG= -0.143593 logG= -0.026851 TDE= -0.170310 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010321 tlogG= -0.047953 logG= -0.058274 Density= 0.214922 ETOT(band)= -0.234121 trlgG= -0.294522 logG= -0.058274 TDE= -0.342602 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010554 tlogG= -0.047989 logG= -0.058543 Density= 0.214957 ETOT(band)= -0.234257 trlgG= -0.294966 logG= -0.058543 TDE= -0.342795 logGD-logG0= -0.010065 tlogG= -0.048004 logG= -0.058069 Density= 0.214376 ETOT(band)= -0.234240 trlgG= -0.294342 logG= -0.058069 TDE= -0.342357 logGD-logG0= -0.001624 tlogG= -0.006986 logG= -0.008611 logGD-logG0= -0.010183 tlogG= -0.047635 logG= -0.057818 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002463 tlogG= -0.010834 logG= -0.013297 Density= 0.213789 ETOT(band)= -0.234323 trlgG= -0.294039 logG= -0.057818 TDE= -0.342014 logGD-logG0= -0.010382 tlogG= -0.047761 logG= -0.058143 Density= 0.054026 ETOT(band)= -0.057623 trlgG= -0.071586 logG= -0.013297 TDE= -0.085023 Density= 0.214501 ETOT(band)= -0.234210 trlgG= -0.294262 logG= -0.058143 TDE= -0.342265 Density= 0.036172 ETOT(band)= -0.038148 trlgG= -0.047276 logG= -0.008611 TDE= -0.056566 logGD-logG0= -0.005308 tlogG= -0.023181 logG= -0.028489 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107607 ETOT(band)= -0.116614 trlgG= -0.146242 logG= -0.028489 TDE= -0.171003 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004434 tlogG= -0.023729 logG= -0.028162 Density= 0.212916 ETOT(band)= -0.233748 trlgG= -0.291979 logG= -0.028162 TDE= -0.170834 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023878 logG= -0.028482 logGD-logG0= -0.001186 tlogG= -0.005167 logG= -0.006353 Density= 0.062494 ETOT(band)= -0.067589 trlgG= -0.084267 logG= -0.006353 TDE= -0.042372 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213113 ETOT(band)= -0.234022 trlgG= -0.292706 logG= -0.028482 TDE= -0.170837 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010587 tlogG= -0.047865 logG= -0.058452 Density= 0.215623 ETOT(band)= -0.233896 trlgG= -0.294868 logG= -0.058452 TDE= -0.343118 logGD-logG0= -0.010576 tlogG= -0.047394 logG= -0.057970 Density= 0.215320 ETOT(band)= -0.233750 trlgG= -0.294066 logG= -0.057970 TDE= -0.342647 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.047199 logG= -0.056988 Density= 0.214319 ETOT(band)= -0.233679 trlgG= -0.292921 logG= -0.056988 TDE= -0.341989 logGD-logG0= -0.010090 tlogG= -0.047126 logG= -0.057216 Density= 0.214999 ETOT(band)= -0.233486 trlgG= -0.292840 logG= -0.057216 TDE= -0.342017 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.022893 logG= -0.027859 Density= 0.214638 ETOT(band)= -0.232548 trlgG= -0.289890 logG= -0.027859 TDE= -0.170485 logGD-logG0= -0.001571 tlogG= -0.007585 logG= -0.009156 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071443 ETOT(band)= -0.077398 trlgG= -0.096223 logG= -0.009156 TDE= -0.056756 logGD-logG0= -0.010015 tlogG= -0.043362 logG= -0.053377 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216129 ETOT(band)= -0.230605 trlgG= -0.286667 logG= -0.053377 TDE= -0.340241 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004905 tlogG= -0.021548 logG= -0.026453 Density= 0.108442 ETOT(band)= -0.114942 trlgG= -0.142911 logG= -0.026453 TDE= -0.170120 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004489 tlogG= -0.023575 logG= -0.028064 Density= 0.212445 ETOT(band)= -0.234160 trlgG= -0.292958 logG= -0.028064 TDE= -0.170749 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.022462 logG= -0.027376 Density= 0.214865 ETOT(band)= -0.231810 trlgG= -0.288244 logG= -0.027376 TDE= -0.170234 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.021681 logG= -0.026692 Density= 0.107855 ETOT(band)= -0.115410 trlgG= -0.143347 logG= -0.026692 TDE= -0.170028 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004989 tlogG= -0.021335 logG= -0.026324 Density= 0.216878 ETOT(band)= -0.229309 trlgG= -0.284460 logG= -0.026324 TDE= -0.169946 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001258 tlogG= -0.005744 logG= -0.007002 Density= 0.080578 ETOT(band)= -0.087452 trlgG= -0.109686 logG= -0.007002 TDE= -0.042760 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005615 logG= -0.006853 Density= 0.080780 ETOT(band)= -0.087021 trlgG= -0.108681 logG= -0.006853 TDE= -0.042683 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005852 logG= -0.007124 Density= 0.080591 ETOT(band)= -0.087667 trlgG= -0.110241 logG= -0.007124 TDE= -0.042825 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005936 logG= -0.007212 Density= 0.080776 ETOT(band)= -0.087700 trlgG= -0.110438 logG= -0.007212 TDE= -0.042880 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.022425 logG= -0.027542 Density= 0.216224 ETOT(band)= -0.231421 trlgG= -0.288791 logG= -0.027542 TDE= -0.170619 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.022954 logG= -0.028133 Density= 0.216080 ETOT(band)= -0.232219 trlgG= -0.290779 logG= -0.028133 TDE= -0.170955 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005980 logG= -0.007256 logGD-logG0= -0.005207 tlogG= -0.023401 logG= -0.028608 Density= 0.081007 ETOT(band)= -0.087601 trlgG= -0.110489 logG= -0.007256 TDE= -0.042910 Density= 0.216054 ETOT(band)= -0.232793 trlgG= -0.292395 logG= -0.028608 TDE= -0.171242 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.023232 logG= -0.028015 logGD-logG0= -0.004919 tlogG= -0.023869 logG= -0.028788 Density= 0.213625 ETOT(band)= -0.234165 trlgG= -0.293217 logG= -0.028788 TDE= -0.170848 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213332 ETOT(band)= -0.233773 trlgG= -0.292437 logG= -0.028015 TDE= -0.170799 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004835 tlogG= -0.023824 logG= -0.028659 Density= 0.213409 ETOT(band)= -0.234306 trlgG= -0.293954 logG= -0.028659 TDE= -0.171103 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023181 logG= -0.028351 Density= 0.214712 ETOT(band)= -0.233101 trlgG= -0.291422 logG= -0.028351 TDE= -0.170673 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004579 tlogG= -0.023961 logG= -0.028540 Density= 0.212637 ETOT(band)= -0.234436 trlgG= -0.293703 logG= -0.028540 TDE= -0.170885 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.023944 logG= -0.029023 Density= 0.214183 ETOT(band)= -0.234246 trlgG= -0.294121 logG= -0.029023 TDE= -0.171118 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004772 tlogG= -0.023993 logG= -0.028766 Density= 0.321330 ETOT(band)= -0.351335 trlgG= -0.441649 logG= -0.028766 TDE= -0.171280 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023994 logG= -0.028734 Density= 0.213961 ETOT(band)= -0.234239 trlgG= -0.294339 logG= -0.028734 TDE= -0.171285 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005044 tlogG= -0.024150 logG= -0.029194 Density= 0.322213 ETOT(band)= -0.351441 trlgG= -0.442323 logG= -0.029194 TDE= -0.171285 logGD-logG0= -0.004651 tlogG= -0.023358 logG= -0.028009 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.024110 logG= -0.029426 Density= 0.214023 ETOT(band)= -0.233526 trlgG= -0.292544 logG= -0.028009 TDE= -0.170962 Density= 0.215573 ETOT(band)= -0.234153 trlgG= -0.295440 logG= -0.029426 TDE= -0.171666 logGD-logG0= -0.010402 tlogG= -0.047760 logG= -0.058162 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324138 ETOT(band)= -0.350116 trlgG= -0.441309 logG= -0.058162 TDE= -0.343139 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.024144 logG= -0.029163 Density= 0.214587 ETOT(band)= -0.234315 trlgG= -0.294733 logG= -0.029163 TDE= -0.171290 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.023943 logG= -0.029123 Density= 0.216248 ETOT(band)= -0.233369 trlgG= -0.294306 logG= -0.029123 TDE= -0.171623 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.045601 logG= -0.055776 Density= 0.323823 ETOT(band)= -0.348153 trlgG= -0.435255 logG= -0.055776 TDE= -0.341563 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005223 tlogG= -0.023988 logG= -0.029211 Density= 0.215540 ETOT(band)= -0.233997 trlgG= -0.295024 logG= -0.029211 TDE= -0.171632 logGD-logG0= -0.005250 tlogG= -0.024070 logG= -0.029320 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322839 ETOT(band)= -0.351409 trlgG= -0.442972 logG= -0.029320 TDE= -0.171479 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.047208 logG= -0.057658 logGD-logG0= -0.004683 tlogG= -0.023355 logG= -0.028038 Density= 0.323917 ETOT(band)= -0.349751 trlgG= -0.439962 logG= -0.057658 TDE= -0.342747 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321398 ETOT(band)= -0.350287 trlgG= -0.439070 logG= -0.028038 TDE= -0.170954 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023749 logG= -0.028948 logGD-logG0= -0.005257 tlogG= -0.023786 logG= -0.029043 logGD-logG0= -0.010448 tlogG= -0.046387 logG= -0.056834 Density= 0.215185 ETOT(band)= -0.233906 trlgG= -0.294369 logG= -0.029043 TDE= -0.171480 Density= 0.323778 ETOT(band)= -0.349096 trlgG= -0.437876 logG= -0.056834 TDE= -0.342189 logGD-logG0= -0.001433 tlogG= -0.007962 logG= -0.009395 Density= 0.070808 ETOT(band)= -0.078005 trlgG= -0.097526 logG= -0.009395 TDE= -0.056980 Density= 0.216136 ETOT(band)= -0.233171 trlgG= -0.293603 logG= -0.028948 TDE= -0.171481 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.023885 logG= -0.029250 Density= 0.215499 ETOT(band)= -0.233899 trlgG= -0.294751 logG= -0.029250 TDE= -0.171489 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.023945 logG= -0.029294 Density= 0.323443 ETOT(band)= -0.350867 trlgG= -0.442406 logG= -0.029294 TDE= -0.171537 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008961 tlogG= -0.048073 logG= -0.057033 logGD-logG0= -0.005413 tlogG= -0.023671 logG= -0.029085 Density= 0.215259 ETOT(band)= -0.233753 trlgG= -0.294054 logG= -0.029085 TDE= -0.171312 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425190 ETOT(band)= -0.468672 trlgG= -0.586895 logG= -0.057033 TDE= -0.341887 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.023986 logG= -0.029173 logGD-logG0= -0.004906 tlogG= -0.021285 logG= -0.026191 Density= 0.162543 ETOT(band)= -0.173085 trlgG= -0.216054 logG= -0.026191 TDE= -0.169933 Density= 0.216214 ETOT(band)= -0.233473 trlgG= -0.294540 logG= -0.029173 TDE= -0.171650 logGD-logG0= -0.009641 tlogG= -0.047815 logG= -0.057456 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427716 ETOT(band)= -0.468464 trlgG= -0.588264 logG= -0.057456 TDE= -0.342375 logGD-logG0= -0.005252 tlogG= -0.023468 logG= -0.028720 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215064 ETOT(band)= -0.233472 trlgG= -0.293106 logG= -0.028720 TDE= -0.171223 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009448 tlogG= -0.046689 logG= -0.056137 Density= 0.427563 ETOT(band)= -0.466440 trlgG= -0.582262 logG= -0.056137 TDE= -0.341328 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004302 tlogG= -0.024120 logG= -0.028422 Density= 0.211995 ETOT(band)= -0.234545 trlgG= -0.293910 logG= -0.028422 TDE= -0.171033 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010144 tlogG= -0.048123 logG= -0.058267 Density= 0.428991 ETOT(band)= -0.468565 trlgG= -0.589028 logG= -0.058267 TDE= -0.342420 logGD-logG0= -0.010256 tlogG= -0.047643 logG= -0.057899 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427972 ETOT(band)= -0.468445 trlgG= -0.587595 logG= -0.057899 TDE= -0.342016 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005437 tlogG= -0.023340 logG= -0.028777 Density= 0.214955 ETOT(band)= -0.233498 trlgG= -0.292916 logG= -0.028777 TDE= -0.171018 logGD-logG0= -0.005075 tlogG= -0.023831 logG= -0.028907 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215348 ETOT(band)= -0.233900 trlgG= -0.294474 logG= -0.028907 TDE= -0.171168 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005464 logG= -0.006688 Density= 0.081145 ETOT(band)= -0.086405 trlgG= -0.107439 logG= -0.006688 TDE= -0.042585 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004792 tlogG= -0.022314 logG= -0.027106 Density= 0.214872 ETOT(band)= -0.232100 trlgG= -0.289289 logG= -0.027106 TDE= -0.170307 logGD-logG0= -0.009502 tlogG= -0.046582 logG= -0.056084 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010756 tlogG= -0.047668 logG= -0.058424 Density= 0.427772 ETOT(band)= -0.467160 trlgG= -0.584868 logG= -0.056084 TDE= -0.341743 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430797 ETOT(band)= -0.467750 trlgG= -0.589101 logG= -0.058424 TDE= -0.342887 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047625 logG= -0.057277 Density= 0.426339 ETOT(band)= -0.468689 trlgG= -0.587410 logG= -0.057277 TDE= -0.341907 logGD-logG0= -0.009606 tlogG= -0.047744 logG= -0.057350 logGD-logG0= -0.010690 tlogG= -0.048014 logG= -0.058704 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323026 ETOT(band)= -0.351199 trlgG= -0.442667 logG= -0.058704 TDE= -0.343134 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426846 ETOT(band)= -0.468234 trlgG= -0.586255 logG= -0.057350 TDE= -0.341608 logGD-logG0= -0.010317 tlogG= -0.046904 logG= -0.057220 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429571 ETOT(band)= -0.466767 trlgG= -0.584623 logG= -0.057220 TDE= -0.341731 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001581 tlogG= -0.006868 logG= -0.008449 Density= 0.040823 ETOT(band)= -0.042696 trlgG= -0.052830 logG= -0.008449 TDE= -0.056480 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005029 tlogG= -0.023230 logG= -0.028259 Density= 0.321467 ETOT(band)= -0.350792 trlgG= -0.439922 logG= -0.028259 TDE= -0.170909 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010716 tlogG= -0.047241 logG= -0.057956 Density= 0.430180 ETOT(band)= -0.467388 trlgG= -0.587273 logG= -0.057956 TDE= -0.342396 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009682 tlogG= -0.046579 logG= -0.056260 Density= 0.322474 ETOT(band)= -0.349232 trlgG= -0.436700 logG= -0.056260 TDE= -0.341717 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.022314 logG= -0.027147 Density= 0.322641 ETOT(band)= -0.348199 trlgG= -0.434309 logG= -0.027147 TDE= -0.170301 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010488 tlogG= -0.048044 logG= -0.058532 logGD-logG0= -0.010313 tlogG= -0.047931 logG= -0.058244 Density= 0.428894 ETOT(band)= -0.468528 trlgG= -0.588677 logG= -0.058244 TDE= -0.342263 Density= 0.429841 ETOT(band)= -0.468393 trlgG= -0.589466 logG= -0.058532 TDE= -0.342764 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010278 tlogG= -0.048195 logG= -0.058473 Density= 0.429734 ETOT(band)= -0.468564 trlgG= -0.589795 logG= -0.058473 TDE= -0.342639 logGD-logG0= -0.009817 tlogG= -0.047828 logG= -0.057644 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428824 ETOT(band)= -0.468231 trlgG= -0.588226 logG= -0.057644 TDE= -0.342360 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.044594 logG= -0.054558 Density= 0.324065 ETOT(band)= -0.346881 trlgG= -0.432239 logG= -0.054558 TDE= -0.340884 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.047701 logG= -0.058358 Density= 0.430453 ETOT(band)= -0.467810 trlgG= -0.588745 logG= -0.058358 TDE= -0.342780 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010680 tlogG= -0.047993 logG= -0.058673 Density= 0.431040 ETOT(band)= -0.468032 trlgG= -0.590094 logG= -0.058673 TDE= -0.343152 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001205 tlogG= -0.005303 logG= -0.006508 Density= 0.081506 ETOT(band)= -0.085734 trlgG= -0.106276 logG= -0.006508 TDE= -0.042474 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009998 tlogG= -0.047534 logG= -0.057532 Density= 0.428290 ETOT(band)= -0.467787 trlgG= -0.586629 logG= -0.057532 TDE= -0.342060 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009931 tlogG= -0.046374 logG= -0.056306 Density= 0.429216 ETOT(band)= -0.465855 trlgG= -0.581923 logG= -0.056306 TDE= -0.341438 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.047543 logG= -0.057784 Density= 0.429704 ETOT(band)= -0.467413 trlgG= -0.586554 logG= -0.057784 TDE= -0.342176 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001693 tlogG= -0.007112 logG= -0.008804 Density= 0.072181 ETOT(band)= -0.076524 trlgG= -0.094902 logG= -0.008804 TDE= -0.056640 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004946 tlogG= -0.022279 logG= -0.027225 Density= 0.214097 ETOT(band)= -0.232594 trlgG= -0.289649 logG= -0.027225 TDE= -0.170221 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005079 tlogG= -0.021864 logG= -0.026943 Density= 0.216482 ETOT(band)= -0.230420 trlgG= -0.286669 logG= -0.026943 TDE= -0.170279 logGD-logG0= -0.009812 tlogG= -0.044599 logG= -0.054411 Density= 0.431304 ETOT(band)= -0.462364 trlgG= -0.575121 logG= -0.054411 TDE= -0.340523 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004947 tlogG= -0.021190 logG= -0.026137 Density= 0.216198 ETOT(band)= -0.230175 trlgG= -0.285723 logG= -0.026137 TDE= -0.169852 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.024778149277 eV TrLogG= -407.445194172295 eV Ratio to renormalize= 1.000748428985 rho-rho_expected=-0.016453123673 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964773010408809 0.940641999955586 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002327 tlogG= -0.011878 logG= -0.014205 Density= 0.053522 ETOT(band)= -0.058439 trlgG= -0.073316 logG= -0.014205 TDE= -0.085596 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002334 tlogG= -0.011442 logG= -0.013776 Density= 0.053698 ETOT(band)= -0.058107 trlgG= -0.072550 logG= -0.013776 TDE= -0.085346 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.022155 logG= -0.027111 Density= 0.108288 ETOT(band)= -0.115497 trlgG= -0.144045 logG= -0.027111 TDE= -0.170521 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023202 logG= -0.028302 Density= 0.108123 ETOT(band)= -0.116270 trlgG= -0.145959 logG= -0.028302 TDE= -0.171162 logGD-logG0= -0.004911 tlogG= -0.023880 logG= -0.028791 Density= 0.106675 ETOT(band)= -0.117193 trlgG= -0.147013 logG= -0.028791 TDE= -0.171011 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004886 tlogG= -0.024058 logG= -0.028944 Density= 0.106977 ETOT(band)= -0.117172 trlgG= -0.147265 logG= -0.028944 TDE= -0.171259 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023182 logG= -0.028489 Density= 0.107608 ETOT(band)= -0.116617 trlgG= -0.146246 logG= -0.028489 TDE= -0.171007 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002463 tlogG= -0.010835 logG= -0.013297 Density= 0.054026 ETOT(band)= -0.057625 trlgG= -0.071587 logG= -0.013297 TDE= -0.085025 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007808 logG= -0.009295 Density= 0.035464 ETOT(band)= -0.038952 trlgG= -0.048643 logG= -0.009295 TDE= -0.056897 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004327 tlogG= -0.024041 logG= -0.028368 Density= 0.106030 ETOT(band)= -0.117250 trlgG= -0.146897 logG= -0.028368 TDE= -0.170998 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002605 tlogG= -0.012026 logG= -0.014631 logGD-logG0= -0.002423 tlogG= -0.012076 logG= -0.014499 Density= 0.053545 ETOT(band)= -0.058583 trlgG= -0.073678 logG= -0.014499 TDE= -0.085675 Density= 0.053725 ETOT(band)= -0.058570 trlgG= -0.073734 logG= -0.014631 TDE= -0.085690 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004712 tlogG= -0.022979 logG= -0.027691 Density= 0.106789 ETOT(band)= -0.116569 trlgG= -0.145308 logG= -0.027691 TDE= -0.170462 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001407 tlogG= -0.008041 logG= -0.009448 Density= 0.035283 ETOT(band)= -0.039105 trlgG= -0.049009 logG= -0.009448 TDE= -0.057021 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023751 logG= -0.028904 logGD-logG0= -0.005107 tlogG= -0.022969 logG= -0.028076 Density= 0.108063 ETOT(band)= -0.116177 trlgG= -0.145604 logG= -0.028076 TDE= -0.171003 Density= 0.108108 ETOT(band)= -0.116609 trlgG= -0.146914 logG= -0.028904 TDE= -0.171508 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.011978 logG= -0.014537 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054103 ETOT(band)= -0.058329 trlgG= -0.073594 logG= -0.014537 TDE= -0.085829 logGD-logG0= -0.005148 tlogG= -0.023417 logG= -0.028566 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108060 ETOT(band)= -0.116447 trlgG= -0.146379 logG= -0.028566 TDE= -0.171286 logGD-logG0= -0.005139 tlogG= -0.023938 logG= -0.029077 Density= 0.108159 ETOT(band)= -0.116683 trlgG= -0.147192 logG= -0.029077 TDE= -0.171638 logGD-logG0= -0.005285 tlogG= -0.024058 logG= -0.029343 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107569 ETOT(band)= -0.117141 trlgG= -0.147614 logG= -0.029343 TDE= -0.171502 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004354 tlogG= -0.023964 logG= -0.028318 Density= 0.106082 ETOT(band)= -0.117206 trlgG= -0.146783 logG= -0.028318 TDE= -0.170960 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004551 tlogG= -0.024035 logG= -0.028586 logGD-logG0= -0.005039 tlogG= -0.022443 logG= -0.027482 Density= 0.106303 ETOT(band)= -0.117236 trlgG= -0.146903 logG= -0.028586 TDE= -0.170922 logGD-logG0= -0.002629 tlogG= -0.011982 logG= -0.014611 Density= 0.108131 ETOT(band)= -0.115804 trlgG= -0.144655 logG= -0.027482 TDE= -0.170682 Density= 0.053947 ETOT(band)= -0.058451 trlgG= -0.073716 logG= -0.014611 TDE= -0.085801 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.024122 logG= -0.029447 Density= 0.107738 ETOT(band)= -0.117135 trlgG= -0.147802 logG= -0.029447 TDE= -0.171670 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023672 logG= -0.028964 logGD-logG0= -0.001690 tlogG= -0.007301 logG= -0.008991 Density= 0.035818 ETOT(band)= -0.038600 trlgG= -0.047942 logG= -0.008991 TDE= -0.056675 Density= 0.107154 ETOT(band)= -0.117078 trlgG= -0.146948 logG= -0.028964 TDE= -0.171009 logGD-logG0= -0.005127 tlogG= -0.023859 logG= -0.028985 Density= 0.108180 ETOT(band)= -0.116619 trlgG= -0.147043 logG= -0.028985 TDE= -0.171590 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005292 tlogG= -0.024076 logG= -0.029367 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107816 ETOT(band)= -0.117047 trlgG= -0.147676 logG= -0.029367 TDE= -0.171661 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.023630 logG= -0.028635 logGD-logG0= -0.005130 tlogG= -0.023592 logG= -0.028722 Density= 0.106898 ETOT(band)= -0.117008 trlgG= -0.146399 logG= -0.028635 TDE= -0.170663 logGD-logG0= -0.005235 tlogG= -0.023955 logG= -0.029189 Density= 0.107368 ETOT(band)= -0.117128 trlgG= -0.147342 logG= -0.029189 TDE= -0.171284 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108134 ETOT(band)= -0.116493 trlgG= -0.146623 logG= -0.028722 TDE= -0.171410 logGD-logG0= -0.005034 tlogG= -0.022720 logG= -0.027754 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108177 ETOT(band)= -0.115940 trlgG= -0.145091 logG= -0.027754 TDE= -0.170868 logGD-logG0= -0.004999 tlogG= -0.024080 logG= -0.029079 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022862 logG= -0.027977 Density= 0.107540 ETOT(band)= -0.116369 trlgG= -0.145436 logG= -0.027977 TDE= -0.170675 logGD-logG0= -0.005015 tlogG= -0.022396 logG= -0.027411 Density= 0.107557 ETOT(band)= -0.116036 trlgG= -0.144539 logG= -0.027411 TDE= -0.170353 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004713 tlogG= -0.023675 logG= -0.028388 Density= 0.106895 ETOT(band)= -0.116920 trlgG= -0.146589 logG= -0.028388 TDE= -0.171098 Density= 0.107303 ETOT(band)= -0.117108 trlgG= -0.147236 logG= -0.029079 TDE= -0.171255 logGD-logG0= -0.004685 tlogG= -0.023657 logG= -0.028342 Density= 0.106514 ETOT(band)= -0.117040 trlgG= -0.146487 logG= -0.028342 TDE= -0.170853 logGD-logG0= -0.005317 tlogG= -0.023889 logG= -0.029206 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107679 ETOT(band)= -0.117006 trlgG= -0.147398 logG= -0.029206 TDE= -0.171476 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.022837 logG= -0.027704 Density= 0.107672 ETOT(band)= -0.116164 trlgG= -0.145023 logG= -0.027704 TDE= -0.170601 logGD-logG0= -0.004739 tlogG= -0.023489 logG= -0.028228 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004835 tlogG= -0.023676 logG= -0.028511 Density= 0.107301 ETOT(band)= -0.116797 trlgG= -0.146494 logG= -0.028511 TDE= -0.171081 logGD-logG0= -0.004744 tlogG= -0.022840 logG= -0.027584 Density= 0.106691 ETOT(band)= -0.116892 trlgG= -0.146055 logG= -0.028228 TDE= -0.170623 Density= 0.107218 ETOT(band)= -0.116312 trlgG= -0.145153 logG= -0.027584 TDE= -0.170626 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.024047 logG= -0.029313 Density= 0.107875 ETOT(band)= -0.116979 trlgG= -0.147586 logG= -0.029313 TDE= -0.171655 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023858 logG= -0.029136 Density= 0.107844 ETOT(band)= -0.116872 trlgG= -0.147289 logG= -0.029136 TDE= -0.171520 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009477 tlogG= -0.045736 logG= -0.055213 logGD-logG0= -0.009794 tlogG= -0.048221 logG= -0.058015 Density= 0.214247 ETOT(band)= -0.234300 trlgG= -0.294602 logG= -0.058015 TDE= -0.342607 Density= 0.214864 ETOT(band)= -0.232454 trlgG= -0.290204 logG= -0.055213 TDE= -0.341316 logGD-logG0= -0.009120 tlogG= -0.047610 logG= -0.056729 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212756 ETOT(band)= -0.234206 trlgG= -0.293108 logG= -0.056729 TDE= -0.341661 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.023568 logG= -0.028883 Density= 0.107727 ETOT(band)= -0.116777 trlgG= -0.146875 logG= -0.028883 TDE= -0.171301 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009661 tlogG= -0.047137 logG= -0.056797 Density= 0.213605 ETOT(band)= -0.233899 trlgG= -0.293031 logG= -0.056797 TDE= -0.341936 logGD-logG0= -0.009941 tlogG= -0.047878 logG= -0.057819 Density= 0.213810 ETOT(band)= -0.234342 trlgG= -0.294294 logG= -0.057819 TDE= -0.342280 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009551 tlogG= -0.047907 logG= -0.057458 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213108 ETOT(band)= -0.234412 trlgG= -0.293752 logG= -0.057458 TDE= -0.341750 logGD-logG0= -0.009432 tlogG= -0.047424 logG= -0.056857 Density= 0.214154 ETOT(band)= -0.233725 trlgG= -0.293157 logG= -0.056857 TDE= -0.342274 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010381 tlogG= -0.047763 logG= -0.058144 Density= 0.214504 ETOT(band)= -0.234215 trlgG= -0.294270 logG= -0.058144 TDE= -0.342273 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001624 tlogG= -0.006987 logG= -0.008611 logGD-logG0= -0.009823 tlogG= -0.047131 logG= -0.056954 Density= 0.213616 ETOT(band)= -0.233943 trlgG= -0.292823 logG= -0.056954 TDE= -0.341577 logGD-logG0= -0.010064 tlogG= -0.048006 logG= -0.058070 Density= 0.036173 ETOT(band)= -0.038148 trlgG= -0.047278 logG= -0.008611 TDE= -0.056567 logGD-logG0= -0.010553 tlogG= -0.047990 logG= -0.058543 Density= 0.214378 ETOT(band)= -0.234246 trlgG= -0.294349 logG= -0.058070 TDE= -0.342365 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010183 tlogG= -0.047636 logG= -0.057819 Density= 0.213791 ETOT(band)= -0.234329 trlgG= -0.294046 logG= -0.057819 TDE= -0.342022 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010471 tlogG= -0.048057 logG= -0.058528 Density= 0.214959 ETOT(band)= -0.234263 trlgG= -0.294974 logG= -0.058543 TDE= -0.342803 logGD-logG0= -0.004823 tlogG= -0.020974 logG= -0.025796 Density= 0.108641 ETOT(band)= -0.114355 trlgG= -0.141755 logG= -0.025796 TDE= -0.169720 Density= 0.214923 ETOT(band)= -0.234272 trlgG= -0.294946 logG= -0.058528 TDE= -0.342772 logGD-logG0= -0.009862 tlogG= -0.045625 logG= -0.055487 logGD-logG0= -0.010320 tlogG= -0.047955 logG= -0.058275 Density= 0.214925 ETOT(band)= -0.234127 trlgG= -0.294530 logG= -0.058275 TDE= -0.342610 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214997 ETOT(band)= -0.232529 trlgG= -0.290194 logG= -0.055487 TDE= -0.341098 logGD-logG0= -0.010516 tlogG= -0.047723 logG= -0.058239 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214606 ETOT(band)= -0.234221 trlgG= -0.294438 logG= -0.058239 TDE= -0.342396 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.010418 logG= -0.012821 Density= 0.054344 ETOT(band)= -0.057104 trlgG= -0.070738 logG= -0.012821 TDE= -0.084809 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.047919 logG= -0.058448 Density= 0.215755 ETOT(band)= -0.233828 trlgG= -0.294872 logG= -0.058448 TDE= -0.343190 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010605 tlogG= -0.047505 logG= -0.058110 logGD-logG0= -0.010410 tlogG= -0.047284 logG= -0.057694 Density= 0.214106 ETOT(band)= -0.234119 trlgG= -0.293521 logG= -0.057694 TDE= -0.341778 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215557 ETOT(band)= -0.233713 trlgG= -0.294311 logG= -0.058110 TDE= -0.342869 logGD-logG0= -0.010617 tlogG= -0.046852 logG= -0.057470 Density= 0.215283 ETOT(band)= -0.233479 trlgG= -0.293272 logG= -0.057470 TDE= -0.342335 logGD-logG0= -0.009758 tlogG= -0.045567 logG= -0.055325 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214203 ETOT(band)= -0.232810 trlgG= -0.290387 logG= -0.055325 TDE= -0.341061 logGD-logG0= -0.010575 tlogG= -0.047395 logG= -0.057970 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215322 ETOT(band)= -0.233755 trlgG= -0.294073 logG= -0.057970 TDE= -0.342655 logGD-logG0= -0.010177 tlogG= -0.046387 logG= -0.056564 Density= 0.215065 ETOT(band)= -0.233090 trlgG= -0.291829 logG= -0.056564 TDE= -0.341690 logGD-logG0= -0.009788 tlogG= -0.047201 logG= -0.056989 Density= 0.214322 ETOT(band)= -0.233685 trlgG= -0.292928 logG= -0.056989 TDE= -0.341997 logGD-logG0= -0.010666 tlogG= -0.048120 logG= -0.058786 logGD-logG0= -0.010585 tlogG= -0.047867 logG= -0.058452 Density= 0.215625 ETOT(band)= -0.233902 trlgG= -0.294876 logG= -0.058452 TDE= -0.343126 Density= 0.215278 ETOT(band)= -0.234286 trlgG= -0.295409 logG= -0.058786 TDE= -0.343153 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004626 tlogG= -0.023195 logG= -0.027821 Density= 0.106652 ETOT(band)= -0.116701 trlgG= -0.145572 logG= -0.027821 TDE= -0.170528 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.021805 logG= -0.026875 Density= 0.107712 ETOT(band)= -0.115606 trlgG= -0.143662 logG= -0.026875 TDE= -0.170088 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010089 tlogG= -0.047127 logG= -0.057216 Density= 0.215002 ETOT(band)= -0.233492 trlgG= -0.292848 logG= -0.057216 TDE= -0.342025 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.021549 logG= -0.026454 Density= 0.108444 ETOT(band)= -0.114945 trlgG= -0.142914 logG= -0.026454 TDE= -0.170124 logGD-logG0= -0.004991 tlogG= -0.021860 logG= -0.026851 Density= 0.108252 ETOT(band)= -0.115313 trlgG= -0.143596 logG= -0.026851 TDE= -0.170314 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.021682 logG= -0.026692 Density= 0.107856 ETOT(band)= -0.115413 trlgG= -0.143351 logG= -0.026692 TDE= -0.170032 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010014 tlogG= -0.043364 logG= -0.053378 Density= 0.216131 ETOT(band)= -0.230611 trlgG= -0.286675 logG= -0.053378 TDE= -0.340249 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005616 logG= -0.006853 logGD-logG0= -0.001258 tlogG= -0.005744 logG= -0.007002 Density= 0.080781 ETOT(band)= -0.087023 trlgG= -0.108684 logG= -0.006853 TDE= -0.042684 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080579 ETOT(band)= -0.087454 trlgG= -0.109689 logG= -0.007002 TDE= -0.042761 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.022425 logG= -0.027542 Density= 0.216226 ETOT(band)= -0.231426 trlgG= -0.288798 logG= -0.027542 TDE= -0.170623 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005206 tlogG= -0.023402 logG= -0.028608 Density= 0.216057 ETOT(band)= -0.232798 trlgG= -0.292403 logG= -0.028608 TDE= -0.171246 logGD-logG0= -0.004739 tlogG= -0.023995 logG= -0.028735 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213964 ETOT(band)= -0.234245 trlgG= -0.294346 logG= -0.028735 TDE= -0.171289 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004835 tlogG= -0.023825 logG= -0.028660 Density= 0.213411 ETOT(band)= -0.234312 trlgG= -0.293962 logG= -0.028660 TDE= -0.171108 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023341 logG= -0.028777 Density= 0.214957 ETOT(band)= -0.233504 trlgG= -0.292924 logG= -0.028777 TDE= -0.171022 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005464 logG= -0.006688 Density= 0.081146 ETOT(band)= -0.086407 trlgG= -0.107442 logG= -0.006688 TDE= -0.042586 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001433 tlogG= -0.007962 logG= -0.009395 Density= 0.070809 ETOT(band)= -0.078007 trlgG= -0.097529 logG= -0.009395 TDE= -0.056982 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004301 tlogG= -0.024121 logG= -0.028422 Density= 0.211997 ETOT(band)= -0.234551 trlgG= -0.293919 logG= -0.028422 TDE= -0.171037 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005852 logG= -0.007125 Density= 0.080592 ETOT(band)= -0.087669 trlgG= -0.110244 logG= -0.007125 TDE= -0.042826 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005936 logG= -0.007213 Density= 0.080777 ETOT(band)= -0.087702 trlgG= -0.110441 logG= -0.007213 TDE= -0.042881 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001580 tlogG= -0.006869 logG= -0.008449 Density= 0.040823 ETOT(band)= -0.042697 trlgG= -0.052831 logG= -0.008449 TDE= -0.056481 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001571 tlogG= -0.007585 logG= -0.009156 Density= 0.071444 ETOT(band)= -0.077400 trlgG= -0.096225 logG= -0.009156 TDE= -0.056757 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005981 logG= -0.007256 Density= 0.081008 ETOT(band)= -0.087603 trlgG= -0.110492 logG= -0.007256 TDE= -0.042911 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023989 logG= -0.029211 Density= 0.215543 ETOT(band)= -0.234003 trlgG= -0.295031 logG= -0.029211 TDE= -0.171636 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023787 logG= -0.029043 Density= 0.215188 ETOT(band)= -0.233911 trlgG= -0.294376 logG= -0.029043 TDE= -0.171484 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023987 logG= -0.029173 Density= 0.216217 ETOT(band)= -0.233478 trlgG= -0.294546 logG= -0.029173 TDE= -0.171654 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023832 logG= -0.028907 logGD-logG0= -0.005252 tlogG= -0.023469 logG= -0.028720 Density= 0.215066 ETOT(band)= -0.233477 trlgG= -0.293114 logG= -0.028720 TDE= -0.171227 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215351 ETOT(band)= -0.233906 trlgG= -0.294482 logG= -0.028907 TDE= -0.171172 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.024111 logG= -0.029427 Density= 0.215576 ETOT(band)= -0.234159 trlgG= -0.295447 logG= -0.029427 TDE= -0.171670 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004772 tlogG= -0.023994 logG= -0.028766 Density= 0.321334 ETOT(band)= -0.351344 trlgG= -0.441660 logG= -0.028766 TDE= -0.171284 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.023945 logG= -0.029023 Density= 0.214185 ETOT(band)= -0.234252 trlgG= -0.294128 logG= -0.029023 TDE= -0.171122 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.047762 logG= -0.058162 Density= 0.324142 ETOT(band)= -0.350124 trlgG= -0.441320 logG= -0.058162 TDE= -0.343147 logGD-logG0= -0.005178 tlogG= -0.023944 logG= -0.029123 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216251 ETOT(band)= -0.233374 trlgG= -0.294313 logG= -0.029123 TDE= -0.171627 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023576 logG= -0.028064 Density= 0.212447 ETOT(band)= -0.234166 trlgG= -0.292966 logG= -0.028064 TDE= -0.170753 logGD-logG0= -0.001186 tlogG= -0.005167 logG= -0.006353 logGD-logG0= -0.005018 tlogG= -0.024145 logG= -0.029163 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005044 tlogG= -0.024150 logG= -0.029194 Density= 0.214590 ETOT(band)= -0.234321 trlgG= -0.294740 logG= -0.029163 TDE= -0.171294 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004579 tlogG= -0.023961 logG= -0.028540 Density= 0.322217 ETOT(band)= -0.351449 trlgG= -0.442335 logG= -0.029194 TDE= -0.171289 Density= 0.062494 ETOT(band)= -0.067591 trlgG= -0.084269 logG= -0.006353 TDE= -0.042373 Density= 0.212639 ETOT(band)= -0.234442 trlgG= -0.293712 logG= -0.028540 TDE= -0.170889 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.023870 logG= -0.028789 Density= 0.213627 ETOT(band)= -0.234171 trlgG= -0.293225 logG= -0.028789 TDE= -0.170852 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023356 logG= -0.028038 logGD-logG0= -0.005029 tlogG= -0.023231 logG= -0.028260 Density= 0.321401 ETOT(band)= -0.350296 trlgG= -0.439082 logG= -0.028038 TDE= -0.170958 Density= 0.321470 ETOT(band)= -0.350801 trlgG= -0.439933 logG= -0.028260 TDE= -0.170913 logGD-logG0= -0.005178 tlogG= -0.022955 logG= -0.028133 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216082 ETOT(band)= -0.232225 trlgG= -0.290786 logG= -0.028133 TDE= -0.170958 logGD-logG0= -0.010447 tlogG= -0.047211 logG= -0.057658 Density= 0.323921 ETOT(band)= -0.349759 trlgG= -0.439973 logG= -0.057658 TDE= -0.342755 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.023233 logG= -0.028015 logGD-logG0= -0.010689 tlogG= -0.048016 logG= -0.058705 Density= 0.213334 ETOT(band)= -0.233780 trlgG= -0.292445 logG= -0.028015 TDE= -0.170803 Density= 0.323030 ETOT(band)= -0.351207 trlgG= -0.442678 logG= -0.058705 TDE= -0.343142 logGD-logG0= -0.010446 tlogG= -0.046389 logG= -0.056835 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323781 ETOT(band)= -0.349104 trlgG= -0.437887 logG= -0.056835 TDE= -0.342197 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.024071 logG= -0.029320 Density= 0.322843 ETOT(band)= -0.351417 trlgG= -0.442984 logG= -0.029320 TDE= -0.171483 logGD-logG0= -0.005199 tlogG= -0.023750 logG= -0.028948 Density= 0.216139 ETOT(band)= -0.233177 trlgG= -0.293610 logG= -0.028948 TDE= -0.171485 logGD-logG0= -0.005349 tlogG= -0.023946 logG= -0.029295 Density= 0.323447 ETOT(band)= -0.350875 trlgG= -0.442417 logG= -0.029295 TDE= -0.171541 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010174 tlogG= -0.045602 logG= -0.055776 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323826 ETOT(band)= -0.348161 trlgG= -0.435266 logG= -0.055776 TDE= -0.341571 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023879 logG= -0.028483 Density= 0.213115 ETOT(band)= -0.234028 trlgG= -0.292714 logG= -0.028483 TDE= -0.170841 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004651 tlogG= -0.023359 logG= -0.028010 Density= 0.214025 ETOT(band)= -0.233532 trlgG= -0.292552 logG= -0.028010 TDE= -0.170966 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022894 logG= -0.027860 logGD-logG0= -0.005364 tlogG= -0.023887 logG= -0.029251 Density= 0.214641 ETOT(band)= -0.232554 trlgG= -0.289898 logG= -0.027860 TDE= -0.170489 logGD-logG0= -0.005170 tlogG= -0.023182 logG= -0.028351 Density= 0.215502 ETOT(band)= -0.233905 trlgG= -0.294758 logG= -0.029251 TDE= -0.171493 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214714 ETOT(band)= -0.233107 trlgG= -0.291430 logG= -0.028351 TDE= -0.170677 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008960 tlogG= -0.048074 logG= -0.057034 Density= 0.425194 ETOT(band)= -0.468684 trlgG= -0.586912 logG= -0.057034 TDE= -0.341895 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.046580 logG= -0.056261 Density= 0.322478 ETOT(band)= -0.349240 trlgG= -0.436712 logG= -0.056261 TDE= -0.341724 logGD-logG0= -0.004946 tlogG= -0.022280 logG= -0.027226 Density= 0.214099 ETOT(band)= -0.232600 trlgG= -0.289657 logG= -0.027226 TDE= -0.170225 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005412 tlogG= -0.023673 logG= -0.029085 logGD-logG0= -0.009640 tlogG= -0.047817 logG= -0.057457 Density= 0.215262 ETOT(band)= -0.233759 trlgG= -0.294062 logG= -0.029085 TDE= -0.171316 Density= 0.427721 ETOT(band)= -0.468476 trlgG= -0.588280 logG= -0.057457 TDE= -0.342383 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010312 tlogG= -0.047933 logG= -0.058245 Density= 0.428899 ETOT(band)= -0.468539 trlgG= -0.588693 logG= -0.058245 TDE= -0.342271 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.022463 logG= -0.027376 Density= 0.214867 ETOT(band)= -0.231816 trlgG= -0.288251 logG= -0.027376 TDE= -0.170238 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009501 tlogG= -0.046584 logG= -0.056085 logGD-logG0= -0.010277 tlogG= -0.048197 logG= -0.058474 logGD-logG0= -0.010255 tlogG= -0.047645 logG= -0.057900 Density= 0.427977 ETOT(band)= -0.468456 trlgG= -0.587610 logG= -0.057900 TDE= -0.342024 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429739 ETOT(band)= -0.468575 trlgG= -0.589811 logG= -0.058474 TDE= -0.342647 Density= 0.427777 ETOT(band)= -0.467173 trlgG= -0.584884 logG= -0.056085 TDE= -0.341751 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009816 tlogG= -0.047829 logG= -0.057645 Density= 0.428829 ETOT(band)= -0.468243 trlgG= -0.588241 logG= -0.057645 TDE= -0.342368 logGD-logG0= -0.010656 tlogG= -0.047703 logG= -0.058359 Density= 0.430458 ETOT(band)= -0.467822 trlgG= -0.588760 logG= -0.058359 TDE= -0.342788 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004905 tlogG= -0.021286 logG= -0.026191 Density= 0.162545 ETOT(band)= -0.173089 trlgG= -0.216059 logG= -0.026191 TDE= -0.169936 logGD-logG0= -0.010754 tlogG= -0.047670 logG= -0.058424 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430803 ETOT(band)= -0.467761 trlgG= -0.589116 logG= -0.058424 TDE= -0.342895 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010487 tlogG= -0.048046 logG= -0.058533 logGD-logG0= -0.010143 tlogG= -0.048125 logG= -0.058268 Density= 0.429846 ETOT(band)= -0.468404 trlgG= -0.589481 logG= -0.058533 TDE= -0.342772 Density= 0.428996 ETOT(band)= -0.468577 trlgG= -0.589043 logG= -0.058268 TDE= -0.342428 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047626 logG= -0.057278 Density= 0.426343 ETOT(band)= -0.468701 trlgG= -0.587426 logG= -0.057278 TDE= -0.341915 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010678 tlogG= -0.047996 logG= -0.058674 Density= 0.431046 ETOT(band)= -0.468043 trlgG= -0.590109 logG= -0.058674 TDE= -0.343160 logGD-logG0= -0.009997 tlogG= -0.047536 logG= -0.057533 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428294 ETOT(band)= -0.467799 trlgG= -0.586644 logG= -0.057533 TDE= -0.342068 logGD-logG0= -0.009930 tlogG= -0.046376 logG= -0.056307 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429220 ETOT(band)= -0.465867 trlgG= -0.581938 logG= -0.056307 TDE= -0.341446 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010316 tlogG= -0.046905 logG= -0.057221 Density= 0.429576 ETOT(band)= -0.466779 trlgG= -0.584639 logG= -0.057221 TDE= -0.341739 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.047746 logG= -0.057351 Density= 0.426850 ETOT(band)= -0.468246 trlgG= -0.586271 logG= -0.057351 TDE= -0.341617 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004832 tlogG= -0.022315 logG= -0.027147 Density= 0.322644 ETOT(band)= -0.348208 trlgG= -0.434321 logG= -0.027147 TDE= -0.170305 logGD-logG0= -0.010715 tlogG= -0.047242 logG= -0.057957 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430185 ETOT(band)= -0.467399 trlgG= -0.587288 logG= -0.057957 TDE= -0.342404 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009447 tlogG= -0.046691 logG= -0.056138 logGD-logG0= -0.010240 tlogG= -0.047545 logG= -0.057785 Density= 0.429709 ETOT(band)= -0.467425 trlgG= -0.586570 logG= -0.057785 TDE= -0.342185 Density= 0.427567 ETOT(band)= -0.466452 trlgG= -0.582278 logG= -0.056138 TDE= -0.341337 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.021336 logG= -0.026324 Density= 0.216880 ETOT(band)= -0.229315 trlgG= -0.284467 logG= -0.026324 TDE= -0.169950 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001204 tlogG= -0.005303 logG= -0.006508 Density= 0.081507 ETOT(band)= -0.085736 trlgG= -0.106278 logG= -0.006508 TDE= -0.042475 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009963 tlogG= -0.044596 logG= -0.054559 Density= 0.324068 ETOT(band)= -0.346890 trlgG= -0.432250 logG= -0.054559 TDE= -0.340892 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.022315 logG= -0.027106 Density= 0.214874 ETOT(band)= -0.232106 trlgG= -0.289297 logG= -0.027106 TDE= -0.170311 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001693 tlogG= -0.007112 logG= -0.008804 Density= 0.072182 ETOT(band)= -0.076526 trlgG= -0.094904 logG= -0.008804 TDE= -0.056642 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004433 tlogG= -0.023730 logG= -0.028163 Density= 0.212918 ETOT(band)= -0.233754 trlgG= -0.291988 logG= -0.028163 TDE= -0.170838 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.021865 logG= -0.026943 Density= 0.216484 ETOT(band)= -0.230426 trlgG= -0.286676 logG= -0.026943 TDE= -0.170283 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004946 tlogG= -0.021191 logG= -0.026137 Density= 0.216200 ETOT(band)= -0.230181 trlgG= -0.285731 logG= -0.026137 TDE= -0.169856 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009811 tlogG= -0.044600 logG= -0.054411 Density= 0.431309 ETOT(band)= -0.462376 trlgG= -0.575136 logG= -0.054411 TDE= -0.340530 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.032811033711 eV TrLogG= -407.457409285619 eV Ratio to renormalize= 1.000737231974 rho-rho_expected=-0.016207155001 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 52) Finished k-point number 106 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964790042076751 0.940674912834306 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001487 tlogG= -0.007808 logG= -0.009295 Density= 0.035464 ETOT(band)= -0.038954 trlgG= -0.048644 logG= -0.009295 TDE= -0.056899 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001407 tlogG= -0.008041 logG= -0.009448 Density= 0.035284 ETOT(band)= -0.039107 trlgG= -0.049011 logG= -0.009448 TDE= -0.057023 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023196 logG= -0.027821 Density= 0.106654 ETOT(band)= -0.116706 trlgG= -0.145577 logG= -0.027821 TDE= -0.170534 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004711 tlogG= -0.022980 logG= -0.027691 Density= 0.106791 ETOT(band)= -0.116573 trlgG= -0.145314 logG= -0.027691 TDE= -0.170468 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.007301 logG= -0.008991 Density= 0.035818 ETOT(band)= -0.038602 trlgG= -0.047944 logG= -0.008991 TDE= -0.056677 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002402 tlogG= -0.010419 logG= -0.012821 Density= 0.054345 ETOT(band)= -0.057106 trlgG= -0.070740 logG= -0.012821 TDE= -0.084811 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001624 tlogG= -0.006987 logG= -0.008611 Density= 0.036173 ETOT(band)= -0.038150 trlgG= -0.047279 logG= -0.008611 TDE= -0.056569 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002604 tlogG= -0.012027 logG= -0.014631 Density= 0.053726 ETOT(band)= -0.058572 trlgG= -0.073737 logG= -0.014631 TDE= -0.085692 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011442 logG= -0.013776 Density= 0.053699 ETOT(band)= -0.058109 trlgG= -0.072552 logG= -0.013776 TDE= -0.085349 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.022444 logG= -0.027482 Density= 0.108133 ETOT(band)= -0.115808 trlgG= -0.144660 logG= -0.027482 TDE= -0.170687 logGD-logG0= -0.002422 tlogG= -0.012077 logG= -0.014499 Density= 0.053546 ETOT(band)= -0.058585 trlgG= -0.073680 logG= -0.014499 TDE= -0.085678 logGD-logG0= -0.005151 tlogG= -0.023753 logG= -0.028904 logGD-logG0= -0.002559 tlogG= -0.011978 logG= -0.014538 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054104 ETOT(band)= -0.058331 trlgG= -0.073596 logG= -0.014538 TDE= -0.085832 Density= 0.108110 ETOT(band)= -0.116612 trlgG= -0.146919 logG= -0.028904 TDE= -0.171513 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.021807 logG= -0.026876 Density= 0.107714 ETOT(band)= -0.115610 trlgG= -0.143667 logG= -0.026876 TDE= -0.170094 logGD-logG0= -0.002327 tlogG= -0.011878 logG= -0.014205 Density= 0.053523 ETOT(band)= -0.058442 trlgG= -0.073318 logG= -0.014205 TDE= -0.085599 logGD-logG0= -0.004353 tlogG= -0.023965 logG= -0.028318 Density= 0.106083 ETOT(band)= -0.117211 trlgG= -0.146789 logG= -0.028318 TDE= -0.170966 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004551 tlogG= -0.024036 logG= -0.028586 Density= 0.106304 ETOT(band)= -0.117240 trlgG= -0.146909 logG= -0.028586 TDE= -0.170927 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023419 logG= -0.028566 logGD-logG0= -0.004327 tlogG= -0.024042 logG= -0.028369 Density= 0.106031 ETOT(band)= -0.117255 trlgG= -0.146903 logG= -0.028369 TDE= -0.171004 logGD-logG0= -0.004834 tlogG= -0.023677 logG= -0.028511 Density= 0.108062 ETOT(band)= -0.116451 trlgG= -0.146383 logG= -0.028566 TDE= -0.171292 Density= 0.107303 ETOT(band)= -0.116801 trlgG= -0.146499 logG= -0.028511 TDE= -0.171087 logGD-logG0= -0.005106 tlogG= -0.022970 logG= -0.028076 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108065 ETOT(band)= -0.116181 trlgG= -0.145608 logG= -0.028076 TDE= -0.171008 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023939 logG= -0.029077 Density= 0.108161 ETOT(band)= -0.116687 trlgG= -0.147197 logG= -0.029077 TDE= -0.171643 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002628 tlogG= -0.011983 logG= -0.014611 Density= 0.053948 ETOT(band)= -0.058453 trlgG= -0.073719 logG= -0.014611 TDE= -0.085804 logGD-logG0= -0.004998 tlogG= -0.024082 logG= -0.029080 Density= 0.107305 ETOT(band)= -0.117112 trlgG= -0.147241 logG= -0.029080 TDE= -0.171261 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022156 logG= -0.027111 logGD-logG0= -0.005033 tlogG= -0.022721 logG= -0.027754 Density= 0.108179 ETOT(band)= -0.115944 trlgG= -0.145096 logG= -0.027754 TDE= -0.170874 logGD-logG0= -0.005317 tlogG= -0.023889 logG= -0.029206 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108289 ETOT(band)= -0.115500 trlgG= -0.144050 logG= -0.027111 TDE= -0.170526 logGD-logG0= -0.005290 tlogG= -0.024077 logG= -0.029367 Density= 0.107680 ETOT(band)= -0.117010 trlgG= -0.147402 logG= -0.029206 TDE= -0.171482 logGD-logG0= -0.005098 tlogG= -0.023204 logG= -0.028302 Density= 0.108125 ETOT(band)= -0.116274 trlgG= -0.145964 logG= -0.028302 TDE= -0.171167 logGD-logG0= -0.004866 tlogG= -0.022838 logG= -0.027704 logGD-logG0= -0.005291 tlogG= -0.023673 logG= -0.028964 Density= 0.107155 ETOT(band)= -0.117082 trlgG= -0.146953 logG= -0.028964 TDE= -0.171015 Density= 0.107674 ETOT(band)= -0.116168 trlgG= -0.145028 logG= -0.027704 TDE= -0.170606 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024059 logG= -0.029343 logGD-logG0= -0.005004 tlogG= -0.023631 logG= -0.028635 Density= 0.106899 ETOT(band)= -0.117012 trlgG= -0.146405 logG= -0.028635 TDE= -0.170669 Density= 0.107571 ETOT(band)= -0.117145 trlgG= -0.147619 logG= -0.029343 TDE= -0.171507 Density= 0.107818 ETOT(band)= -0.117050 trlgG= -0.147681 logG= -0.029367 TDE= -0.171667 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022397 logG= -0.027411 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107559 ETOT(band)= -0.116040 trlgG= -0.144544 logG= -0.027411 TDE= -0.170359 logGD-logG0= -0.004712 tlogG= -0.023676 logG= -0.028389 Density= 0.106897 ETOT(band)= -0.116924 trlgG= -0.146594 logG= -0.028389 TDE= -0.171103 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023658 logG= -0.028343 logGD-logG0= -0.005115 tlogG= -0.022863 logG= -0.027977 Density= 0.107541 ETOT(band)= -0.116373 trlgG= -0.145441 logG= -0.027977 TDE= -0.170681 Density= 0.106515 ETOT(band)= -0.117045 trlgG= -0.146493 logG= -0.028343 TDE= -0.170859 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.024123 logG= -0.029447 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107740 ETOT(band)= -0.117139 trlgG= -0.147807 logG= -0.029447 TDE= -0.171676 logGD-logG0= -0.004911 tlogG= -0.023881 logG= -0.028791 logGD-logG0= -0.004739 tlogG= -0.023490 logG= -0.028228 Density= 0.106692 ETOT(band)= -0.116896 trlgG= -0.146060 logG= -0.028228 TDE= -0.170628 Density= 0.106677 ETOT(band)= -0.117198 trlgG= -0.147019 logG= -0.028791 TDE= -0.171016 logGD-logG0= -0.005128 tlogG= -0.023594 logG= -0.028722 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108136 ETOT(band)= -0.116497 trlgG= -0.146627 logG= -0.028722 TDE= -0.171416 logGD-logG0= -0.004885 tlogG= -0.024059 logG= -0.028944 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106979 ETOT(band)= -0.117176 trlgG= -0.147270 logG= -0.028944 TDE= -0.171265 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023860 logG= -0.028986 Density= 0.108182 ETOT(band)= -0.116622 trlgG= -0.147048 logG= -0.028986 TDE= -0.171596 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.024048 logG= -0.029313 logGD-logG0= -0.005307 tlogG= -0.023183 logG= -0.028490 logGD-logG0= -0.005234 tlogG= -0.023956 logG= -0.029190 Density= 0.107877 ETOT(band)= -0.116982 trlgG= -0.147591 logG= -0.029313 TDE= -0.171661 Density= 0.107610 ETOT(band)= -0.116620 trlgG= -0.146251 logG= -0.028490 TDE= -0.171012 Density= 0.107370 ETOT(band)= -0.117132 trlgG= -0.147347 logG= -0.029190 TDE= -0.171290 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.022841 logG= -0.027584 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107219 ETOT(band)= -0.116316 trlgG= -0.145158 logG= -0.027584 TDE= -0.170631 logGD-logG0= -0.005276 tlogG= -0.023860 logG= -0.029136 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107846 ETOT(band)= -0.116876 trlgG= -0.147294 logG= -0.029136 TDE= -0.171526 logGD-logG0= -0.005314 tlogG= -0.023569 logG= -0.028883 Density= 0.107729 ETOT(band)= -0.116781 trlgG= -0.146880 logG= -0.028883 TDE= -0.171306 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009793 tlogG= -0.048223 logG= -0.058016 logGD-logG0= -0.009475 tlogG= -0.045739 logG= -0.055214 Density= 0.214867 ETOT(band)= -0.232462 trlgG= -0.290214 logG= -0.055214 TDE= -0.341327 Density= 0.214250 ETOT(band)= -0.234309 trlgG= -0.294612 logG= -0.058016 TDE= -0.342618 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009756 tlogG= -0.045570 logG= -0.055326 Density= 0.214206 ETOT(band)= -0.232818 trlgG= -0.290398 logG= -0.055326 TDE= -0.341072 logGD-logG0= -0.009119 tlogG= -0.047612 logG= -0.056730 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212759 ETOT(band)= -0.234215 trlgG= -0.293119 logG= -0.056730 TDE= -0.341672 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009822 tlogG= -0.047133 logG= -0.056954 Density= 0.213619 ETOT(band)= -0.233951 trlgG= -0.292833 logG= -0.056954 TDE= -0.341588 logGD-logG0= -0.009939 tlogG= -0.047880 logG= -0.057819 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213814 ETOT(band)= -0.234350 trlgG= -0.294305 logG= -0.057819 TDE= -0.342291 logGD-logG0= -0.009550 tlogG= -0.047909 logG= -0.057459 Density= 0.213111 ETOT(band)= -0.234420 trlgG= -0.293763 logG= -0.057459 TDE= -0.341762 logGD-logG0= -0.010319 tlogG= -0.047957 logG= -0.058276 logGD-logG0= -0.009659 tlogG= -0.047139 logG= -0.056798 Density= 0.214929 ETOT(band)= -0.234135 trlgG= -0.294540 logG= -0.058276 TDE= -0.342622 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213608 ETOT(band)= -0.233908 trlgG= -0.293042 logG= -0.056798 TDE= -0.341948 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.047992 logG= -0.058544 logGD-logG0= -0.010515 tlogG= -0.047725 logG= -0.058240 logGD-logG0= -0.009861 tlogG= -0.045627 logG= -0.055488 logGD-logG0= -0.010380 tlogG= -0.047765 logG= -0.058145 Density= 0.214508 ETOT(band)= -0.234223 trlgG= -0.294280 logG= -0.058145 TDE= -0.342284 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215000 ETOT(band)= -0.232537 trlgG= -0.290204 logG= -0.055488 TDE= -0.341109 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010470 tlogG= -0.048059 logG= -0.058529 Density= 0.214963 ETOT(band)= -0.234271 trlgG= -0.294984 logG= -0.058544 TDE= -0.342814 Density= 0.214609 ETOT(band)= -0.234228 trlgG= -0.294448 logG= -0.058240 TDE= -0.342408 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214926 ETOT(band)= -0.234280 trlgG= -0.294956 logG= -0.058529 TDE= -0.342784 logGD-logG0= -0.010062 tlogG= -0.048008 logG= -0.058070 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214382 ETOT(band)= -0.234254 trlgG= -0.294359 logG= -0.058070 TDE= -0.342376 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047508 logG= -0.058111 Density= 0.215561 ETOT(band)= -0.233720 trlgG= -0.294321 logG= -0.058111 TDE= -0.342880 logGD-logG0= -0.010616 tlogG= -0.046854 logG= -0.057470 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215287 ETOT(band)= -0.233486 trlgG= -0.293281 logG= -0.057470 TDE= -0.342346 logGD-logG0= -0.010409 tlogG= -0.047285 logG= -0.057694 Density= 0.214109 ETOT(band)= -0.234127 trlgG= -0.293531 logG= -0.057694 TDE= -0.341789 logGD-logG0= -0.010527 tlogG= -0.047921 logG= -0.058449 Density= 0.215759 ETOT(band)= -0.233835 trlgG= -0.294882 logG= -0.058449 TDE= -0.343201 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010181 tlogG= -0.047638 logG= -0.057820 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213794 ETOT(band)= -0.234337 trlgG= -0.294057 logG= -0.057820 TDE= -0.342033 logGD-logG0= -0.009431 tlogG= -0.047427 logG= -0.056858 logGD-logG0= -0.010176 tlogG= -0.046389 logG= -0.056564 Density= 0.215069 ETOT(band)= -0.233098 trlgG= -0.291839 logG= -0.056564 TDE= -0.341702 Density= 0.214157 ETOT(band)= -0.233734 trlgG= -0.293167 logG= -0.056858 TDE= -0.342286 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010665 tlogG= -0.048122 logG= -0.058787 logGD-logG0= -0.009786 tlogG= -0.047203 logG= -0.056989 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214325 ETOT(band)= -0.233693 trlgG= -0.292939 logG= -0.056989 TDE= -0.342008 Density= 0.215282 ETOT(band)= -0.234294 trlgG= -0.295419 logG= -0.058787 TDE= -0.343164 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010574 tlogG= -0.047397 logG= -0.057971 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.047870 logG= -0.058453 Density= 0.215629 ETOT(band)= -0.233909 trlgG= -0.294885 logG= -0.058453 TDE= -0.343137 Density= 0.215326 ETOT(band)= -0.233763 trlgG= -0.294083 logG= -0.057971 TDE= -0.342666 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010088 tlogG= -0.047129 logG= -0.057217 Density= 0.215005 ETOT(band)= -0.233500 trlgG= -0.292858 logG= -0.057217 TDE= -0.342037 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002462 tlogG= -0.010835 logG= -0.013298 Density= 0.054027 ETOT(band)= -0.057626 trlgG= -0.071590 logG= -0.013298 TDE= -0.085028 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004990 tlogG= -0.021861 logG= -0.026851 logGD-logG0= -0.004903 tlogG= -0.021550 logG= -0.026454 Density= 0.108445 ETOT(band)= -0.114949 trlgG= -0.142919 logG= -0.026454 TDE= -0.170129 Density= 0.108254 ETOT(band)= -0.115317 trlgG= -0.143601 logG= -0.026851 TDE= -0.170319 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004822 tlogG= -0.020975 logG= -0.025796 Density= 0.108643 ETOT(band)= -0.114359 trlgG= -0.141760 logG= -0.025796 TDE= -0.169725 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021684 logG= -0.026692 Density= 0.107858 ETOT(band)= -0.115416 trlgG= -0.143356 logG= -0.026692 TDE= -0.170037 logGD-logG0= -0.010012 tlogG= -0.043366 logG= -0.053379 Density= 0.216135 ETOT(band)= -0.230619 trlgG= -0.286684 logG= -0.053379 TDE= -0.340260 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001433 tlogG= -0.007963 logG= -0.009395 Density= 0.070810 ETOT(band)= -0.078010 trlgG= -0.097533 logG= -0.009395 TDE= -0.056984 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001186 tlogG= -0.005168 logG= -0.006353 Density= 0.062495 ETOT(band)= -0.067593 trlgG= -0.084272 logG= -0.006353 TDE= -0.042374 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004433 tlogG= -0.023731 logG= -0.028163 Density= 0.212920 ETOT(band)= -0.233763 trlgG= -0.291999 logG= -0.028163 TDE= -0.170844 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007585 logG= -0.009156 Density= 0.071445 ETOT(band)= -0.077403 trlgG= -0.096229 logG= -0.009156 TDE= -0.056759 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005304 logG= -0.006508 Density= 0.081509 ETOT(band)= -0.085739 trlgG= -0.106282 logG= -0.006508 TDE= -0.042476 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004945 tlogG= -0.022281 logG= -0.027226 Density= 0.214102 ETOT(band)= -0.232608 trlgG= -0.289667 logG= -0.027226 TDE= -0.170231 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004913 tlogG= -0.022464 logG= -0.027377 Density= 0.214870 ETOT(band)= -0.231824 trlgG= -0.288261 logG= -0.027377 TDE= -0.170244 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005936 logG= -0.007213 Density= 0.080779 ETOT(band)= -0.087705 trlgG= -0.110445 logG= -0.007213 TDE= -0.042882 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080594 ETOT(band)= -0.087672 trlgG= -0.110248 logG= -0.007125 TDE= -0.042828 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005616 logG= -0.006853 Density= 0.080782 ETOT(band)= -0.087026 trlgG= -0.108688 logG= -0.006853 TDE= -0.042685 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007112 logG= -0.008805 Density= 0.072183 ETOT(band)= -0.076528 trlgG= -0.094908 logG= -0.008805 TDE= -0.056644 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001258 tlogG= -0.005745 logG= -0.007002 Density= 0.080580 ETOT(band)= -0.087457 trlgG= -0.109693 logG= -0.007002 TDE= -0.042762 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.023789 logG= -0.029044 Density= 0.215191 ETOT(band)= -0.233919 trlgG= -0.294386 logG= -0.029044 TDE= -0.171489 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023469 logG= -0.028721 Density= 0.215070 ETOT(band)= -0.233485 trlgG= -0.293123 logG= -0.028721 TDE= -0.171232 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005981 logG= -0.007256 Density= 0.081010 ETOT(band)= -0.087606 trlgG= -0.110495 logG= -0.007256 TDE= -0.042912 logGD-logG0= -0.004301 tlogG= -0.024122 logG= -0.028423 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023991 logG= -0.029212 Density= 0.215547 ETOT(band)= -0.234010 trlgG= -0.295041 logG= -0.029212 TDE= -0.171642 Density= 0.211999 ETOT(band)= -0.234560 trlgG= -0.293930 logG= -0.028423 TDE= -0.171042 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023577 logG= -0.028065 Density= 0.212449 ETOT(band)= -0.234175 trlgG= -0.292978 logG= -0.028065 TDE= -0.170759 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.023833 logG= -0.028907 Density= 0.215355 ETOT(band)= -0.233913 trlgG= -0.294491 logG= -0.028907 TDE= -0.171178 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023989 logG= -0.029173 Density= 0.216221 ETOT(band)= -0.233486 trlgG= -0.294556 logG= -0.029173 TDE= -0.171659 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023880 logG= -0.028483 Density= 0.213118 ETOT(band)= -0.234037 trlgG= -0.292725 logG= -0.028483 TDE= -0.170846 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004771 tlogG= -0.023996 logG= -0.028767 Density= 0.321339 ETOT(band)= -0.351356 trlgG= -0.441675 logG= -0.028767 TDE= -0.171289 logGD-logG0= -0.005315 tlogG= -0.024112 logG= -0.029427 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215580 ETOT(band)= -0.234166 trlgG= -0.295457 logG= -0.029427 TDE= -0.171675 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010398 tlogG= -0.047765 logG= -0.058163 Density= 0.324148 ETOT(band)= -0.350135 trlgG= -0.441333 logG= -0.058163 TDE= -0.343158 logGD-logG0= -0.004578 tlogG= -0.023962 logG= -0.028541 logGD-logG0= -0.010173 tlogG= -0.045604 logG= -0.055777 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212642 ETOT(band)= -0.234451 trlgG= -0.293723 logG= -0.028541 TDE= -0.170895 Density= 0.323832 ETOT(band)= -0.348172 trlgG= -0.435280 logG= -0.055777 TDE= -0.341582 logGD-logG0= -0.005077 tlogG= -0.023947 logG= -0.029024 Density= 0.214188 ETOT(band)= -0.234260 trlgG= -0.294139 logG= -0.029024 TDE= -0.171127 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022895 logG= -0.027860 Density= 0.214644 ETOT(band)= -0.232562 trlgG= -0.289908 logG= -0.027860 TDE= -0.170495 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.022956 logG= -0.028133 Density= 0.216086 ETOT(band)= -0.232232 trlgG= -0.290795 logG= -0.028133 TDE= -0.170964 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.024152 logG= -0.029194 Density= 0.322222 ETOT(band)= -0.351461 trlgG= -0.442350 logG= -0.029194 TDE= -0.171294 logGD-logG0= -0.005204 tlogG= -0.023404 logG= -0.028608 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216061 ETOT(band)= -0.232806 trlgG= -0.292412 logG= -0.028608 TDE= -0.171252 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010687 tlogG= -0.048018 logG= -0.058705 logGD-logG0= -0.004918 tlogG= -0.023871 logG= -0.028789 Density= 0.323036 ETOT(band)= -0.351218 trlgG= -0.442693 logG= -0.058705 TDE= -0.343154 Density= 0.213630 ETOT(band)= -0.234179 trlgG= -0.293235 logG= -0.028789 TDE= -0.170858 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022427 logG= -0.027543 Density= 0.216230 ETOT(band)= -0.231434 trlgG= -0.288807 logG= -0.027543 TDE= -0.170629 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010445 tlogG= -0.047214 logG= -0.057659 Density= 0.323927 ETOT(band)= -0.349770 trlgG= -0.439987 logG= -0.057659 TDE= -0.342766 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023888 logG= -0.029251 Density= 0.215506 ETOT(band)= -0.233912 trlgG= -0.294768 logG= -0.029251 TDE= -0.171499 logGD-logG0= -0.005248 tlogG= -0.024072 logG= -0.029320 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322849 ETOT(band)= -0.351428 trlgG= -0.442999 logG= -0.029320 TDE= -0.171489 logGD-logG0= -0.004781 tlogG= -0.023234 logG= -0.028016 Density= 0.213337 ETOT(band)= -0.233788 trlgG= -0.292456 logG= -0.028016 TDE= -0.170809 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023997 logG= -0.028735 logGD-logG0= -0.004650 tlogG= -0.023360 logG= -0.028010 Density= 0.214028 ETOT(band)= -0.233540 trlgG= -0.292562 logG= -0.028010 TDE= -0.170972 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213967 ETOT(band)= -0.234254 trlgG= -0.294357 logG= -0.028735 TDE= -0.171294 logGD-logG0= -0.010444 tlogG= -0.046392 logG= -0.056835 logGD-logG0= -0.005411 tlogG= -0.023674 logG= -0.029085 logGD-logG0= -0.004834 tlogG= -0.023827 logG= -0.028660 Density= 0.213414 ETOT(band)= -0.234320 trlgG= -0.293973 logG= -0.028660 TDE= -0.171113 logGD-logG0= -0.009679 tlogG= -0.046583 logG= -0.056262 Density= 0.323787 ETOT(band)= -0.349115 trlgG= -0.437901 logG= -0.056835 TDE= -0.342208 Density= 0.322483 ETOT(band)= -0.349252 trlgG= -0.436727 logG= -0.056262 TDE= -0.341735 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215266 ETOT(band)= -0.233766 trlgG= -0.294072 logG= -0.029085 TDE= -0.171321 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023948 logG= -0.029295 logGD-logG0= -0.005177 tlogG= -0.023946 logG= -0.029123 Density= 0.323453 ETOT(band)= -0.350886 trlgG= -0.442431 logG= -0.029295 TDE= -0.171547 Density= 0.216256 ETOT(band)= -0.233381 trlgG= -0.294323 logG= -0.029123 TDE= -0.171632 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.024146 logG= -0.029163 logGD-logG0= -0.005028 tlogG= -0.023232 logG= -0.028260 Density= 0.321475 ETOT(band)= -0.350813 trlgG= -0.439949 logG= -0.028260 TDE= -0.170918 logGD-logG0= -0.005197 tlogG= -0.023751 logG= -0.028948 Density= 0.216143 ETOT(band)= -0.233184 trlgG= -0.293619 logG= -0.028948 TDE= -0.171491 logGD-logG0= -0.005169 tlogG= -0.023183 logG= -0.028352 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214594 ETOT(band)= -0.234329 trlgG= -0.294751 logG= -0.029163 TDE= -0.171300 Density= 0.214717 ETOT(band)= -0.233115 trlgG= -0.291440 logG= -0.028352 TDE= -0.170683 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023342 logG= -0.028778 Density= 0.214961 ETOT(band)= -0.233512 trlgG= -0.292934 logG= -0.028778 TDE= -0.171028 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008959 tlogG= -0.048076 logG= -0.057035 logGD-logG0= -0.009446 tlogG= -0.046693 logG= -0.056139 Density= 0.427573 ETOT(band)= -0.466469 trlgG= -0.582300 logG= -0.056139 TDE= -0.341348 Density= 0.425199 ETOT(band)= -0.468702 trlgG= -0.586934 logG= -0.057035 TDE= -0.341906 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.023357 logG= -0.028038 Density= 0.321406 ETOT(band)= -0.350308 trlgG= -0.439097 logG= -0.028038 TDE= -0.170964 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009638 tlogG= -0.047819 logG= -0.057457 Density= 0.427727 ETOT(band)= -0.468493 trlgG= -0.588301 logG= -0.057457 TDE= -0.342394 logGD-logG0= -0.010311 tlogG= -0.047935 logG= -0.058246 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428906 ETOT(band)= -0.468555 trlgG= -0.588714 logG= -0.058246 TDE= -0.342283 logGD-logG0= -0.010254 tlogG= -0.047647 logG= -0.057901 Density= 0.427983 ETOT(band)= -0.468473 trlgG= -0.587631 logG= -0.057901 TDE= -0.342035 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.048199 logG= -0.058474 Density= 0.429746 ETOT(band)= -0.468591 trlgG= -0.589831 logG= -0.058474 TDE= -0.342659 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010486 tlogG= -0.048048 logG= -0.058534 Density= 0.429854 ETOT(band)= -0.468420 trlgG= -0.589502 logG= -0.058534 TDE= -0.342784 logGD-logG0= -0.004904 tlogG= -0.021287 logG= -0.026191 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162547 ETOT(band)= -0.173094 trlgG= -0.216066 logG= -0.026191 TDE= -0.169942 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010142 tlogG= -0.048127 logG= -0.058269 Density= 0.429003 ETOT(band)= -0.468592 trlgG= -0.589064 logG= -0.058269 TDE= -0.342439 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010752 tlogG= -0.047673 logG= -0.058425 logGD-logG0= -0.009814 tlogG= -0.047832 logG= -0.057646 Density= 0.428836 ETOT(band)= -0.468259 trlgG= -0.588261 logG= -0.057646 TDE= -0.342379 Density= 0.430811 ETOT(band)= -0.467776 trlgG= -0.589135 logG= -0.058425 TDE= -0.342906 logGD-logG0= -0.009605 tlogG= -0.047747 logG= -0.057352 Density= 0.426856 ETOT(band)= -0.468263 trlgG= -0.586293 logG= -0.057352 TDE= -0.341628 logGD-logG0= -0.009651 tlogG= -0.047628 logG= -0.057279 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426349 ETOT(band)= -0.468718 trlgG= -0.587448 logG= -0.057279 TDE= -0.341927 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010655 tlogG= -0.047705 logG= -0.058359 Density= 0.430466 ETOT(band)= -0.467837 trlgG= -0.588780 logG= -0.058359 TDE= -0.342800 logGD-logG0= -0.009929 tlogG= -0.046379 logG= -0.056308 Density= 0.429227 ETOT(band)= -0.465883 trlgG= -0.581958 logG= -0.056308 TDE= -0.341457 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009499 tlogG= -0.046586 logG= -0.056085 Density= 0.427783 ETOT(band)= -0.467189 trlgG= -0.584905 logG= -0.056085 TDE= -0.341762 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009995 tlogG= -0.047538 logG= -0.057534 Density= 0.428301 ETOT(band)= -0.467815 trlgG= -0.586665 logG= -0.057534 TDE= -0.342079 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010314 tlogG= -0.046908 logG= -0.057222 Density= 0.429582 ETOT(band)= -0.466794 trlgG= -0.584659 logG= -0.057222 TDE= -0.341750 logGD-logG0= -0.010676 tlogG= -0.047999 logG= -0.058674 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431054 ETOT(band)= -0.468058 trlgG= -0.590128 logG= -0.058674 TDE= -0.343171 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022316 logG= -0.027147 logGD-logG0= -0.010713 tlogG= -0.047244 logG= -0.057958 Density= 0.430192 ETOT(band)= -0.467414 trlgG= -0.587308 logG= -0.057958 TDE= -0.342415 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322649 ETOT(band)= -0.348220 trlgG= -0.434336 logG= -0.027147 TDE= -0.170311 logGD-logG0= -0.001580 tlogG= -0.006869 logG= -0.008449 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.040824 ETOT(band)= -0.042699 trlgG= -0.052833 logG= -0.008449 TDE= -0.056483 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010238 tlogG= -0.047547 logG= -0.057785 Density= 0.429716 ETOT(band)= -0.467440 trlgG= -0.586590 logG= -0.057785 TDE= -0.342196 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009961 tlogG= -0.044598 logG= -0.054560 Density= 0.324073 ETOT(band)= -0.346901 trlgG= -0.432265 logG= -0.054560 TDE= -0.340903 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004791 tlogG= -0.022316 logG= -0.027107 Density= 0.214877 ETOT(band)= -0.232114 trlgG= -0.289307 logG= -0.027107 TDE= -0.170317 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.021866 logG= -0.026944 Density= 0.216488 ETOT(band)= -0.230433 trlgG= -0.286686 logG= -0.026944 TDE= -0.170288 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001224 tlogG= -0.005465 logG= -0.006688 Density= 0.081148 ETOT(band)= -0.086410 trlgG= -0.107445 logG= -0.006688 TDE= -0.042588 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004987 tlogG= -0.021337 logG= -0.026324 Density= 0.216884 ETOT(band)= -0.229322 trlgG= -0.284476 logG= -0.026324 TDE= -0.169955 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004945 tlogG= -0.021192 logG= -0.026137 Density= 0.216203 ETOT(band)= -0.230189 trlgG= -0.285740 logG= -0.026137 TDE= -0.169862 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009809 tlogG= -0.044603 logG= -0.054412 Density= 0.431315 ETOT(band)= -0.462392 trlgG= -0.575156 logG= -0.054412 TDE= -0.340542 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.043818415089 eV TrLogG= -407.473895750156 eV Ratio to renormalize= 1.000721281765 rho-rho_expected=-0.015856761633 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 77) Finished k-point number 155 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964791285268855 0.940679683834925 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011443 logG= -0.013776 Density= 0.053699 ETOT(band)= -0.058110 trlgG= -0.072553 logG= -0.013776 TDE= -0.085350 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004551 tlogG= -0.024036 logG= -0.028587 Density= 0.106305 ETOT(band)= -0.117242 trlgG= -0.146911 logG= -0.028587 TDE= -0.170929 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.022722 logG= -0.027755 Density= 0.108180 ETOT(band)= -0.115945 trlgG= -0.145098 logG= -0.027755 TDE= -0.170876 logGD-logG0= -0.005098 tlogG= -0.023205 logG= -0.028303 Density= 0.108126 ETOT(band)= -0.116275 trlgG= -0.145966 logG= -0.028303 TDE= -0.171170 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.022864 logG= -0.027978 Density= 0.107542 ETOT(band)= -0.116375 trlgG= -0.145444 logG= -0.027978 TDE= -0.170683 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.024060 logG= -0.028945 Density= 0.106979 ETOT(band)= -0.117178 trlgG= -0.147273 logG= -0.028945 TDE= -0.171267 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.022842 logG= -0.027585 Density= 0.107220 ETOT(band)= -0.116318 trlgG= -0.145161 logG= -0.027585 TDE= -0.170633 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002462 tlogG= -0.010836 logG= -0.013298 Density= 0.054027 ETOT(band)= -0.057627 trlgG= -0.071591 logG= -0.013298 TDE= -0.085029 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002327 tlogG= -0.011879 logG= -0.014206 Density= 0.053523 ETOT(band)= -0.058442 trlgG= -0.073320 logG= -0.014206 TDE= -0.085600 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007808 logG= -0.009295 Density= 0.035464 ETOT(band)= -0.038954 trlgG= -0.048645 logG= -0.009295 TDE= -0.056899 logGD-logG0= -0.002604 tlogG= -0.012027 logG= -0.014631 Density= 0.053727 ETOT(band)= -0.058573 trlgG= -0.073738 logG= -0.014631 TDE= -0.085694 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001407 tlogG= -0.008042 logG= -0.009448 Density= 0.035284 ETOT(band)= -0.039107 trlgG= -0.049011 logG= -0.009448 TDE= -0.057023 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002422 tlogG= -0.012077 logG= -0.014500 Density= 0.053546 ETOT(band)= -0.058586 trlgG= -0.073682 logG= -0.014500 TDE= -0.085679 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023197 logG= -0.027822 Density= 0.106654 ETOT(band)= -0.116707 trlgG= -0.145580 logG= -0.027822 TDE= -0.170536 logGD-logG0= -0.005151 tlogG= -0.023753 logG= -0.028905 logGD-logG0= -0.004353 tlogG= -0.023966 logG= -0.028319 Density= 0.106083 ETOT(band)= -0.117212 trlgG= -0.146792 logG= -0.028319 TDE= -0.170968 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108111 ETOT(band)= -0.116614 trlgG= -0.146921 logG= -0.028905 TDE= -0.171515 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002628 tlogG= -0.011983 logG= -0.014611 Density= 0.053949 ETOT(band)= -0.058454 trlgG= -0.073720 logG= -0.014611 TDE= -0.085805 logGD-logG0= -0.005284 tlogG= -0.024060 logG= -0.029344 Density= 0.107571 ETOT(band)= -0.117146 trlgG= -0.147622 logG= -0.029344 TDE= -0.171510 logGD-logG0= -0.004711 tlogG= -0.022981 logG= -0.027692 Density= 0.106791 ETOT(band)= -0.116575 trlgG= -0.145316 logG= -0.027692 TDE= -0.170470 logGD-logG0= -0.002559 tlogG= -0.011979 logG= -0.014538 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023420 logG= -0.028566 Density= 0.054105 ETOT(band)= -0.058332 trlgG= -0.073597 logG= -0.014538 TDE= -0.085833 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108062 ETOT(band)= -0.116452 trlgG= -0.146386 logG= -0.028566 TDE= -0.171294 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.022445 logG= -0.027483 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022157 logG= -0.027112 logGD-logG0= -0.004866 tlogG= -0.022839 logG= -0.027705 logGD-logG0= -0.005014 tlogG= -0.022397 logG= -0.027412 Density= 0.107559 ETOT(band)= -0.116041 trlgG= -0.144547 logG= -0.027412 TDE= -0.170361 logGD-logG0= -0.005105 tlogG= -0.022971 logG= -0.028077 Density= 0.108066 ETOT(band)= -0.116183 trlgG= -0.145611 logG= -0.028077 TDE= -0.171010 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023940 logG= -0.029078 Density= 0.108162 ETOT(band)= -0.116688 trlgG= -0.147199 logG= -0.029078 TDE= -0.171646 Density= 0.108290 ETOT(band)= -0.115502 trlgG= -0.144052 logG= -0.027112 TDE= -0.170528 Density= 0.107674 ETOT(band)= -0.116169 trlgG= -0.145030 logG= -0.027705 TDE= -0.170608 Density= 0.108133 ETOT(band)= -0.115809 trlgG= -0.144662 logG= -0.027483 TDE= -0.170689 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023674 logG= -0.028965 Density= 0.107156 ETOT(band)= -0.117083 trlgG= -0.146956 logG= -0.028965 TDE= -0.171017 logGD-logG0= -0.005125 tlogG= -0.023861 logG= -0.028986 Density= 0.108183 ETOT(band)= -0.116624 trlgG= -0.147050 logG= -0.028986 TDE= -0.171598 logGD-logG0= -0.005323 tlogG= -0.024124 logG= -0.029447 logGD-logG0= -0.005128 tlogG= -0.023595 logG= -0.028723 logGD-logG0= -0.004998 tlogG= -0.024082 logG= -0.029080 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108136 ETOT(band)= -0.116498 trlgG= -0.146630 logG= -0.028723 TDE= -0.171418 Density= 0.107741 ETOT(band)= -0.117141 trlgG= -0.147810 logG= -0.029447 TDE= -0.171678 logGD-logG0= -0.004739 tlogG= -0.023490 logG= -0.028229 Density= 0.106692 ETOT(band)= -0.116898 trlgG= -0.146063 logG= -0.028229 TDE= -0.170631 Density= 0.107305 ETOT(band)= -0.117114 trlgG= -0.147243 logG= -0.029080 TDE= -0.171263 logGD-logG0= -0.005004 tlogG= -0.023632 logG= -0.028636 Density= 0.106900 ETOT(band)= -0.117014 trlgG= -0.146407 logG= -0.028636 TDE= -0.170671 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004834 tlogG= -0.023678 logG= -0.028512 Density= 0.107304 ETOT(band)= -0.116803 trlgG= -0.146501 logG= -0.028512 TDE= -0.171089 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004712 tlogG= -0.023677 logG= -0.028389 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023881 logG= -0.028792 Density= 0.106677 ETOT(band)= -0.117199 trlgG= -0.147021 logG= -0.028792 TDE= -0.171018 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106897 ETOT(band)= -0.116926 trlgG= -0.146597 logG= -0.028389 TDE= -0.171105 logGD-logG0= -0.005316 tlogG= -0.023890 logG= -0.029207 Density= 0.107681 ETOT(band)= -0.117011 trlgG= -0.147405 logG= -0.029207 TDE= -0.171484 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023659 logG= -0.028344 Density= 0.106516 ETOT(band)= -0.117046 trlgG= -0.146495 logG= -0.028344 TDE= -0.170861 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.023184 logG= -0.028490 Density= 0.107611 ETOT(band)= -0.116622 trlgG= -0.146253 logG= -0.028490 TDE= -0.171014 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.023957 logG= -0.029190 Density= 0.107371 ETOT(band)= -0.117134 trlgG= -0.147350 logG= -0.029190 TDE= -0.171292 logGD-logG0= -0.005290 tlogG= -0.024078 logG= -0.029368 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107818 ETOT(band)= -0.117052 trlgG= -0.147683 logG= -0.029368 TDE= -0.171669 logGD-logG0= -0.005276 tlogG= -0.023861 logG= -0.029136 Density= 0.107847 ETOT(band)= -0.116878 trlgG= -0.147296 logG= -0.029136 TDE= -0.171528 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.007302 logG= -0.008991 logGD-logG0= -0.005314 tlogG= -0.023570 logG= -0.028884 Density= 0.035818 ETOT(band)= -0.038602 trlgG= -0.047944 logG= -0.008991 TDE= -0.056678 Density= 0.107730 ETOT(band)= -0.116782 trlgG= -0.146882 logG= -0.028884 TDE= -0.171309 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009792 tlogG= -0.048225 logG= -0.058017 logGD-logG0= -0.001624 tlogG= -0.006987 logG= -0.008611 Density= 0.036173 ETOT(band)= -0.038150 trlgG= -0.047280 logG= -0.008611 TDE= -0.056569 Density= 0.214251 ETOT(band)= -0.234312 trlgG= -0.294617 logG= -0.058017 TDE= -0.342622 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009658 tlogG= -0.047141 logG= -0.056799 Density= 0.213609 ETOT(band)= -0.233911 trlgG= -0.293047 logG= -0.056799 TDE= -0.341952 logGD-logG0= -0.009756 tlogG= -0.045571 logG= -0.055327 Density= 0.214207 ETOT(band)= -0.232822 trlgG= -0.290403 logG= -0.055327 TDE= -0.341076 logGD-logG0= -0.009475 tlogG= -0.045740 logG= -0.055215 Density= 0.214868 ETOT(band)= -0.232466 trlgG= -0.290219 logG= -0.055215 TDE= -0.341331 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009119 tlogG= -0.047613 logG= -0.056732 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212760 ETOT(band)= -0.234218 trlgG= -0.293124 logG= -0.056732 TDE= -0.341676 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009939 tlogG= -0.047882 logG= -0.057821 Density= 0.213815 ETOT(band)= -0.234354 trlgG= -0.294310 logG= -0.057821 TDE= -0.342295 logGD-logG0= -0.005264 tlogG= -0.024049 logG= -0.029314 logGD-logG0= -0.002402 tlogG= -0.010419 logG= -0.012821 Density= 0.054345 ETOT(band)= -0.057107 trlgG= -0.070741 logG= -0.012821 TDE= -0.084812 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009550 tlogG= -0.047910 logG= -0.057460 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010514 tlogG= -0.047727 logG= -0.058241 Density= 0.107878 ETOT(band)= -0.116984 trlgG= -0.147593 logG= -0.029314 TDE= -0.171663 Density= 0.214611 ETOT(band)= -0.234232 trlgG= -0.294453 logG= -0.058241 TDE= -0.342412 Density= 0.213111 ETOT(band)= -0.234424 trlgG= -0.293768 logG= -0.057460 TDE= -0.341766 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009822 tlogG= -0.047134 logG= -0.056956 logGD-logG0= -0.009430 tlogG= -0.047428 logG= -0.056859 Density= 0.214158 ETOT(band)= -0.233737 trlgG= -0.293172 logG= -0.056859 TDE= -0.342290 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010469 tlogG= -0.048061 logG= -0.058530 Density= 0.213620 ETOT(band)= -0.233955 trlgG= -0.292838 logG= -0.056956 TDE= -0.341593 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214927 ETOT(band)= -0.234283 trlgG= -0.294961 logG= -0.058530 TDE= -0.342788 logGD-logG0= -0.010318 tlogG= -0.047958 logG= -0.058277 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214930 ETOT(band)= -0.234138 trlgG= -0.294545 logG= -0.058277 TDE= -0.342626 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010379 tlogG= -0.047766 logG= -0.058146 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047510 logG= -0.058112 Density= 0.214509 ETOT(band)= -0.234227 trlgG= -0.294285 logG= -0.058146 TDE= -0.342289 Density= 0.215562 ETOT(band)= -0.233723 trlgG= -0.294325 logG= -0.058112 TDE= -0.342884 logGD-logG0= -0.009860 tlogG= -0.045629 logG= -0.055489 logGD-logG0= -0.010409 tlogG= -0.047287 logG= -0.057695 Density= 0.214110 ETOT(band)= -0.234130 trlgG= -0.293536 logG= -0.057695 TDE= -0.341793 Density= 0.215001 ETOT(band)= -0.232540 trlgG= -0.290209 logG= -0.055489 TDE= -0.341113 logGD-logG0= -0.010616 tlogG= -0.046855 logG= -0.057471 logGD-logG0= -0.010062 tlogG= -0.048009 logG= -0.058071 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010551 tlogG= -0.047994 logG= -0.058545 Density= 0.215288 ETOT(band)= -0.233489 trlgG= -0.293286 logG= -0.057471 TDE= -0.342350 Density= 0.214964 ETOT(band)= -0.234274 trlgG= -0.294989 logG= -0.058545 TDE= -0.342819 logGD-logG0= -0.010527 tlogG= -0.047923 logG= -0.058450 Density= 0.214383 ETOT(band)= -0.234257 trlgG= -0.294364 logG= -0.058071 TDE= -0.342380 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215760 ETOT(band)= -0.233838 trlgG= -0.294886 logG= -0.058450 TDE= -0.343205 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010665 tlogG= -0.048123 logG= -0.058788 logGD-logG0= -0.010181 tlogG= -0.047640 logG= -0.057821 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215283 ETOT(band)= -0.234297 trlgG= -0.295424 logG= -0.058788 TDE= -0.343169 Density= 0.213795 ETOT(band)= -0.234341 trlgG= -0.294062 logG= -0.057821 TDE= -0.342037 logGD-logG0= -0.010175 tlogG= -0.046390 logG= -0.056566 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215070 ETOT(band)= -0.233101 trlgG= -0.291844 logG= -0.056566 TDE= -0.341706 logGD-logG0= -0.009786 tlogG= -0.047205 logG= -0.056990 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214326 ETOT(band)= -0.233696 trlgG= -0.292943 logG= -0.056990 TDE= -0.342012 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.047872 logG= -0.058454 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215631 ETOT(band)= -0.233912 trlgG= -0.294890 logG= -0.058454 TDE= -0.343141 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010574 tlogG= -0.047398 logG= -0.057972 Density= 0.215327 ETOT(band)= -0.233766 trlgG= -0.294088 logG= -0.057972 TDE= -0.342670 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004903 tlogG= -0.021551 logG= -0.026454 logGD-logG0= -0.010087 tlogG= -0.047131 logG= -0.057218 Density= 0.108446 ETOT(band)= -0.114950 trlgG= -0.142921 logG= -0.026454 TDE= -0.170131 Density= 0.215006 ETOT(band)= -0.233503 trlgG= -0.292863 logG= -0.057218 TDE= -0.342041 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004821 tlogG= -0.020976 logG= -0.025797 Density= 0.108644 ETOT(band)= -0.114361 trlgG= -0.141762 logG= -0.025797 TDE= -0.169727 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004990 tlogG= -0.021862 logG= -0.026852 Density= 0.108254 ETOT(band)= -0.115318 trlgG= -0.143603 logG= -0.026852 TDE= -0.170321 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004327 tlogG= -0.024043 logG= -0.028369 logGD-logG0= -0.005009 tlogG= -0.021684 logG= -0.026693 Density= 0.106031 ETOT(band)= -0.117257 trlgG= -0.146906 logG= -0.028369 TDE= -0.171006 Density= 0.107859 ETOT(band)= -0.115418 trlgG= -0.143358 logG= -0.026693 TDE= -0.170039 logGD-logG0= -0.005069 tlogG= -0.021807 logG= -0.026876 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107714 ETOT(band)= -0.115612 trlgG= -0.143669 logG= -0.026876 TDE= -0.170096 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010012 tlogG= -0.043368 logG= -0.053380 Density= 0.216136 ETOT(band)= -0.230622 trlgG= -0.286689 logG= -0.053380 TDE= -0.340264 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005616 logG= -0.006853 Density= 0.080783 ETOT(band)= -0.087028 trlgG= -0.108690 logG= -0.006853 TDE= -0.042686 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004578 tlogG= -0.023963 logG= -0.028541 Density= 0.212643 ETOT(band)= -0.234455 trlgG= -0.293727 logG= -0.028541 TDE= -0.170897 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.022957 logG= -0.028134 Density= 0.216087 ETOT(band)= -0.232235 trlgG= -0.290800 logG= -0.028134 TDE= -0.170966 logGD-logG0= -0.005204 tlogG= -0.023405 logG= -0.028609 Density= 0.216062 ETOT(band)= -0.232809 trlgG= -0.292417 logG= -0.028609 TDE= -0.171254 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023997 logG= -0.028736 Density= 0.213968 ETOT(band)= -0.234257 trlgG= -0.294362 logG= -0.028736 TDE= -0.171296 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023183 logG= -0.028352 Density= 0.214719 ETOT(band)= -0.233118 trlgG= -0.291445 logG= -0.028352 TDE= -0.170685 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005465 logG= -0.006689 Density= 0.081148 ETOT(band)= -0.086411 trlgG= -0.107447 logG= -0.006689 TDE= -0.042588 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004791 tlogG= -0.022317 logG= -0.027107 Density= 0.214878 ETOT(band)= -0.232117 trlgG= -0.289312 logG= -0.027107 TDE= -0.170319 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001433 tlogG= -0.007963 logG= -0.009396 Density= 0.070810 ETOT(band)= -0.078011 trlgG= -0.097535 logG= -0.009396 TDE= -0.056984 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004433 tlogG= -0.023731 logG= -0.028164 Density= 0.212921 ETOT(band)= -0.233767 trlgG= -0.292004 logG= -0.028164 TDE= -0.170846 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001580 tlogG= -0.006869 logG= -0.008449 Density= 0.040824 ETOT(band)= -0.042699 trlgG= -0.052834 logG= -0.008449 TDE= -0.056483 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001257 tlogG= -0.005745 logG= -0.007002 Density= 0.080581 ETOT(band)= -0.087458 trlgG= -0.109695 logG= -0.007002 TDE= -0.042763 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022895 logG= -0.027861 Density= 0.214645 ETOT(band)= -0.232566 trlgG= -0.289913 logG= -0.027861 TDE= -0.170497 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007585 logG= -0.009157 Density= 0.071445 ETOT(band)= -0.077404 trlgG= -0.096231 logG= -0.009157 TDE= -0.056760 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080594 ETOT(band)= -0.087673 trlgG= -0.110250 logG= -0.007125 TDE= -0.042828 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005936 logG= -0.007213 Density= 0.080779 ETOT(band)= -0.087706 trlgG= -0.110446 logG= -0.007213 TDE= -0.042882 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023578 logG= -0.028065 Density= 0.212450 ETOT(band)= -0.234179 trlgG= -0.292983 logG= -0.028065 TDE= -0.170761 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005981 logG= -0.007256 Density= 0.081010 ETOT(band)= -0.087607 trlgG= -0.110497 logG= -0.007256 TDE= -0.042912 logGD-logG0= -0.005220 tlogG= -0.023992 logG= -0.029212 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215548 ETOT(band)= -0.234013 trlgG= -0.295046 logG= -0.029212 TDE= -0.171644 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001185 tlogG= -0.005168 logG= -0.006353 Density= 0.062495 ETOT(band)= -0.067594 trlgG= -0.084274 logG= -0.006353 TDE= -0.042375 logGD-logG0= -0.004603 tlogG= -0.023880 logG= -0.028484 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213119 ETOT(band)= -0.234040 trlgG= -0.292730 logG= -0.028484 TDE= -0.170848 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023790 logG= -0.029044 Density= 0.215193 ETOT(band)= -0.233922 trlgG= -0.294391 logG= -0.029044 TDE= -0.171492 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023470 logG= -0.028721 Density= 0.215071 ETOT(band)= -0.233488 trlgG= -0.293128 logG= -0.028721 TDE= -0.171234 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023990 logG= -0.029174 Density= 0.216223 ETOT(band)= -0.233489 trlgG= -0.294560 logG= -0.029174 TDE= -0.171661 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004771 tlogG= -0.023996 logG= -0.028767 Density= 0.321340 ETOT(band)= -0.351361 trlgG= -0.441683 logG= -0.028767 TDE= -0.171291 logGD-logG0= -0.005077 tlogG= -0.023947 logG= -0.029024 Density= 0.214190 ETOT(band)= -0.234263 trlgG= -0.294144 logG= -0.029024 TDE= -0.171129 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022427 logG= -0.027543 Density= 0.216231 ETOT(band)= -0.231437 trlgG= -0.288812 logG= -0.027543 TDE= -0.170631 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004944 tlogG= -0.022282 logG= -0.027227 logGD-logG0= -0.001692 tlogG= -0.007113 logG= -0.008805 Density= 0.072184 ETOT(band)= -0.076529 trlgG= -0.094909 logG= -0.008805 TDE= -0.056644 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010397 tlogG= -0.047767 logG= -0.058164 Density= 0.324150 ETOT(band)= -0.350140 trlgG= -0.441341 logG= -0.058164 TDE= -0.343163 Density= 0.214103 ETOT(band)= -0.232612 trlgG= -0.289672 logG= -0.027227 TDE= -0.170233 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.023834 logG= -0.028908 Density= 0.215356 ETOT(band)= -0.233917 trlgG= -0.294496 logG= -0.028908 TDE= -0.171180 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.024152 logG= -0.029195 Density= 0.322224 ETOT(band)= -0.351466 trlgG= -0.442357 logG= -0.029195 TDE= -0.171297 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023947 logG= -0.029123 Density= 0.216257 ETOT(band)= -0.233384 trlgG= -0.294327 logG= -0.029123 TDE= -0.171634 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.024073 logG= -0.029321 Density= 0.322851 ETOT(band)= -0.351433 trlgG= -0.443006 logG= -0.029321 TDE= -0.171491 logGD-logG0= -0.004918 tlogG= -0.023871 logG= -0.028790 logGD-logG0= -0.009679 tlogG= -0.046584 logG= -0.056263 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322484 ETOT(band)= -0.349257 trlgG= -0.436734 logG= -0.056263 TDE= -0.341740 Density= 0.213631 ETOT(band)= -0.234183 trlgG= -0.293240 logG= -0.028790 TDE= -0.170860 logGD-logG0= -0.005197 tlogG= -0.023752 logG= -0.028949 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216144 ETOT(band)= -0.233187 trlgG= -0.293624 logG= -0.028949 TDE= -0.171493 logGD-logG0= -0.010172 tlogG= -0.045606 logG= -0.055778 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323833 ETOT(band)= -0.348177 trlgG= -0.435287 logG= -0.055778 TDE= -0.341586 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024113 logG= -0.029427 Density= 0.215581 ETOT(band)= -0.234169 trlgG= -0.295462 logG= -0.029427 TDE= -0.171678 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023233 logG= -0.028261 logGD-logG0= -0.010687 tlogG= -0.048020 logG= -0.058706 Density= 0.323038 ETOT(band)= -0.351223 trlgG= -0.442700 logG= -0.058706 TDE= -0.343158 logGD-logG0= -0.004681 tlogG= -0.023358 logG= -0.028039 logGD-logG0= -0.005362 tlogG= -0.023889 logG= -0.029251 logGD-logG0= -0.004834 tlogG= -0.023827 logG= -0.028661 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010444 tlogG= -0.047215 logG= -0.057660 Density= 0.323929 ETOT(band)= -0.349775 trlgG= -0.439994 logG= -0.057660 TDE= -0.342770 Density= 0.321477 ETOT(band)= -0.350818 trlgG= -0.439956 logG= -0.028261 TDE= -0.170920 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321407 ETOT(band)= -0.350313 trlgG= -0.439105 logG= -0.028039 TDE= -0.170966 Density= 0.215507 ETOT(band)= -0.233915 trlgG= -0.294773 logG= -0.029251 TDE= -0.171501 Density= 0.213415 ETOT(band)= -0.234324 trlgG= -0.293978 logG= -0.028661 TDE= -0.171115 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010443 tlogG= -0.046393 logG= -0.056836 Density= 0.323789 ETOT(band)= -0.349120 trlgG= -0.437909 logG= -0.056836 TDE= -0.342212 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023361 logG= -0.028010 logGD-logG0= -0.004781 tlogG= -0.023235 logG= -0.028016 Density= 0.213338 ETOT(band)= -0.233792 trlgG= -0.292461 logG= -0.028016 TDE= -0.170811 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214029 ETOT(band)= -0.233544 trlgG= -0.292567 logG= -0.028010 TDE= -0.170974 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005304 logG= -0.006508 logGD-logG0= -0.005347 tlogG= -0.023948 logG= -0.029295 Density= 0.323455 ETOT(band)= -0.350891 trlgG= -0.442438 logG= -0.029295 TDE= -0.171549 Density= 0.081509 ETOT(band)= -0.085740 trlgG= -0.106283 logG= -0.006508 TDE= -0.042477 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009638 tlogG= -0.047821 logG= -0.057459 Density= 0.427729 ETOT(band)= -0.468500 trlgG= -0.588311 logG= -0.057459 TDE= -0.342398 logGD-logG0= -0.005017 tlogG= -0.024147 logG= -0.029164 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214595 ETOT(band)= -0.234332 trlgG= -0.294755 logG= -0.029164 TDE= -0.171302 logGD-logG0= -0.005411 tlogG= -0.023675 logG= -0.029086 Density= 0.215267 ETOT(band)= -0.233770 trlgG= -0.294077 logG= -0.029086 TDE= -0.171324 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023342 logG= -0.028778 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214962 ETOT(band)= -0.233515 trlgG= -0.292939 logG= -0.028778 TDE= -0.171030 logGD-logG0= -0.009446 tlogG= -0.046694 logG= -0.056140 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008959 tlogG= -0.048078 logG= -0.057037 Density= 0.427575 ETOT(band)= -0.466476 trlgG= -0.582310 logG= -0.056140 TDE= -0.341352 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010141 tlogG= -0.048129 logG= -0.058270 Density= 0.425201 ETOT(band)= -0.468709 trlgG= -0.586944 logG= -0.057037 TDE= -0.341910 Density= 0.429006 ETOT(band)= -0.468599 trlgG= -0.589073 logG= -0.058270 TDE= -0.342444 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010254 tlogG= -0.047648 logG= -0.057902 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427986 ETOT(band)= -0.468479 trlgG= -0.587641 logG= -0.057902 TDE= -0.342039 logGD-logG0= -0.009499 tlogG= -0.046588 logG= -0.056086 Density= 0.427785 ETOT(band)= -0.467196 trlgG= -0.584915 logG= -0.056086 TDE= -0.341767 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010311 tlogG= -0.047937 logG= -0.058247 logGD-logG0= -0.010486 tlogG= -0.048049 logG= -0.058535 Density= 0.429856 ETOT(band)= -0.468427 trlgG= -0.589512 logG= -0.058535 TDE= -0.342788 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428908 ETOT(band)= -0.468562 trlgG= -0.588724 logG= -0.058247 TDE= -0.342287 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010751 tlogG= -0.047675 logG= -0.058426 Density= 0.430813 ETOT(band)= -0.467783 trlgG= -0.589145 logG= -0.058426 TDE= -0.342911 logGD-logG0= -0.010275 tlogG= -0.048201 logG= -0.058475 Density= 0.429749 ETOT(band)= -0.468597 trlgG= -0.589841 logG= -0.058475 TDE= -0.342663 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009651 tlogG= -0.047629 logG= -0.057280 Density= 0.426351 ETOT(band)= -0.468725 trlgG= -0.587458 logG= -0.057280 TDE= -0.341931 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009814 tlogG= -0.047833 logG= -0.057647 Density= 0.428838 ETOT(band)= -0.468265 trlgG= -0.588271 logG= -0.057647 TDE= -0.342383 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.047748 logG= -0.057353 Density= 0.426858 ETOT(band)= -0.468270 trlgG= -0.586303 logG= -0.057353 TDE= -0.341632 logGD-logG0= -0.010654 tlogG= -0.047706 logG= -0.058360 Density= 0.430468 ETOT(band)= -0.467843 trlgG= -0.588790 logG= -0.058360 TDE= -0.342804 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009928 tlogG= -0.046380 logG= -0.056309 logGD-logG0= -0.009995 tlogG= -0.047540 logG= -0.057535 logGD-logG0= -0.004904 tlogG= -0.021288 logG= -0.026192 Density= 0.162548 ETOT(band)= -0.173097 trlgG= -0.216069 logG= -0.026192 TDE= -0.169944 Density= 0.429229 ETOT(band)= -0.465890 trlgG= -0.581968 logG= -0.056309 TDE= -0.341461 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428303 ETOT(band)= -0.467822 trlgG= -0.586674 logG= -0.057535 TDE= -0.342083 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010675 tlogG= -0.048000 logG= -0.058675 Density= 0.431056 ETOT(band)= -0.468064 trlgG= -0.590138 logG= -0.058675 TDE= -0.343176 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.047246 logG= -0.057959 Density= 0.430194 ETOT(band)= -0.467421 trlgG= -0.587318 logG= -0.057959 TDE= -0.342420 logGD-logG0= -0.010314 tlogG= -0.046909 logG= -0.057223 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429584 ETOT(band)= -0.466801 trlgG= -0.584669 logG= -0.057223 TDE= -0.341755 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022464 logG= -0.027377 Density= 0.214871 ETOT(band)= -0.231828 trlgG= -0.288266 logG= -0.027377 TDE= -0.170246 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.047549 logG= -0.057787 Density= 0.429718 ETOT(band)= -0.467447 trlgG= -0.586600 logG= -0.057787 TDE= -0.342200 logGD-logG0= -0.004831 tlogG= -0.022317 logG= -0.027148 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322650 ETOT(band)= -0.348225 trlgG= -0.434343 logG= -0.027148 TDE= -0.170313 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004945 tlogG= -0.021193 logG= -0.026138 Density= 0.216204 ETOT(band)= -0.230192 trlgG= -0.285745 logG= -0.026138 TDE= -0.169864 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009961 tlogG= -0.044600 logG= -0.054561 Density= 0.324075 ETOT(band)= -0.346906 trlgG= -0.432272 logG= -0.054561 TDE= -0.340907 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.021867 logG= -0.026944 Density= 0.216489 ETOT(band)= -0.230437 trlgG= -0.286690 logG= -0.026944 TDE= -0.170290 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004301 tlogG= -0.024123 logG= -0.028424 Density= 0.212000 ETOT(band)= -0.234564 trlgG= -0.293935 logG= -0.028424 TDE= -0.171045 logGD-logG0= -0.004987 tlogG= -0.021338 logG= -0.026325 Density= 0.216885 ETOT(band)= -0.229325 trlgG= -0.284481 logG= -0.026325 TDE= -0.169957 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.044604 logG= -0.054413 Density= 0.431317 ETOT(band)= -0.462398 trlgG= -0.575165 logG= -0.054413 TDE= -0.340546 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.048466119059 eV TrLogG= -407.481413329986 eV Ratio to renormalize= 1.000716264880 rho-rho_expected=-0.015746548661 nargs= 1 argi=dmft2.def 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 60) Finished k-point number 122 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964818781949696 0.940714256556498 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011444 logG= -0.013777 Density= 0.053699 ETOT(band)= -0.058112 trlgG= -0.072556 logG= -0.013777 TDE= -0.085352 logGD-logG0= -0.002327 tlogG= -0.011880 logG= -0.014207 Density= 0.053523 ETOT(band)= -0.058444 trlgG= -0.073322 logG= -0.014207 TDE= -0.085602 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.022159 logG= -0.027114 Density= 0.108291 ETOT(band)= -0.115506 trlgG= -0.144058 logG= -0.027114 TDE= -0.170533 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.023207 logG= -0.028304 Density= 0.108127 ETOT(band)= -0.116279 trlgG= -0.145972 logG= -0.028304 TDE= -0.171174 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023676 logG= -0.028966 Density= 0.107157 ETOT(band)= -0.117087 trlgG= -0.146962 logG= -0.028966 TDE= -0.171022 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.022866 logG= -0.027980 logGD-logG0= -0.004685 tlogG= -0.023661 logG= -0.028345 Density= 0.106517 ETOT(band)= -0.117050 trlgG= -0.146501 logG= -0.028345 TDE= -0.170866 Density= 0.107543 ETOT(band)= -0.116379 trlgG= -0.145450 logG= -0.027980 TDE= -0.170688 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.024062 logG= -0.028947 Density= 0.106980 ETOT(band)= -0.117182 trlgG= -0.147279 logG= -0.028947 TDE= -0.171271 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002422 tlogG= -0.012078 logG= -0.014500 Density= 0.053547 ETOT(band)= -0.058588 trlgG= -0.073684 logG= -0.014500 TDE= -0.085682 logGD-logG0= -0.002604 tlogG= -0.012028 logG= -0.014632 Density= 0.053727 ETOT(band)= -0.058575 trlgG= -0.073741 logG= -0.014632 TDE= -0.085696 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007809 logG= -0.009296 Density= 0.035464 ETOT(band)= -0.038956 trlgG= -0.048647 logG= -0.009296 TDE= -0.056901 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001407 tlogG= -0.008042 logG= -0.009449 Density= 0.035284 ETOT(band)= -0.039109 trlgG= -0.049013 logG= -0.009449 TDE= -0.057025 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023422 logG= -0.028568 Density= 0.108063 ETOT(band)= -0.116456 trlgG= -0.146392 logG= -0.028568 TDE= -0.171299 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.022448 logG= -0.027485 logGD-logG0= -0.002628 tlogG= -0.011984 logG= -0.014612 logGD-logG0= -0.004327 tlogG= -0.024045 logG= -0.028371 Density= 0.106032 ETOT(band)= -0.117260 trlgG= -0.146911 logG= -0.028371 TDE= -0.171010 Density= 0.108134 ETOT(band)= -0.115813 trlgG= -0.144668 logG= -0.027485 TDE= -0.170694 logGD-logG0= -0.002559 tlogG= -0.011980 logG= -0.014539 Density= 0.053949 ETOT(band)= -0.058456 trlgG= -0.073723 logG= -0.014612 TDE= -0.085807 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054105 ETOT(band)= -0.058334 trlgG= -0.073600 logG= -0.014539 TDE= -0.085835 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023756 logG= -0.028906 Density= 0.108112 ETOT(band)= -0.116618 trlgG= -0.146927 logG= -0.028906 TDE= -0.171520 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024062 logG= -0.029346 Density= 0.107572 ETOT(band)= -0.117150 trlgG= -0.147628 logG= -0.029346 TDE= -0.171514 logGD-logG0= -0.004551 tlogG= -0.024038 logG= -0.028589 Density= 0.106306 ETOT(band)= -0.117246 trlgG= -0.146917 logG= -0.028589 TDE= -0.170933 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.024084 logG= -0.029082 Density= 0.107306 ETOT(band)= -0.117117 trlgG= -0.147249 logG= -0.029082 TDE= -0.171267 logGD-logG0= -0.005137 tlogG= -0.023943 logG= -0.029080 Density= 0.108163 ETOT(band)= -0.116692 trlgG= -0.147205 logG= -0.029080 TDE= -0.171650 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004834 tlogG= -0.023680 logG= -0.028514 Density= 0.107305 ETOT(band)= -0.116807 trlgG= -0.146507 logG= -0.028514 TDE= -0.171093 logGD-logG0= -0.005289 tlogG= -0.024081 logG= -0.029370 logGD-logG0= -0.005316 tlogG= -0.023892 logG= -0.029208 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004353 tlogG= -0.023968 logG= -0.028321 Density= 0.106084 ETOT(band)= -0.117216 trlgG= -0.146797 logG= -0.028321 TDE= -0.170972 Density= 0.107819 ETOT(band)= -0.117056 trlgG= -0.147689 logG= -0.029370 TDE= -0.171674 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023198 logG= -0.027823 Density= 0.106655 ETOT(band)= -0.116711 trlgG= -0.145586 logG= -0.027823 TDE= -0.170540 logGD-logG0= -0.005032 tlogG= -0.022724 logG= -0.027757 Density= 0.107682 ETOT(band)= -0.117015 trlgG= -0.147411 logG= -0.029208 TDE= -0.171489 logGD-logG0= -0.005127 tlogG= -0.023597 logG= -0.028725 logGD-logG0= -0.005004 tlogG= -0.023633 logG= -0.028637 Density= 0.106901 ETOT(band)= -0.117018 trlgG= -0.146413 logG= -0.028637 TDE= -0.170676 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022974 logG= -0.028079 Density= 0.108137 ETOT(band)= -0.116502 trlgG= -0.146636 logG= -0.028725 TDE= -0.171423 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022400 logG= -0.027413 Density= 0.107560 ETOT(band)= -0.116045 trlgG= -0.144553 logG= -0.027413 TDE= -0.170366 Density= 0.108067 ETOT(band)= -0.116186 trlgG= -0.145617 logG= -0.028079 TDE= -0.171015 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023864 logG= -0.028988 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108180 ETOT(band)= -0.115949 trlgG= -0.145104 logG= -0.027757 TDE= -0.170880 Density= 0.108184 ETOT(band)= -0.116627 trlgG= -0.147056 logG= -0.028988 TDE= -0.171603 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.022841 logG= -0.027706 logGD-logG0= -0.005233 tlogG= -0.023959 logG= -0.029192 Density= 0.107372 ETOT(band)= -0.117138 trlgG= -0.147356 logG= -0.029192 TDE= -0.171297 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004739 tlogG= -0.023492 logG= -0.028231 Density= 0.106693 ETOT(band)= -0.116902 trlgG= -0.146068 logG= -0.028231 TDE= -0.170635 logGD-logG0= -0.005322 tlogG= -0.024127 logG= -0.029449 Density= 0.107675 ETOT(band)= -0.116173 trlgG= -0.145036 logG= -0.027706 TDE= -0.170613 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004712 tlogG= -0.023679 logG= -0.028391 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107742 ETOT(band)= -0.117145 trlgG= -0.147816 logG= -0.029449 TDE= -0.171682 Density= 0.106898 ETOT(band)= -0.116929 trlgG= -0.146603 logG= -0.028391 TDE= -0.171110 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023883 logG= -0.028794 Density= 0.106678 ETOT(band)= -0.117203 trlgG= -0.147027 logG= -0.028794 TDE= -0.171023 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.022844 logG= -0.027587 Density= 0.107221 ETOT(band)= -0.116322 trlgG= -0.145166 logG= -0.027587 TDE= -0.170638 logGD-logG0= -0.005313 tlogG= -0.023572 logG= -0.028885 Density= 0.107731 ETOT(band)= -0.116786 trlgG= -0.146888 logG= -0.028885 TDE= -0.171313 logGD-logG0= -0.005275 tlogG= -0.023863 logG= -0.029138 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107848 ETOT(band)= -0.116881 trlgG= -0.147302 logG= -0.029138 TDE= -0.171533 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.023186 logG= -0.028492 logGD-logG0= -0.005264 tlogG= -0.024052 logG= -0.029316 Density= 0.107612 ETOT(band)= -0.116626 trlgG= -0.146260 logG= -0.028492 TDE= -0.171019 Density= 0.107879 ETOT(band)= -0.116988 trlgG= -0.147599 logG= -0.029316 TDE= -0.171668 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009474 tlogG= -0.045745 logG= -0.055219 Density= 0.214869 ETOT(band)= -0.232473 trlgG= -0.290230 logG= -0.055219 TDE= -0.341340 logGD-logG0= -0.002402 tlogG= -0.010421 logG= -0.012822 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054345 ETOT(band)= -0.057109 trlgG= -0.070744 logG= -0.012822 TDE= -0.084815 logGD-logG0= -0.009119 tlogG= -0.047617 logG= -0.056735 logGD-logG0= -0.009658 tlogG= -0.047145 logG= -0.056803 Density= 0.212761 ETOT(band)= -0.234226 trlgG= -0.293135 logG= -0.056735 TDE= -0.341684 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009755 tlogG= -0.045575 logG= -0.055330 logGD-logG0= -0.009938 tlogG= -0.047886 logG= -0.057824 Density= 0.214209 ETOT(band)= -0.232829 trlgG= -0.290414 logG= -0.055330 TDE= -0.341085 Density= 0.213816 ETOT(band)= -0.234361 trlgG= -0.294321 logG= -0.057824 TDE= -0.342304 Density= 0.213610 ETOT(band)= -0.233919 trlgG= -0.293059 logG= -0.056803 TDE= -0.341961 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.048229 logG= -0.058021 logGD-logG0= -0.010318 tlogG= -0.047963 logG= -0.058280 logGD-logG0= -0.009430 tlogG= -0.047433 logG= -0.056862 Density= 0.214160 ETOT(band)= -0.233745 trlgG= -0.293184 logG= -0.056862 TDE= -0.342299 Density= 0.214932 ETOT(band)= -0.234146 trlgG= -0.294557 logG= -0.058280 TDE= -0.342636 Density= 0.214253 ETOT(band)= -0.234319 trlgG= -0.294629 logG= -0.058021 TDE= -0.342631 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010469 tlogG= -0.048065 logG= -0.058534 Density= 0.214929 ETOT(band)= -0.234290 trlgG= -0.294974 logG= -0.058534 TDE= -0.342798 logGD-logG0= -0.010062 tlogG= -0.048014 logG= -0.058075 logGD-logG0= -0.010514 tlogG= -0.047731 logG= -0.058245 Density= 0.214613 ETOT(band)= -0.234239 trlgG= -0.294465 logG= -0.058245 TDE= -0.342422 logGD-logG0= -0.009822 tlogG= -0.047137 logG= -0.056959 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214385 ETOT(band)= -0.234265 trlgG= -0.294376 logG= -0.058075 TDE= -0.342389 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010379 tlogG= -0.047771 logG= -0.058149 logGD-logG0= -0.001690 tlogG= -0.007302 logG= -0.008992 Density= 0.035819 ETOT(band)= -0.038604 trlgG= -0.047946 logG= -0.008992 TDE= -0.056679 Density= 0.214511 ETOT(band)= -0.234234 trlgG= -0.294297 logG= -0.058149 TDE= -0.342298 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010600 tlogG= -0.047515 logG= -0.058116 Density= 0.215564 ETOT(band)= -0.233731 trlgG= -0.294338 logG= -0.058116 TDE= -0.342894 logGD-logG0= -0.010551 tlogG= -0.047998 logG= -0.058549 Density= 0.214966 ETOT(band)= -0.234281 trlgG= -0.295001 logG= -0.058549 TDE= -0.342828 Density= 0.213622 ETOT(band)= -0.233962 trlgG= -0.292850 logG= -0.056959 TDE= -0.341601 logGD-logG0= -0.010615 tlogG= -0.046860 logG= -0.057475 logGD-logG0= -0.009860 tlogG= -0.045633 logG= -0.055492 Density= 0.215003 ETOT(band)= -0.232547 trlgG= -0.290220 logG= -0.055492 TDE= -0.341122 Density= 0.215290 ETOT(band)= -0.233497 trlgG= -0.293298 logG= -0.057475 TDE= -0.342360 logGD-logG0= -0.010525 tlogG= -0.047928 logG= -0.058454 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001624 tlogG= -0.006988 logG= -0.008612 Density= 0.036174 ETOT(band)= -0.038151 trlgG= -0.047282 logG= -0.008612 TDE= -0.056571 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215762 ETOT(band)= -0.233846 trlgG= -0.294899 logG= -0.058454 TDE= -0.343215 logGD-logG0= -0.010181 tlogG= -0.047644 logG= -0.057825 Density= 0.213797 ETOT(band)= -0.234348 trlgG= -0.294073 logG= -0.057825 TDE= -0.342046 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.047290 logG= -0.057699 Density= 0.214112 ETOT(band)= -0.234138 trlgG= -0.293548 logG= -0.057699 TDE= -0.341802 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.047402 logG= -0.057976 Density= 0.215329 ETOT(band)= -0.233774 trlgG= -0.294100 logG= -0.057976 TDE= -0.342680 logGD-logG0= -0.010664 tlogG= -0.048128 logG= -0.058792 Density= 0.215285 ETOT(band)= -0.234305 trlgG= -0.295436 logG= -0.058792 TDE= -0.343178 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.046394 logG= -0.056569 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009785 tlogG= -0.047209 logG= -0.056994 Density= 0.215072 ETOT(band)= -0.233109 trlgG= -0.291856 logG= -0.056569 TDE= -0.341715 logGD-logG0= -0.010580 tlogG= -0.047877 logG= -0.058458 Density= 0.215633 ETOT(band)= -0.233920 trlgG= -0.294902 logG= -0.058458 TDE= -0.343151 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214328 ETOT(band)= -0.233704 trlgG= -0.292955 logG= -0.056994 TDE= -0.342021 logGD-logG0= -0.002462 tlogG= -0.010837 logG= -0.013299 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054028 ETOT(band)= -0.057629 trlgG= -0.071594 logG= -0.013299 TDE= -0.085031 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009551 tlogG= -0.047914 logG= -0.057464 Density= 0.213113 ETOT(band)= -0.234431 trlgG= -0.293780 logG= -0.057464 TDE= -0.341775 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010087 tlogG= -0.047135 logG= -0.057222 Density= 0.215008 ETOT(band)= -0.233511 trlgG= -0.292875 logG= -0.057222 TDE= -0.342050 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021865 logG= -0.026854 Density= 0.108255 ETOT(band)= -0.115322 trlgG= -0.143609 logG= -0.026854 TDE= -0.170326 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004903 tlogG= -0.021554 logG= -0.026456 Density= 0.108447 ETOT(band)= -0.114954 trlgG= -0.142927 logG= -0.026456 TDE= -0.170136 logGD-logG0= -0.004821 tlogG= -0.020978 logG= -0.025799 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108645 ETOT(band)= -0.114364 trlgG= -0.141768 logG= -0.025799 TDE= -0.169732 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005068 tlogG= -0.021810 logG= -0.026878 Density= 0.107715 ETOT(band)= -0.115616 trlgG= -0.143675 logG= -0.026878 TDE= -0.170100 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004711 tlogG= -0.022982 logG= -0.027694 Density= 0.106792 ETOT(band)= -0.116579 trlgG= -0.145322 logG= -0.027694 TDE= -0.170475 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010011 tlogG= -0.043372 logG= -0.053383 Density= 0.216138 ETOT(band)= -0.230630 trlgG= -0.286701 logG= -0.053383 TDE= -0.340273 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005008 tlogG= -0.021686 logG= -0.026695 Density= 0.107859 ETOT(band)= -0.115422 trlgG= -0.143364 logG= -0.026695 TDE= -0.170044 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001237 tlogG= -0.005617 logG= -0.006853 Density= 0.080784 ETOT(band)= -0.087030 trlgG= -0.108694 logG= -0.006853 TDE= -0.042687 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005745 logG= -0.007003 Density= 0.080582 ETOT(band)= -0.087461 trlgG= -0.109699 logG= -0.007003 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023407 logG= -0.028611 Density= 0.216064 ETOT(band)= -0.232816 trlgG= -0.292429 logG= -0.028611 TDE= -0.171259 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.023950 logG= -0.029026 Density= 0.214191 ETOT(band)= -0.234271 trlgG= -0.294156 logG= -0.029026 TDE= -0.171134 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004781 tlogG= -0.023237 logG= -0.028018 Density= 0.213339 ETOT(band)= -0.233799 trlgG= -0.292473 logG= -0.028018 TDE= -0.170815 logGD-logG0= -0.004738 tlogG= -0.024000 logG= -0.028738 Density= 0.213970 ETOT(band)= -0.234265 trlgG= -0.294373 logG= -0.028738 TDE= -0.171301 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023185 logG= -0.028354 Density= 0.214720 ETOT(band)= -0.233126 trlgG= -0.291458 logG= -0.028354 TDE= -0.170690 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022430 logG= -0.027545 Density= 0.216232 ETOT(band)= -0.231444 trlgG= -0.288824 logG= -0.027545 TDE= -0.170636 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001433 tlogG= -0.007963 logG= -0.009396 Density= 0.070811 ETOT(band)= -0.078014 trlgG= -0.097538 logG= -0.009396 TDE= -0.056986 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005937 logG= -0.007213 Density= 0.080780 ETOT(band)= -0.087709 trlgG= -0.110451 logG= -0.007213 TDE= -0.042884 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080595 ETOT(band)= -0.087676 trlgG= -0.110254 logG= -0.007125 TDE= -0.042829 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001185 tlogG= -0.005168 logG= -0.006354 Density= 0.062496 ETOT(band)= -0.067596 trlgG= -0.084277 logG= -0.006354 TDE= -0.042376 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001275 tlogG= -0.005982 logG= -0.007256 Density= 0.081011 ETOT(band)= -0.087610 trlgG= -0.110501 logG= -0.007256 TDE= -0.042914 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004433 tlogG= -0.023733 logG= -0.028166 Density= 0.212923 ETOT(band)= -0.233774 trlgG= -0.292015 logG= -0.028166 TDE= -0.170850 logGD-logG0= -0.001580 tlogG= -0.006870 logG= -0.008450 Density= 0.040824 ETOT(band)= -0.042701 trlgG= -0.052836 logG= -0.008450 TDE= -0.056485 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004301 tlogG= -0.024125 logG= -0.028426 Density= 0.212001 ETOT(band)= -0.234572 trlgG= -0.293947 logG= -0.028426 TDE= -0.171049 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023580 logG= -0.028067 Density= 0.212452 ETOT(band)= -0.234186 trlgG= -0.292994 logG= -0.028067 TDE= -0.170765 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023994 logG= -0.029214 Density= 0.215550 ETOT(band)= -0.234021 trlgG= -0.295058 logG= -0.029214 TDE= -0.171649 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023792 logG= -0.029046 Density= 0.215195 ETOT(band)= -0.233930 trlgG= -0.294403 logG= -0.029046 TDE= -0.171496 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023882 logG= -0.028486 Density= 0.213121 ETOT(band)= -0.234048 trlgG= -0.292741 logG= -0.028486 TDE= -0.170853 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023472 logG= -0.028723 Density= 0.215073 ETOT(band)= -0.233496 trlgG= -0.293140 logG= -0.028723 TDE= -0.171239 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023992 logG= -0.029175 Density= 0.216225 ETOT(band)= -0.233496 trlgG= -0.294573 logG= -0.029175 TDE= -0.171666 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022897 logG= -0.027863 Density= 0.214646 ETOT(band)= -0.232573 trlgG= -0.289925 logG= -0.027863 TDE= -0.170501 logGD-logG0= -0.005314 tlogG= -0.024116 logG= -0.029429 Density= 0.215583 ETOT(band)= -0.234177 trlgG= -0.295474 logG= -0.029429 TDE= -0.171682 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.023836 logG= -0.028910 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215358 ETOT(band)= -0.233924 trlgG= -0.294509 logG= -0.028910 TDE= -0.171185 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007586 logG= -0.009157 logGD-logG0= -0.004681 tlogG= -0.023360 logG= -0.028041 Density= 0.321410 ETOT(band)= -0.350324 trlgG= -0.439122 logG= -0.028041 TDE= -0.170970 Density= 0.071446 ETOT(band)= -0.077406 trlgG= -0.096235 logG= -0.009157 TDE= -0.056761 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.024149 logG= -0.029166 logGD-logG0= -0.010396 tlogG= -0.047772 logG= -0.058168 Density= 0.214597 ETOT(band)= -0.234340 trlgG= -0.294767 logG= -0.029166 TDE= -0.171306 logGD-logG0= -0.004578 tlogG= -0.023965 logG= -0.028543 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212644 ETOT(band)= -0.234462 trlgG= -0.293739 logG= -0.028543 TDE= -0.170901 Density= 0.324153 ETOT(band)= -0.350151 trlgG= -0.441359 logG= -0.058168 TDE= -0.343172 logGD-logG0= -0.005196 tlogG= -0.023754 logG= -0.028951 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010443 tlogG= -0.047220 logG= -0.057663 Density= 0.216147 ETOT(band)= -0.233195 trlgG= -0.293636 logG= -0.028951 TDE= -0.171498 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010686 tlogG= -0.048024 logG= -0.058710 Density= 0.323932 ETOT(band)= -0.349786 trlgG= -0.440012 logG= -0.057663 TDE= -0.342780 logGD-logG0= -0.005176 tlogG= -0.023949 logG= -0.029125 Density= 0.216259 ETOT(band)= -0.233392 trlgG= -0.294339 logG= -0.029125 TDE= -0.171639 logGD-logG0= -0.004918 tlogG= -0.023873 logG= -0.028791 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.022959 logG= -0.028136 Density= 0.216089 ETOT(band)= -0.232243 trlgG= -0.290812 logG= -0.028136 TDE= -0.170971 Density= 0.323041 ETOT(band)= -0.351234 trlgG= -0.442718 logG= -0.058710 TDE= -0.343168 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213633 ETOT(band)= -0.234190 trlgG= -0.293252 logG= -0.028791 TDE= -0.170864 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004771 tlogG= -0.023998 logG= -0.028769 Density= 0.321343 ETOT(band)= -0.351373 trlgG= -0.441700 logG= -0.028769 TDE= -0.171296 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.024154 logG= -0.029197 Density= 0.322227 ETOT(band)= -0.351477 trlgG= -0.442375 logG= -0.029197 TDE= -0.171301 logGD-logG0= -0.010172 tlogG= -0.045610 logG= -0.055782 logGD-logG0= -0.005362 tlogG= -0.023892 logG= -0.029253 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215509 ETOT(band)= -0.233923 trlgG= -0.294785 logG= -0.029253 TDE= -0.171506 Density= 0.323836 ETOT(band)= -0.348188 trlgG= -0.435306 logG= -0.055782 TDE= -0.341596 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.024075 logG= -0.029323 logGD-logG0= -0.005410 tlogG= -0.023678 logG= -0.029088 Density= 0.322854 ETOT(band)= -0.351445 trlgG= -0.443024 logG= -0.029323 TDE= -0.171496 Density= 0.215269 ETOT(band)= -0.233777 trlgG= -0.294089 logG= -0.029088 TDE= -0.171328 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023235 logG= -0.028263 logGD-logG0= -0.005346 tlogG= -0.023951 logG= -0.029297 Density= 0.321480 ETOT(band)= -0.350829 trlgG= -0.439974 logG= -0.028263 TDE= -0.170925 Density= 0.323458 ETOT(band)= -0.350902 trlgG= -0.442457 logG= -0.029297 TDE= -0.171554 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009678 tlogG= -0.046589 logG= -0.056267 Density= 0.322487 ETOT(band)= -0.349269 trlgG= -0.436751 logG= -0.056267 TDE= -0.341748 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.023829 logG= -0.028663 Density= 0.213417 ETOT(band)= -0.234331 trlgG= -0.293990 logG= -0.028663 TDE= -0.171120 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008959 tlogG= -0.048081 logG= -0.057040 logGD-logG0= -0.004649 tlogG= -0.023363 logG= -0.028012 Density= 0.425204 ETOT(band)= -0.468724 trlgG= -0.586967 logG= -0.057040 TDE= -0.341919 Density= 0.214030 ETOT(band)= -0.233551 trlgG= -0.292579 logG= -0.028012 TDE= -0.170979 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009446 tlogG= -0.046698 logG= -0.056144 Density= 0.427578 ETOT(band)= -0.466491 trlgG= -0.582333 logG= -0.056144 TDE= -0.341361 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005304 logG= -0.006508 Density= 0.081510 ETOT(band)= -0.085743 trlgG= -0.106288 logG= -0.006508 TDE= -0.042478 logGD-logG0= -0.009637 tlogG= -0.047825 logG= -0.057462 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427733 ETOT(band)= -0.468515 trlgG= -0.588334 logG= -0.057462 TDE= -0.342407 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023344 logG= -0.028780 Density= 0.214964 ETOT(band)= -0.233522 trlgG= -0.292951 logG= -0.028780 TDE= -0.171035 logGD-logG0= -0.001692 tlogG= -0.007114 logG= -0.008805 Density= 0.072184 ETOT(band)= -0.076532 trlgG= -0.094913 logG= -0.008805 TDE= -0.056646 logGD-logG0= -0.004903 tlogG= -0.021291 logG= -0.026194 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162550 ETOT(band)= -0.173102 trlgG= -0.216078 logG= -0.026194 TDE= -0.169948 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010442 tlogG= -0.046398 logG= -0.056840 Density= 0.323792 ETOT(band)= -0.349131 trlgG= -0.437927 logG= -0.056840 TDE= -0.342221 logGD-logG0= -0.010141 tlogG= -0.048133 logG= -0.058274 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.048053 logG= -0.058538 Density= 0.429010 ETOT(band)= -0.468614 trlgG= -0.589097 logG= -0.058274 TDE= -0.342452 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429860 ETOT(band)= -0.468442 trlgG= -0.589536 logG= -0.058538 TDE= -0.342798 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010253 tlogG= -0.047652 logG= -0.057905 Density= 0.427989 ETOT(band)= -0.468495 trlgG= -0.587665 logG= -0.057905 TDE= -0.342048 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009813 tlogG= -0.047837 logG= -0.057651 logGD-logG0= -0.010310 tlogG= -0.047941 logG= -0.058251 Density= 0.428912 ETOT(band)= -0.468577 trlgG= -0.588748 logG= -0.058251 TDE= -0.342296 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428842 ETOT(band)= -0.468280 trlgG= -0.588294 logG= -0.057651 TDE= -0.342392 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009498 tlogG= -0.046592 logG= -0.056090 logGD-logG0= -0.010274 tlogG= -0.048205 logG= -0.058479 Density= 0.427788 ETOT(band)= -0.467211 trlgG= -0.584939 logG= -0.056090 TDE= -0.341775 Density= 0.429753 ETOT(band)= -0.468612 trlgG= -0.589865 logG= -0.058479 TDE= -0.342672 logGD-logG0= -0.010750 tlogG= -0.047680 logG= -0.058430 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430817 ETOT(band)= -0.467798 trlgG= -0.589169 logG= -0.058430 TDE= -0.342920 logGD-logG0= -0.010654 tlogG= -0.047710 logG= -0.058364 Density= 0.430472 ETOT(band)= -0.467858 trlgG= -0.588814 logG= -0.058364 TDE= -0.342814 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.047752 logG= -0.057357 logGD-logG0= -0.009928 tlogG= -0.046385 logG= -0.056312 Density= 0.429232 ETOT(band)= -0.465905 trlgG= -0.581991 logG= -0.056312 TDE= -0.341470 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426862 ETOT(band)= -0.468285 trlgG= -0.586326 logG= -0.057357 TDE= -0.341641 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010313 tlogG= -0.046913 logG= -0.057227 Density= 0.429588 ETOT(band)= -0.466816 trlgG= -0.584693 logG= -0.057227 TDE= -0.341764 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010674 tlogG= -0.048006 logG= -0.058679 logGD-logG0= -0.009994 tlogG= -0.047544 logG= -0.057538 Density= 0.428307 ETOT(band)= -0.467837 trlgG= -0.586698 logG= -0.057538 TDE= -0.342092 Density= 0.431060 ETOT(band)= -0.468079 trlgG= -0.590162 logG= -0.058679 TDE= -0.343185 logGD-logG0= -0.010713 tlogG= -0.047250 logG= -0.057962 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430198 ETOT(band)= -0.467436 trlgG= -0.587343 logG= -0.057962 TDE= -0.342429 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022319 logG= -0.027150 Density= 0.322653 ETOT(band)= -0.348236 trlgG= -0.434361 logG= -0.027150 TDE= -0.170317 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004913 tlogG= -0.022466 logG= -0.027379 Density= 0.214873 ETOT(band)= -0.231835 trlgG= -0.288278 logG= -0.027379 TDE= -0.170250 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009651 tlogG= -0.047632 logG= -0.057284 Density= 0.426354 ETOT(band)= -0.468740 trlgG= -0.587481 logG= -0.057284 TDE= -0.341940 logGD-logG0= -0.009961 tlogG= -0.044604 logG= -0.054564 Density= 0.324078 ETOT(band)= -0.346917 trlgG= -0.432290 logG= -0.054564 TDE= -0.340916 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.021870 logG= -0.026946 Density= 0.216491 ETOT(band)= -0.230444 trlgG= -0.286702 logG= -0.026946 TDE= -0.170295 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001224 tlogG= -0.005465 logG= -0.006689 logGD-logG0= -0.010238 tlogG= -0.047553 logG= -0.057790 Density= 0.081149 ETOT(band)= -0.086414 trlgG= -0.107452 logG= -0.006689 TDE= -0.042589 Density= 0.429722 ETOT(band)= -0.467462 trlgG= -0.586624 logG= -0.057790 TDE= -0.342210 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.021341 logG= -0.026327 Density= 0.216887 ETOT(band)= -0.229333 trlgG= -0.284493 logG= -0.026327 TDE= -0.169962 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004790 tlogG= -0.022319 logG= -0.027109 Density= 0.214880 ETOT(band)= -0.232125 trlgG= -0.289324 logG= -0.027109 TDE= -0.170323 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004944 tlogG= -0.021196 logG= -0.026140 Density= 0.216206 ETOT(band)= -0.230199 trlgG= -0.285757 logG= -0.026140 TDE= -0.169868 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009808 tlogG= -0.044609 logG= -0.054417 Density= 0.431321 ETOT(band)= -0.462413 trlgG= -0.575189 logG= -0.054417 TDE= -0.340555 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004944 tlogG= -0.022284 logG= -0.027229 Density= 0.214105 ETOT(band)= -0.232619 trlgG= -0.289684 logG= -0.027229 TDE= -0.170237 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.058916023448 eV TrLogG= -407.499343180705 eV Ratio to renormalize= 1.000707464315 rho-rho_expected=-0.015553211581 nargs= 1 argi=dmft2.def 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964807317596197 0.940697853338548 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011444 logG= -0.013777 Density= 0.053699 ETOT(band)= -0.058112 trlgG= -0.072556 logG= -0.013777 TDE= -0.085352 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002327 tlogG= -0.011880 logG= -0.014207 Density= 0.053523 ETOT(band)= -0.058444 trlgG= -0.073322 logG= -0.014207 TDE= -0.085601 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.022159 logG= -0.027114 logGD-logG0= -0.004551 tlogG= -0.024038 logG= -0.028589 Density= 0.106305 ETOT(band)= -0.117245 trlgG= -0.146916 logG= -0.028589 TDE= -0.170932 Density= 0.108291 ETOT(band)= -0.115505 trlgG= -0.144058 logG= -0.027114 TDE= -0.170532 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.023633 logG= -0.028638 Density= 0.106901 ETOT(band)= -0.117017 trlgG= -0.146413 logG= -0.028638 TDE= -0.170675 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004712 tlogG= -0.023679 logG= -0.028391 Density= 0.106898 ETOT(band)= -0.116929 trlgG= -0.146602 logG= -0.028391 TDE= -0.171109 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.024062 logG= -0.028947 Density= 0.106980 ETOT(band)= -0.117181 trlgG= -0.147278 logG= -0.028947 TDE= -0.171270 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.022844 logG= -0.027587 Density= 0.107220 ETOT(band)= -0.116321 trlgG= -0.145166 logG= -0.027587 TDE= -0.170637 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007809 logG= -0.009296 Density= 0.035464 ETOT(band)= -0.038955 trlgG= -0.048647 logG= -0.009296 TDE= -0.056900 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023198 logG= -0.027824 Density= 0.106655 ETOT(band)= -0.116710 trlgG= -0.145585 logG= -0.027824 TDE= -0.170539 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004711 tlogG= -0.022982 logG= -0.027694 Density= 0.106792 ETOT(band)= -0.116578 trlgG= -0.145321 logG= -0.027694 TDE= -0.170473 logGD-logG0= -0.005014 tlogG= -0.022399 logG= -0.027414 Density= 0.107560 ETOT(band)= -0.116044 trlgG= -0.144552 logG= -0.027414 TDE= -0.170365 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004353 tlogG= -0.023968 logG= -0.028321 Density= 0.106084 ETOT(band)= -0.117215 trlgG= -0.146796 logG= -0.028321 TDE= -0.170971 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002604 tlogG= -0.012028 logG= -0.014632 Density= 0.053727 ETOT(band)= -0.058575 trlgG= -0.073741 logG= -0.014632 TDE= -0.085695 logGD-logG0= -0.002422 tlogG= -0.012078 logG= -0.014501 Density= 0.053547 ETOT(band)= -0.058588 trlgG= -0.073684 logG= -0.014501 TDE= -0.085681 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001624 tlogG= -0.006988 logG= -0.008612 Density= 0.036174 ETOT(band)= -0.038151 trlgG= -0.047282 logG= -0.008612 TDE= -0.056571 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001407 tlogG= -0.008042 logG= -0.009449 Density= 0.035284 ETOT(band)= -0.039108 trlgG= -0.049013 logG= -0.009449 TDE= -0.057024 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002559 tlogG= -0.011980 logG= -0.014539 logGD-logG0= -0.002628 tlogG= -0.011984 logG= -0.014612 Density= 0.053949 ETOT(band)= -0.058456 trlgG= -0.073723 logG= -0.014612 TDE= -0.085807 Density= 0.054105 ETOT(band)= -0.058333 trlgG= -0.073600 logG= -0.014539 TDE= -0.085835 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.022447 logG= -0.027485 Density= 0.108134 ETOT(band)= -0.115812 trlgG= -0.144668 logG= -0.027485 TDE= -0.170693 logGD-logG0= -0.005146 tlogG= -0.023422 logG= -0.028568 Density= 0.108063 ETOT(band)= -0.116456 trlgG= -0.146391 logG= -0.028568 TDE= -0.171298 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024062 logG= -0.029346 logGD-logG0= -0.005151 tlogG= -0.023756 logG= -0.028907 Density= 0.107572 ETOT(band)= -0.117149 trlgG= -0.147627 logG= -0.029346 TDE= -0.171513 logGD-logG0= -0.004327 tlogG= -0.024045 logG= -0.028371 Density= 0.106032 ETOT(band)= -0.117260 trlgG= -0.146910 logG= -0.028371 TDE= -0.171009 logGD-logG0= -0.005105 tlogG= -0.022974 logG= -0.028079 Density= 0.108066 ETOT(band)= -0.116186 trlgG= -0.145616 logG= -0.028079 TDE= -0.171014 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108111 ETOT(band)= -0.116617 trlgG= -0.146927 logG= -0.028907 TDE= -0.171519 logGD-logG0= -0.005125 tlogG= -0.023864 logG= -0.028988 logGD-logG0= -0.004834 tlogG= -0.023680 logG= -0.028514 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.023959 logG= -0.029192 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107371 ETOT(band)= -0.117137 trlgG= -0.147355 logG= -0.029192 TDE= -0.171295 Density= 0.107304 ETOT(band)= -0.116806 trlgG= -0.146506 logG= -0.028514 TDE= -0.171092 Density= 0.108183 ETOT(band)= -0.116627 trlgG= -0.147055 logG= -0.028988 TDE= -0.171602 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023942 logG= -0.029080 Density= 0.108163 ETOT(band)= -0.116691 trlgG= -0.147205 logG= -0.029080 TDE= -0.171649 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004903 tlogG= -0.021554 logG= -0.026456 logGD-logG0= -0.004866 tlogG= -0.022841 logG= -0.027707 Density= 0.108447 ETOT(band)= -0.114953 trlgG= -0.142927 logG= -0.026456 TDE= -0.170135 logGD-logG0= -0.004998 tlogG= -0.024084 logG= -0.029082 Density= 0.107306 ETOT(band)= -0.117117 trlgG= -0.147248 logG= -0.029082 TDE= -0.171266 Density= 0.107675 ETOT(band)= -0.116172 trlgG= -0.145035 logG= -0.027707 TDE= -0.170612 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005098 tlogG= -0.023207 logG= -0.028305 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023676 logG= -0.028967 Density= 0.107157 ETOT(band)= -0.117086 trlgG= -0.146961 logG= -0.028967 TDE= -0.171021 Density= 0.108126 ETOT(band)= -0.116278 trlgG= -0.145971 logG= -0.028305 TDE= -0.171173 logGD-logG0= -0.005033 tlogG= -0.022724 logG= -0.027757 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108180 ETOT(band)= -0.115949 trlgG= -0.145104 logG= -0.027757 TDE= -0.170879 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023660 logG= -0.028345 logGD-logG0= -0.005114 tlogG= -0.022866 logG= -0.027980 Density= 0.107543 ETOT(band)= -0.116378 trlgG= -0.145449 logG= -0.027980 TDE= -0.170687 Density= 0.106516 ETOT(band)= -0.117049 trlgG= -0.146500 logG= -0.028345 TDE= -0.170864 logGD-logG0= -0.005275 tlogG= -0.023863 logG= -0.029138 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107847 ETOT(band)= -0.116881 trlgG= -0.147302 logG= -0.029138 TDE= -0.171531 logGD-logG0= -0.005128 tlogG= -0.023597 logG= -0.028725 Density= 0.108137 ETOT(band)= -0.116501 trlgG= -0.146635 logG= -0.028725 TDE= -0.171422 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.024127 logG= -0.029449 logGD-logG0= -0.005290 tlogG= -0.024080 logG= -0.029370 Density= 0.107819 ETOT(band)= -0.117055 trlgG= -0.147688 logG= -0.029370 TDE= -0.171673 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107741 ETOT(band)= -0.117144 trlgG= -0.147815 logG= -0.029449 TDE= -0.171681 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.023572 logG= -0.028886 logGD-logG0= -0.005316 tlogG= -0.023892 logG= -0.029209 logGD-logG0= -0.005307 tlogG= -0.023186 logG= -0.028492 Density= 0.107730 ETOT(band)= -0.116785 trlgG= -0.146887 logG= -0.028886 TDE= -0.171312 Density= 0.107611 ETOT(band)= -0.116625 trlgG= -0.146259 logG= -0.028492 TDE= -0.171018 Density= 0.107682 ETOT(band)= -0.117014 trlgG= -0.147410 logG= -0.029209 TDE= -0.171488 logGD-logG0= -0.004911 tlogG= -0.023883 logG= -0.028794 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106678 ETOT(band)= -0.117202 trlgG= -0.147026 logG= -0.028794 TDE= -0.171022 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.045575 logG= -0.055331 logGD-logG0= -0.009822 tlogG= -0.047137 logG= -0.056959 Density= 0.213621 ETOT(band)= -0.233961 trlgG= -0.292848 logG= -0.056959 TDE= -0.341599 Density= 0.214208 ETOT(band)= -0.232828 trlgG= -0.290413 logG= -0.055331 TDE= -0.341083 logGD-logG0= -0.004739 tlogG= -0.023492 logG= -0.028231 Density= 0.106693 ETOT(band)= -0.116901 trlgG= -0.146067 logG= -0.028231 TDE= -0.170634 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009551 tlogG= -0.047913 logG= -0.057464 Density= 0.213113 ETOT(band)= -0.234430 trlgG= -0.293778 logG= -0.057464 TDE= -0.341773 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.024052 logG= -0.029316 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009119 tlogG= -0.047616 logG= -0.056735 Density= 0.212761 ETOT(band)= -0.234224 trlgG= -0.293133 logG= -0.056735 TDE= -0.341682 logGD-logG0= -0.009792 tlogG= -0.048229 logG= -0.058021 Density= 0.107879 ETOT(band)= -0.116987 trlgG= -0.147599 logG= -0.029316 TDE= -0.171667 Density= 0.214252 ETOT(band)= -0.234318 trlgG= -0.294627 logG= -0.058021 TDE= -0.342629 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009860 tlogG= -0.045633 logG= -0.055493 Density= 0.215002 ETOT(band)= -0.232546 trlgG= -0.290219 logG= -0.055493 TDE= -0.341120 logGD-logG0= -0.002402 tlogG= -0.010421 logG= -0.012822 Density= 0.054345 ETOT(band)= -0.057109 trlgG= -0.070744 logG= -0.012822 TDE= -0.084814 logGD-logG0= -0.009658 tlogG= -0.047145 logG= -0.056803 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009475 tlogG= -0.045744 logG= -0.055219 Density= 0.213610 ETOT(band)= -0.233917 trlgG= -0.293057 logG= -0.056803 TDE= -0.341959 Density= 0.214869 ETOT(band)= -0.232472 trlgG= -0.290229 logG= -0.055219 TDE= -0.341337 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009939 tlogG= -0.047886 logG= -0.057825 Density= 0.213816 ETOT(band)= -0.234360 trlgG= -0.294320 logG= -0.057825 TDE= -0.342302 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010379 tlogG= -0.047771 logG= -0.058150 logGD-logG0= -0.005008 tlogG= -0.021686 logG= -0.026695 Density= 0.107859 ETOT(band)= -0.115421 trlgG= -0.143364 logG= -0.026695 TDE= -0.170043 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214510 ETOT(band)= -0.234233 trlgG= -0.294296 logG= -0.058150 TDE= -0.342296 logGD-logG0= -0.009430 tlogG= -0.047432 logG= -0.056863 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214159 ETOT(band)= -0.233743 trlgG= -0.293182 logG= -0.056863 TDE= -0.342296 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010514 tlogG= -0.047731 logG= -0.058245 logGD-logG0= -0.010469 tlogG= -0.048065 logG= -0.058534 Density= 0.214929 ETOT(band)= -0.234289 trlgG= -0.294972 logG= -0.058534 TDE= -0.342796 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214612 ETOT(band)= -0.234238 trlgG= -0.294464 logG= -0.058245 TDE= -0.342419 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010318 tlogG= -0.047962 logG= -0.058281 Density= 0.214931 ETOT(band)= -0.234144 trlgG= -0.294556 logG= -0.058281 TDE= -0.342633 logGD-logG0= -0.010181 tlogG= -0.047644 logG= -0.057825 logGD-logG0= -0.001690 tlogG= -0.007302 logG= -0.008992 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213796 ETOT(band)= -0.234347 trlgG= -0.294072 logG= -0.057825 TDE= -0.342044 logGD-logG0= -0.010062 tlogG= -0.048013 logG= -0.058075 Density= 0.035818 ETOT(band)= -0.038603 trlgG= -0.047946 logG= -0.008992 TDE= -0.056679 Density= 0.214384 ETOT(band)= -0.234263 trlgG= -0.294374 logG= -0.058075 TDE= -0.342387 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010551 tlogG= -0.047998 logG= -0.058549 Density= 0.214965 ETOT(band)= -0.234280 trlgG= -0.294999 logG= -0.058549 TDE= -0.342826 logGD-logG0= -0.010526 tlogG= -0.047928 logG= -0.058454 logGD-logG0= -0.010409 tlogG= -0.047290 logG= -0.057699 Density= 0.214111 ETOT(band)= -0.234136 trlgG= -0.293547 logG= -0.057699 TDE= -0.341800 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215761 ETOT(band)= -0.233845 trlgG= -0.294897 logG= -0.058454 TDE= -0.343213 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010574 tlogG= -0.047402 logG= -0.057976 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010601 tlogG= -0.047515 logG= -0.058116 Density= 0.215328 ETOT(band)= -0.233772 trlgG= -0.294098 logG= -0.057976 TDE= -0.342678 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010616 tlogG= -0.046860 logG= -0.057475 Density= 0.215563 ETOT(band)= -0.233730 trlgG= -0.294336 logG= -0.058116 TDE= -0.342892 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215289 ETOT(band)= -0.233496 trlgG= -0.293297 logG= -0.057475 TDE= -0.342357 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010664 tlogG= -0.048127 logG= -0.058792 Density= 0.215284 ETOT(band)= -0.234303 trlgG= -0.295434 logG= -0.058792 TDE= -0.343176 logGD-logG0= -0.002462 tlogG= -0.010837 logG= -0.013299 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009786 tlogG= -0.047209 logG= -0.056994 Density= 0.054028 ETOT(band)= -0.057629 trlgG= -0.071594 logG= -0.013299 TDE= -0.085030 Density= 0.214327 ETOT(band)= -0.233702 trlgG= -0.292953 logG= -0.056994 TDE= -0.342019 logGD-logG0= -0.010175 tlogG= -0.046394 logG= -0.056570 logGD-logG0= -0.010581 tlogG= -0.047877 logG= -0.058458 Density= 0.215071 ETOT(band)= -0.233107 trlgG= -0.291855 logG= -0.056570 TDE= -0.341713 Density= 0.215632 ETOT(band)= -0.233918 trlgG= -0.294901 logG= -0.058458 TDE= -0.343149 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010087 tlogG= -0.047135 logG= -0.057222 Density= 0.215007 ETOT(band)= -0.233509 trlgG= -0.292874 logG= -0.057222 TDE= -0.342048 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021865 logG= -0.026854 Density= 0.108255 ETOT(band)= -0.115321 trlgG= -0.143609 logG= -0.026854 TDE= -0.170325 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004821 tlogG= -0.020978 logG= -0.025799 Density= 0.108644 ETOT(band)= -0.114364 trlgG= -0.141767 logG= -0.025799 TDE= -0.169731 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005069 tlogG= -0.021809 logG= -0.026878 logGD-logG0= -0.010012 tlogG= -0.043372 logG= -0.053384 Density= 0.216137 ETOT(band)= -0.230628 trlgG= -0.286700 logG= -0.053384 TDE= -0.340271 Density= 0.107715 ETOT(band)= -0.115615 trlgG= -0.143675 logG= -0.026878 TDE= -0.170099 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001257 tlogG= -0.005745 logG= -0.007003 Density= 0.080581 ETOT(band)= -0.087461 trlgG= -0.109699 logG= -0.007003 TDE= -0.042763 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005617 logG= -0.006853 Density= 0.080783 ETOT(band)= -0.087030 trlgG= -0.108693 logG= -0.006853 TDE= -0.042687 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022430 logG= -0.027545 Density= 0.216232 ETOT(band)= -0.231443 trlgG= -0.288823 logG= -0.027545 TDE= -0.170635 logGD-logG0= -0.004578 tlogG= -0.023965 logG= -0.028543 Density= 0.212644 ETOT(band)= -0.234461 trlgG= -0.293737 logG= -0.028543 TDE= -0.170900 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.023873 logG= -0.028792 Density= 0.213632 ETOT(band)= -0.234189 trlgG= -0.293251 logG= -0.028792 TDE= -0.170863 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023999 logG= -0.028738 Density= 0.213969 ETOT(band)= -0.234263 trlgG= -0.294372 logG= -0.028738 TDE= -0.171300 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023363 logG= -0.028012 Density= 0.214030 ETOT(band)= -0.233550 trlgG= -0.292577 logG= -0.028012 TDE= -0.170977 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004791 tlogG= -0.022319 logG= -0.027109 Density= 0.214879 ETOT(band)= -0.232123 trlgG= -0.289322 logG= -0.027109 TDE= -0.170322 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001433 tlogG= -0.007963 logG= -0.009396 Density= 0.070810 ETOT(band)= -0.078013 trlgG= -0.097538 logG= -0.009396 TDE= -0.056985 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004433 tlogG= -0.023733 logG= -0.028166 Density= 0.212922 ETOT(band)= -0.233773 trlgG= -0.292013 logG= -0.028166 TDE= -0.170849 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022897 logG= -0.027863 Density= 0.214646 ETOT(band)= -0.232572 trlgG= -0.289924 logG= -0.027863 TDE= -0.170500 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005937 logG= -0.007213 Density= 0.080780 ETOT(band)= -0.087709 trlgG= -0.110450 logG= -0.007213 TDE= -0.042883 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080594 ETOT(band)= -0.087675 trlgG= -0.110254 logG= -0.007125 TDE= -0.042829 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005982 logG= -0.007256 Density= 0.081011 ETOT(band)= -0.087609 trlgG= -0.110501 logG= -0.007256 TDE= -0.042913 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007114 logG= -0.008805 Density= 0.072184 ETOT(band)= -0.076532 trlgG= -0.094913 logG= -0.008805 TDE= -0.056645 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005017 tlogG= -0.024149 logG= -0.029166 Density= 0.214596 ETOT(band)= -0.234338 trlgG= -0.294766 logG= -0.029166 TDE= -0.171305 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.023949 logG= -0.029125 Density= 0.216258 ETOT(band)= -0.233391 trlgG= -0.294338 logG= -0.029125 TDE= -0.171638 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004944 tlogG= -0.022284 logG= -0.027229 Density= 0.214104 ETOT(band)= -0.232618 trlgG= -0.289682 logG= -0.027229 TDE= -0.170236 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005362 tlogG= -0.023891 logG= -0.029253 Density= 0.215508 ETOT(band)= -0.233922 trlgG= -0.294783 logG= -0.029253 TDE= -0.171505 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023994 logG= -0.029214 Density= 0.215549 ETOT(band)= -0.234020 trlgG= -0.295056 logG= -0.029214 TDE= -0.171648 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023472 logG= -0.028723 Density= 0.215072 ETOT(band)= -0.233495 trlgG= -0.293139 logG= -0.028723 TDE= -0.171238 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023677 logG= -0.029088 Density= 0.215268 ETOT(band)= -0.233776 trlgG= -0.294087 logG= -0.029088 TDE= -0.171327 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023792 logG= -0.029046 Density= 0.215194 ETOT(band)= -0.233928 trlgG= -0.294401 logG= -0.029046 TDE= -0.171495 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023579 logG= -0.028067 logGD-logG0= -0.009446 tlogG= -0.046698 logG= -0.056144 logGD-logG0= -0.005183 tlogG= -0.023992 logG= -0.029176 Density= 0.216224 ETOT(band)= -0.233495 trlgG= -0.294571 logG= -0.029176 TDE= -0.171665 Density= 0.427577 ETOT(band)= -0.466488 trlgG= -0.582330 logG= -0.056144 TDE= -0.341359 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004771 tlogG= -0.023998 logG= -0.028769 logGD-logG0= -0.008959 tlogG= -0.048081 logG= -0.057040 Density= 0.425203 ETOT(band)= -0.468721 trlgG= -0.586963 logG= -0.057040 TDE= -0.341916 Density= 0.321342 ETOT(band)= -0.351371 trlgG= -0.441698 logG= -0.028769 TDE= -0.171295 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212451 ETOT(band)= -0.234185 trlgG= -0.292992 logG= -0.028067 TDE= -0.170764 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047632 logG= -0.057284 Density= 0.426353 ETOT(band)= -0.468737 trlgG= -0.587478 logG= -0.057284 TDE= -0.341938 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.047752 logG= -0.057357 logGD-logG0= -0.004301 tlogG= -0.024125 logG= -0.028426 Density= 0.212001 ETOT(band)= -0.234570 trlgG= -0.293945 logG= -0.028426 TDE= -0.171048 Density= 0.426860 ETOT(band)= -0.468282 trlgG= -0.586323 logG= -0.057357 TDE= -0.341639 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023754 logG= -0.028951 Density= 0.216146 ETOT(band)= -0.233193 trlgG= -0.293634 logG= -0.028951 TDE= -0.171497 logGD-logG0= -0.005074 tlogG= -0.023836 logG= -0.028910 logGD-logG0= -0.004903 tlogG= -0.021291 logG= -0.026194 Density= 0.162549 ETOT(band)= -0.173101 trlgG= -0.216077 logG= -0.026194 TDE= -0.169947 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215357 ETOT(band)= -0.233923 trlgG= -0.294507 logG= -0.028910 TDE= -0.171184 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009928 tlogG= -0.046384 logG= -0.056313 Density= 0.429231 ETOT(band)= -0.465902 trlgG= -0.581988 logG= -0.056313 TDE= -0.341468 logGD-logG0= -0.005077 tlogG= -0.023949 logG= -0.029026 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214191 ETOT(band)= -0.234269 trlgG= -0.294154 logG= -0.029026 TDE= -0.171133 logGD-logG0= -0.005077 tlogG= -0.021870 logG= -0.026946 Density= 0.216490 ETOT(band)= -0.230443 trlgG= -0.286701 logG= -0.026946 TDE= -0.170294 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023407 logG= -0.028611 logGD-logG0= -0.005043 tlogG= -0.024154 logG= -0.029197 logGD-logG0= -0.010396 tlogG= -0.047771 logG= -0.058168 Density= 0.324152 ETOT(band)= -0.350149 trlgG= -0.441357 logG= -0.058168 TDE= -0.343170 logGD-logG0= -0.005177 tlogG= -0.022959 logG= -0.028136 Density= 0.216088 ETOT(band)= -0.232242 trlgG= -0.290811 logG= -0.028136 TDE= -0.170970 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322226 ETOT(band)= -0.351475 trlgG= -0.442373 logG= -0.029197 TDE= -0.171300 Density= 0.216063 ETOT(band)= -0.232815 trlgG= -0.292428 logG= -0.028611 TDE= -0.171258 logGD-logG0= -0.001580 tlogG= -0.006870 logG= -0.008450 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040824 ETOT(band)= -0.042701 trlgG= -0.052836 logG= -0.008450 TDE= -0.056484 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010172 tlogG= -0.045610 logG= -0.055782 logGD-logG0= -0.001185 tlogG= -0.005168 logG= -0.006354 Density= 0.062496 ETOT(band)= -0.067596 trlgG= -0.084277 logG= -0.006354 TDE= -0.042376 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005314 tlogG= -0.024116 logG= -0.029429 logGD-logG0= -0.004681 tlogG= -0.023360 logG= -0.028041 Density= 0.215582 ETOT(band)= -0.234176 trlgG= -0.295472 logG= -0.029429 TDE= -0.171681 Density= 0.323835 ETOT(band)= -0.348187 trlgG= -0.435304 logG= -0.055782 TDE= -0.341594 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321409 ETOT(band)= -0.350322 trlgG= -0.439120 logG= -0.028041 TDE= -0.170969 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010444 tlogG= -0.047220 logG= -0.057664 logGD-logG0= -0.005347 tlogG= -0.023951 logG= -0.029298 Density= 0.323457 ETOT(band)= -0.350900 trlgG= -0.442454 logG= -0.029298 TDE= -0.171553 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323930 ETOT(band)= -0.349784 trlgG= -0.440010 logG= -0.057664 TDE= -0.342777 logGD-logG0= -0.005028 tlogG= -0.023235 logG= -0.028263 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321479 ETOT(band)= -0.350827 trlgG= -0.439972 logG= -0.028263 TDE= -0.170924 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004781 tlogG= -0.023237 logG= -0.028018 Density= 0.213339 ETOT(band)= -0.233798 trlgG= -0.292471 logG= -0.028018 TDE= -0.170814 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010442 tlogG= -0.046398 logG= -0.056841 Density= 0.323790 ETOT(band)= -0.349130 trlgG= -0.437925 logG= -0.056841 TDE= -0.342219 logGD-logG0= -0.009679 tlogG= -0.046588 logG= -0.056267 logGD-logG0= -0.010686 tlogG= -0.048024 logG= -0.058710 Density= 0.323039 ETOT(band)= -0.351232 trlgG= -0.442716 logG= -0.058710 TDE= -0.343165 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322486 ETOT(band)= -0.349266 trlgG= -0.436749 logG= -0.056267 TDE= -0.341746 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023882 logG= -0.028486 Density= 0.213120 ETOT(band)= -0.234046 trlgG= -0.292739 logG= -0.028486 TDE= -0.170851 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023185 logG= -0.028354 Density= 0.214720 ETOT(band)= -0.233125 trlgG= -0.291456 logG= -0.028354 TDE= -0.170689 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004834 tlogG= -0.023829 logG= -0.028663 logGD-logG0= -0.005436 tlogG= -0.023344 logG= -0.028780 Density= 0.214963 ETOT(band)= -0.233521 trlgG= -0.292949 logG= -0.028780 TDE= -0.171033 Density= 0.213416 ETOT(band)= -0.234330 trlgG= -0.293988 logG= -0.028663 TDE= -0.171119 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.047941 logG= -0.058251 Density= 0.428910 ETOT(band)= -0.468574 trlgG= -0.588745 logG= -0.058251 TDE= -0.342294 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.024075 logG= -0.029323 Density= 0.322852 ETOT(band)= -0.351443 trlgG= -0.443022 logG= -0.029323 TDE= -0.171495 logGD-logG0= -0.009638 tlogG= -0.047825 logG= -0.057462 Density= 0.427731 ETOT(band)= -0.468512 trlgG= -0.588331 logG= -0.057462 TDE= -0.342405 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010254 tlogG= -0.047652 logG= -0.057906 Density= 0.427988 ETOT(band)= -0.468492 trlgG= -0.587661 logG= -0.057906 TDE= -0.342046 logGD-logG0= -0.010141 tlogG= -0.048133 logG= -0.058274 Density= 0.429008 ETOT(band)= -0.468611 trlgG= -0.589094 logG= -0.058274 TDE= -0.342450 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007586 logG= -0.009157 logGD-logG0= -0.010654 tlogG= -0.047710 logG= -0.058364 Density= 0.430470 ETOT(band)= -0.467856 trlgG= -0.588811 logG= -0.058364 TDE= -0.342811 Density= 0.071445 ETOT(band)= -0.077406 trlgG= -0.096234 logG= -0.009157 TDE= -0.056761 logGD-logG0= -0.009961 tlogG= -0.044604 logG= -0.054565 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009498 tlogG= -0.046592 logG= -0.056090 Density= 0.324077 ETOT(band)= -0.346915 trlgG= -0.432288 logG= -0.054565 TDE= -0.340914 Density= 0.427787 ETOT(band)= -0.467208 trlgG= -0.584935 logG= -0.056090 TDE= -0.341773 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004945 tlogG= -0.021195 logG= -0.026140 logGD-logG0= -0.010486 tlogG= -0.048053 logG= -0.058539 Density= 0.429858 ETOT(band)= -0.468439 trlgG= -0.589533 logG= -0.058539 TDE= -0.342796 Density= 0.216206 ETOT(band)= -0.230198 trlgG= -0.285756 logG= -0.026140 TDE= -0.169867 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010275 tlogG= -0.048205 logG= -0.058479 Density= 0.429751 ETOT(band)= -0.468610 trlgG= -0.589862 logG= -0.058479 TDE= -0.342670 logGD-logG0= -0.009814 tlogG= -0.047837 logG= -0.057651 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428840 ETOT(band)= -0.468278 trlgG= -0.588291 logG= -0.057651 TDE= -0.342390 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010750 tlogG= -0.047680 logG= -0.058430 Density= 0.430815 ETOT(band)= -0.467795 trlgG= -0.589167 logG= -0.058430 TDE= -0.342918 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009995 tlogG= -0.047544 logG= -0.057539 Density= 0.428305 ETOT(band)= -0.467834 trlgG= -0.586695 logG= -0.057539 TDE= -0.342090 logGD-logG0= -0.010674 tlogG= -0.048005 logG= -0.058679 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431058 ETOT(band)= -0.468077 trlgG= -0.590160 logG= -0.058679 TDE= -0.343183 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010314 tlogG= -0.046913 logG= -0.057227 Density= 0.429587 ETOT(band)= -0.466813 trlgG= -0.584690 logG= -0.057227 TDE= -0.341762 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005304 logG= -0.006508 logGD-logG0= -0.010713 tlogG= -0.047250 logG= -0.057963 Density= 0.430197 ETOT(band)= -0.467433 trlgG= -0.587340 logG= -0.057963 TDE= -0.342427 Density= 0.081509 ETOT(band)= -0.085743 trlgG= -0.106288 logG= -0.006508 TDE= -0.042478 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010238 tlogG= -0.047553 logG= -0.057791 Density= 0.429720 ETOT(band)= -0.467459 trlgG= -0.586621 logG= -0.057791 TDE= -0.342208 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022319 logG= -0.027150 Density= 0.322652 ETOT(band)= -0.348234 trlgG= -0.434358 logG= -0.027150 TDE= -0.170316 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001224 tlogG= -0.005465 logG= -0.006689 Density= 0.081148 ETOT(band)= -0.086414 trlgG= -0.107451 logG= -0.006689 TDE= -0.042589 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004913 tlogG= -0.022466 logG= -0.027379 Density= 0.214872 ETOT(band)= -0.231834 trlgG= -0.288277 logG= -0.027379 TDE= -0.170249 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.044608 logG= -0.054417 Density= 0.431320 ETOT(band)= -0.462410 trlgG= -0.575186 logG= -0.054417 TDE= -0.340553 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004986 tlogG= -0.021341 logG= -0.026327 Density= 0.216886 ETOT(band)= -0.229332 trlgG= -0.284492 logG= -0.026327 TDE= -0.169961 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.057002753386 eV TrLogG= -407.496663772162 eV Ratio to renormalize= 1.000711077763 rho-rho_expected=-0.015632594801 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964785468471677 0.940673739385828 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002327 tlogG= -0.011880 logG= -0.014207 Density= 0.053523 ETOT(band)= -0.058444 trlgG= -0.073322 logG= -0.014207 TDE= -0.085602 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 logGD-logG0= -0.004327 tlogG= -0.024045 logG= -0.028372 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002604 tlogG= -0.012028 logG= -0.014632 Density= 0.106032 ETOT(band)= -0.117260 trlgG= -0.146911 logG= -0.028372 TDE= -0.171009 Density= 0.053727 ETOT(band)= -0.058575 trlgG= -0.073741 logG= -0.014632 TDE= -0.085696 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023198 logG= -0.027824 Density= 0.106655 ETOT(band)= -0.116711 trlgG= -0.145585 logG= -0.027824 TDE= -0.170540 logGD-logG0= -0.002333 tlogG= -0.011444 logG= -0.013777 Density= 0.053699 ETOT(band)= -0.058112 trlgG= -0.072556 logG= -0.013777 TDE= -0.085352 logGD-logG0= -0.004551 tlogG= -0.024038 logG= -0.028589 Density= 0.106306 ETOT(band)= -0.117246 trlgG= -0.146916 logG= -0.028589 TDE= -0.170933 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023676 logG= -0.028967 Density= 0.107157 ETOT(band)= -0.117087 trlgG= -0.146962 logG= -0.028967 TDE= -0.171022 logGD-logG0= -0.001487 tlogG= -0.007809 logG= -0.009296 Density= 0.035464 ETOT(band)= -0.038956 trlgG= -0.048647 logG= -0.009296 TDE= -0.056901 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023207 logG= -0.028305 Density= 0.108126 ETOT(band)= -0.116279 trlgG= -0.145972 logG= -0.028305 TDE= -0.171174 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.024062 logG= -0.028947 Density= 0.106980 ETOT(band)= -0.117181 trlgG= -0.147278 logG= -0.028947 TDE= -0.171270 logGD-logG0= -0.004712 tlogG= -0.023679 logG= -0.028392 Density= 0.106898 ETOT(band)= -0.116929 trlgG= -0.146602 logG= -0.028392 TDE= -0.171109 logGD-logG0= -0.002422 tlogG= -0.012078 logG= -0.014501 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053547 ETOT(band)= -0.058588 trlgG= -0.073684 logG= -0.014501 TDE= -0.085681 logGD-logG0= -0.004739 tlogG= -0.023492 logG= -0.028231 Density= 0.106693 ETOT(band)= -0.116901 trlgG= -0.146068 logG= -0.028231 TDE= -0.170634 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002559 tlogG= -0.011980 logG= -0.014539 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001407 tlogG= -0.008042 logG= -0.009449 Density= 0.035284 ETOT(band)= -0.039109 trlgG= -0.049013 logG= -0.009449 TDE= -0.057024 Density= 0.054105 ETOT(band)= -0.058333 trlgG= -0.073600 logG= -0.014539 TDE= -0.085835 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023661 logG= -0.028346 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106516 ETOT(band)= -0.117050 trlgG= -0.146501 logG= -0.028346 TDE= -0.170865 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004743 tlogG= -0.022844 logG= -0.027587 Density= 0.107220 ETOT(band)= -0.116321 trlgG= -0.145166 logG= -0.027587 TDE= -0.170637 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.010421 logG= -0.012822 logGD-logG0= -0.005151 tlogG= -0.023756 logG= -0.028907 Density= 0.054345 ETOT(band)= -0.057109 trlgG= -0.070744 logG= -0.012822 TDE= -0.084814 Density= 0.108111 ETOT(band)= -0.116617 trlgG= -0.146927 logG= -0.028907 TDE= -0.171519 logGD-logG0= -0.005037 tlogG= -0.022448 logG= -0.027485 Density= 0.108134 ETOT(band)= -0.115813 trlgG= -0.144668 logG= -0.027485 TDE= -0.170693 logGD-logG0= -0.005105 tlogG= -0.022974 logG= -0.028079 logGD-logG0= -0.005137 tlogG= -0.023943 logG= -0.029080 Density= 0.108066 ETOT(band)= -0.116186 trlgG= -0.145617 logG= -0.028079 TDE= -0.171015 Density= 0.108163 ETOT(band)= -0.116692 trlgG= -0.147205 logG= -0.029080 TDE= -0.171650 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023422 logG= -0.028569 Density= 0.108063 ETOT(band)= -0.116456 trlgG= -0.146392 logG= -0.028569 TDE= -0.171298 logGD-logG0= -0.002628 tlogG= -0.011984 logG= -0.014612 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004354 tlogG= -0.023968 logG= -0.028321 Density= 0.106084 ETOT(band)= -0.117216 trlgG= -0.146797 logG= -0.028321 TDE= -0.170971 Density= 0.053949 ETOT(band)= -0.058456 trlgG= -0.073723 logG= -0.014612 TDE= -0.085807 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024062 logG= -0.029346 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107572 ETOT(band)= -0.117150 trlgG= -0.147628 logG= -0.029346 TDE= -0.171514 logGD-logG0= -0.004954 tlogG= -0.022160 logG= -0.027114 Density= 0.108291 ETOT(band)= -0.115506 trlgG= -0.144058 logG= -0.027114 TDE= -0.170532 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.024085 logG= -0.029082 Density= 0.107306 ETOT(band)= -0.117117 trlgG= -0.147249 logG= -0.029082 TDE= -0.171267 logGD-logG0= -0.005125 tlogG= -0.023864 logG= -0.028988 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108183 ETOT(band)= -0.116627 trlgG= -0.147056 logG= -0.028988 TDE= -0.171602 logGD-logG0= -0.005033 tlogG= -0.022724 logG= -0.027757 Density= 0.108180 ETOT(band)= -0.115949 trlgG= -0.145104 logG= -0.027757 TDE= -0.170880 logGD-logG0= -0.005289 tlogG= -0.024081 logG= -0.029370 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.023633 logG= -0.028638 logGD-logG0= -0.005316 tlogG= -0.023892 logG= -0.029209 logGD-logG0= -0.005234 tlogG= -0.023959 logG= -0.029192 Density= 0.107819 ETOT(band)= -0.117055 trlgG= -0.147689 logG= -0.029370 TDE= -0.171673 logGD-logG0= -0.001624 tlogG= -0.006988 logG= -0.008612 Density= 0.036174 ETOT(band)= -0.038151 trlgG= -0.047282 logG= -0.008612 TDE= -0.056571 Density= 0.106901 ETOT(band)= -0.117018 trlgG= -0.146413 logG= -0.028638 TDE= -0.170675 Density= 0.107371 ETOT(band)= -0.117137 trlgG= -0.147356 logG= -0.029192 TDE= -0.171296 Density= 0.107682 ETOT(band)= -0.117015 trlgG= -0.147411 logG= -0.029209 TDE= -0.171488 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.022400 logG= -0.027414 Density= 0.107560 ETOT(band)= -0.116045 trlgG= -0.144553 logG= -0.027414 TDE= -0.170365 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004834 tlogG= -0.023680 logG= -0.028514 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023597 logG= -0.028725 Density= 0.108137 ETOT(band)= -0.116502 trlgG= -0.146635 logG= -0.028725 TDE= -0.171422 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004711 tlogG= -0.022982 logG= -0.027694 Density= 0.106792 ETOT(band)= -0.116578 trlgG= -0.145322 logG= -0.027694 TDE= -0.170474 Density= 0.107304 ETOT(band)= -0.116806 trlgG= -0.146507 logG= -0.028514 TDE= -0.171093 logGD-logG0= -0.005114 tlogG= -0.022866 logG= -0.027980 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023883 logG= -0.028794 Density= 0.106678 ETOT(band)= -0.117203 trlgG= -0.147027 logG= -0.028794 TDE= -0.171022 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107543 ETOT(band)= -0.116378 trlgG= -0.145450 logG= -0.027980 TDE= -0.170687 logGD-logG0= -0.004866 tlogG= -0.022841 logG= -0.027707 Density= 0.107675 ETOT(band)= -0.116173 trlgG= -0.145036 logG= -0.027707 TDE= -0.170612 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.023186 logG= -0.028492 Density= 0.107611 ETOT(band)= -0.116625 trlgG= -0.146259 logG= -0.028492 TDE= -0.171018 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.024127 logG= -0.029450 Density= 0.107741 ETOT(band)= -0.117144 trlgG= -0.147815 logG= -0.029450 TDE= -0.171682 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023863 logG= -0.029139 Density= 0.107847 ETOT(band)= -0.116881 trlgG= -0.147302 logG= -0.029139 TDE= -0.171532 logGD-logG0= -0.005264 tlogG= -0.024052 logG= -0.029316 Density= 0.107879 ETOT(band)= -0.116987 trlgG= -0.147599 logG= -0.029316 TDE= -0.171667 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009475 tlogG= -0.045745 logG= -0.055220 Density= 0.214869 ETOT(band)= -0.232473 trlgG= -0.290230 logG= -0.055220 TDE= -0.341338 logGD-logG0= -0.009658 tlogG= -0.047145 logG= -0.056804 logGD-logG0= -0.009792 tlogG= -0.048229 logG= -0.058022 Density= 0.214252 ETOT(band)= -0.234319 trlgG= -0.294628 logG= -0.058022 TDE= -0.342630 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213610 ETOT(band)= -0.233918 trlgG= -0.293058 logG= -0.056804 TDE= -0.341959 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009119 tlogG= -0.047617 logG= -0.056736 Density= 0.212761 ETOT(band)= -0.234225 trlgG= -0.293134 logG= -0.056736 TDE= -0.341683 logGD-logG0= -0.010514 tlogG= -0.047731 logG= -0.058245 Density= 0.214612 ETOT(band)= -0.234239 trlgG= -0.294465 logG= -0.058245 TDE= -0.342420 logGD-logG0= -0.009822 tlogG= -0.047137 logG= -0.056960 Density= 0.213621 ETOT(band)= -0.233962 trlgG= -0.292850 logG= -0.056960 TDE= -0.341600 logGD-logG0= -0.009755 tlogG= -0.045576 logG= -0.055331 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214208 ETOT(band)= -0.232828 trlgG= -0.290414 logG= -0.055331 TDE= -0.341084 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009939 tlogG= -0.047886 logG= -0.057825 Density= 0.213816 ETOT(band)= -0.234361 trlgG= -0.294321 logG= -0.057825 TDE= -0.342303 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010469 tlogG= -0.048065 logG= -0.058534 Density= 0.214929 ETOT(band)= -0.234290 trlgG= -0.294973 logG= -0.058534 TDE= -0.342796 logGD-logG0= -0.010379 tlogG= -0.047771 logG= -0.058150 Density= 0.214510 ETOT(band)= -0.234234 trlgG= -0.294297 logG= -0.058150 TDE= -0.342297 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009430 tlogG= -0.047433 logG= -0.056863 logGD-logG0= -0.001690 tlogG= -0.007302 logG= -0.008992 logGD-logG0= -0.005313 tlogG= -0.023573 logG= -0.028886 Density= 0.214160 ETOT(band)= -0.233744 trlgG= -0.293183 logG= -0.056863 TDE= -0.342297 logGD-logG0= -0.010062 tlogG= -0.048014 logG= -0.058076 logGD-logG0= -0.009860 tlogG= -0.045633 logG= -0.055493 Density= 0.215002 ETOT(band)= -0.232547 trlgG= -0.290220 logG= -0.055493 TDE= -0.341121 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009551 tlogG= -0.047914 logG= -0.057465 Density= 0.214384 ETOT(band)= -0.234264 trlgG= -0.294375 logG= -0.058076 TDE= -0.342388 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213113 ETOT(band)= -0.234431 trlgG= -0.293779 logG= -0.057465 TDE= -0.341774 logGD-logG0= -0.010601 tlogG= -0.047515 logG= -0.058116 Density= 0.215563 ETOT(band)= -0.233730 trlgG= -0.294337 logG= -0.058116 TDE= -0.342893 logGD-logG0= -0.010318 tlogG= -0.047963 logG= -0.058281 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004821 tlogG= -0.020978 logG= -0.025799 Density= 0.108644 ETOT(band)= -0.114364 trlgG= -0.141768 logG= -0.025799 TDE= -0.169731 Density= 0.214931 ETOT(band)= -0.234145 trlgG= -0.294557 logG= -0.058281 TDE= -0.342634 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107730 ETOT(band)= -0.116786 trlgG= -0.146888 logG= -0.028886 TDE= -0.171313 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010181 tlogG= -0.047644 logG= -0.057825 Density= 0.213796 ETOT(band)= -0.234348 trlgG= -0.294073 logG= -0.057825 TDE= -0.342045 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010616 tlogG= -0.046860 logG= -0.057476 Density= 0.215289 ETOT(band)= -0.233496 trlgG= -0.293298 logG= -0.057476 TDE= -0.342358 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010551 tlogG= -0.047998 logG= -0.058549 logGD-logG0= -0.010526 tlogG= -0.047928 logG= -0.058454 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214966 ETOT(band)= -0.234281 trlgG= -0.295001 logG= -0.058549 TDE= -0.342827 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215761 ETOT(band)= -0.233845 trlgG= -0.294898 logG= -0.058454 TDE= -0.343214 logGD-logG0= -0.010409 tlogG= -0.047291 logG= -0.057700 Density= 0.214111 ETOT(band)= -0.234137 trlgG= -0.293548 logG= -0.057700 TDE= -0.341801 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035818 ETOT(band)= -0.038603 trlgG= -0.047946 logG= -0.008992 TDE= -0.056679 logGD-logG0= -0.002462 tlogG= -0.010837 logG= -0.013299 Density= 0.054028 ETOT(band)= -0.057629 trlgG= -0.071594 logG= -0.013299 TDE= -0.085031 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010574 tlogG= -0.047403 logG= -0.057976 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215329 ETOT(band)= -0.233773 trlgG= -0.294100 logG= -0.057976 TDE= -0.342679 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010175 tlogG= -0.046395 logG= -0.056570 logGD-logG0= -0.010581 tlogG= -0.047877 logG= -0.058458 logGD-logG0= -0.010664 tlogG= -0.048128 logG= -0.058792 Density= 0.215071 ETOT(band)= -0.233108 trlgG= -0.291856 logG= -0.056570 TDE= -0.341714 Density= 0.215284 ETOT(band)= -0.234304 trlgG= -0.295435 logG= -0.058792 TDE= -0.343177 Density= 0.215632 ETOT(band)= -0.233919 trlgG= -0.294902 logG= -0.058458 TDE= -0.343149 logGD-logG0= -0.009786 tlogG= -0.047209 logG= -0.056995 Density= 0.214327 ETOT(band)= -0.233703 trlgG= -0.292955 logG= -0.056995 TDE= -0.342019 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.021810 logG= -0.026878 Density= 0.107715 ETOT(band)= -0.115615 trlgG= -0.143675 logG= -0.026878 TDE= -0.170100 logGD-logG0= -0.010087 tlogG= -0.047135 logG= -0.057222 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215008 ETOT(band)= -0.233510 trlgG= -0.292875 logG= -0.057222 TDE= -0.342049 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.021687 logG= -0.026695 logGD-logG0= -0.004989 tlogG= -0.021865 logG= -0.026854 Density= 0.107859 ETOT(band)= -0.115422 trlgG= -0.143364 logG= -0.026695 TDE= -0.170043 Density= 0.108255 ETOT(band)= -0.115322 trlgG= -0.143609 logG= -0.026854 TDE= -0.170325 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004903 tlogG= -0.021554 logG= -0.026456 Density= 0.108447 ETOT(band)= -0.114954 trlgG= -0.142927 logG= -0.026456 TDE= -0.170136 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010012 tlogG= -0.043372 logG= -0.053384 Density= 0.216137 ETOT(band)= -0.230629 trlgG= -0.286701 logG= -0.053384 TDE= -0.340272 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080581 ETOT(band)= -0.087461 trlgG= -0.109699 logG= -0.007003 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001433 tlogG= -0.007963 logG= -0.009396 Density= 0.070810 ETOT(band)= -0.078014 trlgG= -0.097538 logG= -0.009396 TDE= -0.056986 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023882 logG= -0.028486 Density= 0.213120 ETOT(band)= -0.234047 trlgG= -0.292740 logG= -0.028486 TDE= -0.170852 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004433 tlogG= -0.023733 logG= -0.028166 Density= 0.212922 ETOT(band)= -0.233774 trlgG= -0.292014 logG= -0.028166 TDE= -0.170849 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004301 tlogG= -0.024125 logG= -0.028426 logGD-logG0= -0.004488 tlogG= -0.023580 logG= -0.028068 Density= 0.212451 ETOT(band)= -0.234185 trlgG= -0.292993 logG= -0.028068 TDE= -0.170765 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212001 ETOT(band)= -0.234571 trlgG= -0.293946 logG= -0.028426 TDE= -0.171048 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001185 tlogG= -0.005168 logG= -0.006354 Density= 0.062496 ETOT(band)= -0.067596 trlgG= -0.084277 logG= -0.006354 TDE= -0.042376 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001580 tlogG= -0.006870 logG= -0.008450 Density= 0.040824 ETOT(band)= -0.042701 trlgG= -0.052836 logG= -0.008450 TDE= -0.056485 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001276 tlogG= -0.005937 logG= -0.007213 Density= 0.080780 ETOT(band)= -0.087709 trlgG= -0.110451 logG= -0.007213 TDE= -0.042883 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022897 logG= -0.027863 Density= 0.214646 ETOT(band)= -0.232573 trlgG= -0.289925 logG= -0.027863 TDE= -0.170501 logGD-logG0= -0.001204 tlogG= -0.005304 logG= -0.006508 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081509 ETOT(band)= -0.085743 trlgG= -0.106288 logG= -0.006508 TDE= -0.042478 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.023950 logG= -0.029026 Density= 0.214191 ETOT(band)= -0.234270 trlgG= -0.294155 logG= -0.029026 TDE= -0.171133 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007586 logG= -0.009157 Density= 0.071445 ETOT(band)= -0.077406 trlgG= -0.096234 logG= -0.009157 TDE= -0.056761 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023407 logG= -0.028611 logGD-logG0= -0.001237 tlogG= -0.005617 logG= -0.006854 Density= 0.080783 ETOT(band)= -0.087030 trlgG= -0.108694 logG= -0.006854 TDE= -0.042687 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216063 ETOT(band)= -0.232816 trlgG= -0.292429 logG= -0.028611 TDE= -0.171258 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.024000 logG= -0.028738 Density= 0.213969 ETOT(band)= -0.234264 trlgG= -0.294373 logG= -0.028738 TDE= -0.171300 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080594 ETOT(band)= -0.087676 trlgG= -0.110254 logG= -0.007125 TDE= -0.042829 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004781 tlogG= -0.023237 logG= -0.028018 logGD-logG0= -0.001275 tlogG= -0.005982 logG= -0.007257 Density= 0.213339 ETOT(band)= -0.233799 trlgG= -0.292473 logG= -0.028018 TDE= -0.170815 Density= 0.081011 ETOT(band)= -0.087610 trlgG= -0.110501 logG= -0.007257 TDE= -0.042914 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023363 logG= -0.028013 Density= 0.214030 ETOT(band)= -0.233551 trlgG= -0.292578 logG= -0.028013 TDE= -0.170978 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023994 logG= -0.029214 Density= 0.215549 ETOT(band)= -0.234020 trlgG= -0.295058 logG= -0.029214 TDE= -0.171648 logGD-logG0= -0.001692 tlogG= -0.007114 logG= -0.008805 Density= 0.072184 ETOT(band)= -0.076532 trlgG= -0.094913 logG= -0.008805 TDE= -0.056646 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004579 tlogG= -0.023965 logG= -0.028543 Density= 0.212644 ETOT(band)= -0.234461 trlgG= -0.293738 logG= -0.028543 TDE= -0.170900 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022466 logG= -0.027379 Density= 0.214872 ETOT(band)= -0.231835 trlgG= -0.288278 logG= -0.027379 TDE= -0.170250 logGD-logG0= -0.005254 tlogG= -0.023792 logG= -0.029046 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215194 ETOT(band)= -0.233929 trlgG= -0.294402 logG= -0.029046 TDE= -0.171496 logGD-logG0= -0.005183 tlogG= -0.023992 logG= -0.029176 Density= 0.216224 ETOT(band)= -0.233496 trlgG= -0.294572 logG= -0.029176 TDE= -0.171665 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023472 logG= -0.028723 Density= 0.215072 ETOT(band)= -0.233495 trlgG= -0.293140 logG= -0.028723 TDE= -0.171238 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.023836 logG= -0.028910 Density= 0.215357 ETOT(band)= -0.233924 trlgG= -0.294508 logG= -0.028910 TDE= -0.171184 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004771 tlogG= -0.023999 logG= -0.028769 Density= 0.321342 ETOT(band)= -0.351372 trlgG= -0.441700 logG= -0.028769 TDE= -0.171295 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004944 tlogG= -0.022284 logG= -0.027229 Density= 0.214104 ETOT(band)= -0.232618 trlgG= -0.289684 logG= -0.027229 TDE= -0.170236 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005116 tlogG= -0.022430 logG= -0.027545 Density= 0.216232 ETOT(band)= -0.231444 trlgG= -0.288824 logG= -0.027545 TDE= -0.170635 logGD-logG0= -0.005177 tlogG= -0.022960 logG= -0.028136 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.047772 logG= -0.058168 logGD-logG0= -0.005043 tlogG= -0.024154 logG= -0.029197 Density= 0.322226 ETOT(band)= -0.351476 trlgG= -0.442375 logG= -0.029197 TDE= -0.171300 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024116 logG= -0.029430 Density= 0.324152 ETOT(band)= -0.350150 trlgG= -0.441359 logG= -0.058168 TDE= -0.343171 Density= 0.215582 ETOT(band)= -0.234176 trlgG= -0.295474 logG= -0.029430 TDE= -0.171682 logGD-logG0= -0.005176 tlogG= -0.023949 logG= -0.029126 Density= 0.216088 ETOT(band)= -0.232242 trlgG= -0.290812 logG= -0.028136 TDE= -0.170970 Density= 0.216258 ETOT(band)= -0.233391 trlgG= -0.294339 logG= -0.029126 TDE= -0.171638 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010172 tlogG= -0.045610 logG= -0.055782 Density= 0.323835 ETOT(band)= -0.348188 trlgG= -0.435305 logG= -0.055782 TDE= -0.341594 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004681 tlogG= -0.023360 logG= -0.028041 Density= 0.321409 ETOT(band)= -0.350323 trlgG= -0.439121 logG= -0.028041 TDE= -0.170969 logGD-logG0= -0.005017 tlogG= -0.024149 logG= -0.029166 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214596 ETOT(band)= -0.234339 trlgG= -0.294767 logG= -0.029166 TDE= -0.171305 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.023873 logG= -0.028792 Density= 0.213633 ETOT(band)= -0.234190 trlgG= -0.293252 logG= -0.028792 TDE= -0.170863 logGD-logG0= -0.010443 tlogG= -0.047221 logG= -0.057664 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323931 ETOT(band)= -0.349785 trlgG= -0.440012 logG= -0.057664 TDE= -0.342778 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010686 tlogG= -0.048025 logG= -0.058711 Density= 0.323039 ETOT(band)= -0.351234 trlgG= -0.442718 logG= -0.058711 TDE= -0.343166 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.023235 logG= -0.028263 Density= 0.321479 ETOT(band)= -0.350828 trlgG= -0.439974 logG= -0.028263 TDE= -0.170924 logGD-logG0= -0.005197 tlogG= -0.023755 logG= -0.028951 Density= 0.216146 ETOT(band)= -0.233194 trlgG= -0.293636 logG= -0.028951 TDE= -0.171497 logGD-logG0= -0.004834 tlogG= -0.023830 logG= -0.028663 logGD-logG0= -0.010442 tlogG= -0.046399 logG= -0.056841 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213416 ETOT(band)= -0.234331 trlgG= -0.293990 logG= -0.028663 TDE= -0.171119 Density= 0.323791 ETOT(band)= -0.349131 trlgG= -0.437927 logG= -0.056841 TDE= -0.342220 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023892 logG= -0.029254 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.021341 logG= -0.026327 Density= 0.216886 ETOT(band)= -0.229332 trlgG= -0.284493 logG= -0.026327 TDE= -0.169961 Density= 0.215509 ETOT(band)= -0.233922 trlgG= -0.294785 logG= -0.029254 TDE= -0.171505 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005347 tlogG= -0.023951 logG= -0.029298 Density= 0.323457 ETOT(band)= -0.350902 trlgG= -0.442456 logG= -0.029298 TDE= -0.171553 logGD-logG0= -0.009679 tlogG= -0.046589 logG= -0.056267 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322486 ETOT(band)= -0.349268 trlgG= -0.436751 logG= -0.056267 TDE= -0.341747 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023185 logG= -0.028355 logGD-logG0= -0.005436 tlogG= -0.023345 logG= -0.028780 Density= 0.214963 ETOT(band)= -0.233522 trlgG= -0.292951 logG= -0.028780 TDE= -0.171034 logGD-logG0= -0.005248 tlogG= -0.024075 logG= -0.029323 Density= 0.322852 ETOT(band)= -0.351444 trlgG= -0.443024 logG= -0.029323 TDE= -0.171495 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214720 ETOT(band)= -0.233125 trlgG= -0.291457 logG= -0.028355 TDE= -0.170689 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010141 tlogG= -0.048133 logG= -0.058274 Density= 0.429008 ETOT(band)= -0.468613 trlgG= -0.589097 logG= -0.058274 TDE= -0.342451 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004791 tlogG= -0.022319 logG= -0.027109 logGD-logG0= -0.008960 tlogG= -0.048081 logG= -0.057041 Density= 0.214879 ETOT(band)= -0.232124 trlgG= -0.289323 logG= -0.027109 TDE= -0.170323 Density= 0.425203 ETOT(band)= -0.468723 trlgG= -0.586965 logG= -0.057041 TDE= -0.341917 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009638 tlogG= -0.047825 logG= -0.057463 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427732 ETOT(band)= -0.468513 trlgG= -0.588333 logG= -0.057463 TDE= -0.342406 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.047941 logG= -0.058251 logGD-logG0= -0.004903 tlogG= -0.021291 logG= -0.026194 Density= 0.162549 ETOT(band)= -0.173102 trlgG= -0.216078 logG= -0.026194 TDE= -0.169948 Density= 0.428910 ETOT(band)= -0.468576 trlgG= -0.588747 logG= -0.058251 TDE= -0.342295 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009498 tlogG= -0.046592 logG= -0.056091 logGD-logG0= -0.010254 tlogG= -0.047652 logG= -0.057906 Density= 0.427988 ETOT(band)= -0.468493 trlgG= -0.587664 logG= -0.057906 TDE= -0.342047 logGD-logG0= -0.005077 tlogG= -0.021870 logG= -0.026946 Density= 0.216490 ETOT(band)= -0.230444 trlgG= -0.286702 logG= -0.026946 TDE= -0.170294 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427787 ETOT(band)= -0.467210 trlgG= -0.584938 logG= -0.056091 TDE= -0.341774 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009447 tlogG= -0.046698 logG= -0.056144 Density= 0.427577 ETOT(band)= -0.466489 trlgG= -0.582332 logG= -0.056144 TDE= -0.341360 logGD-logG0= -0.010750 tlogG= -0.047680 logG= -0.058430 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430815 ETOT(band)= -0.467797 trlgG= -0.589169 logG= -0.058430 TDE= -0.342919 logGD-logG0= -0.010654 tlogG= -0.047711 logG= -0.058365 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430471 ETOT(band)= -0.467857 trlgG= -0.588814 logG= -0.058365 TDE= -0.342812 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009814 tlogG= -0.047838 logG= -0.057651 Density= 0.428840 ETOT(band)= -0.468279 trlgG= -0.588293 logG= -0.057651 TDE= -0.342391 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004944 tlogG= -0.021196 logG= -0.026140 Density= 0.216206 ETOT(band)= -0.230199 trlgG= -0.285757 logG= -0.026140 TDE= -0.169868 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009605 tlogG= -0.047752 logG= -0.057358 Density= 0.426861 ETOT(band)= -0.468283 trlgG= -0.586325 logG= -0.057358 TDE= -0.341640 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.048205 logG= -0.058480 Density= 0.429751 ETOT(band)= -0.468611 trlgG= -0.589865 logG= -0.058480 TDE= -0.342671 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010486 tlogG= -0.048053 logG= -0.058539 Density= 0.429858 ETOT(band)= -0.468440 trlgG= -0.589536 logG= -0.058539 TDE= -0.342796 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009928 tlogG= -0.046385 logG= -0.056313 Density= 0.429231 ETOT(band)= -0.465904 trlgG= -0.581991 logG= -0.056313 TDE= -0.341469 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010674 tlogG= -0.048006 logG= -0.058680 Density= 0.431058 ETOT(band)= -0.468078 trlgG= -0.590162 logG= -0.058680 TDE= -0.343184 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009995 tlogG= -0.047544 logG= -0.057539 Density= 0.428305 ETOT(band)= -0.467835 trlgG= -0.586697 logG= -0.057539 TDE= -0.342090 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.047250 logG= -0.057963 Density= 0.430197 ETOT(band)= -0.467435 trlgG= -0.587342 logG= -0.057963 TDE= -0.342428 logGD-logG0= -0.009652 tlogG= -0.047633 logG= -0.057285 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426353 ETOT(band)= -0.468739 trlgG= -0.587480 logG= -0.057285 TDE= -0.341938 logGD-logG0= -0.010314 tlogG= -0.046914 logG= -0.057227 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429587 ETOT(band)= -0.466815 trlgG= -0.584693 logG= -0.057227 TDE= -0.341763 logGD-logG0= -0.004831 tlogG= -0.022319 logG= -0.027150 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322652 ETOT(band)= -0.348235 trlgG= -0.434360 logG= -0.027150 TDE= -0.170317 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005410 tlogG= -0.023678 logG= -0.029088 logGD-logG0= -0.010238 tlogG= -0.047553 logG= -0.057791 Density= 0.215268 ETOT(band)= -0.233777 trlgG= -0.294089 logG= -0.029088 TDE= -0.171328 Density= 0.429720 ETOT(band)= -0.467461 trlgG= -0.586624 logG= -0.057791 TDE= -0.342209 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005465 logG= -0.006689 Density= 0.081148 ETOT(band)= -0.086414 trlgG= -0.107452 logG= -0.006689 TDE= -0.042589 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009961 tlogG= -0.044604 logG= -0.054565 Density= 0.324077 ETOT(band)= -0.346917 trlgG= -0.432290 logG= -0.054565 TDE= -0.340915 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.044609 logG= -0.054418 Density= 0.431320 ETOT(band)= -0.462412 trlgG= -0.575188 logG= -0.054418 TDE= -0.340553 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.058080855389 eV TrLogG= -407.498442488441 eV Ratio to renormalize= 1.000710449591 rho-rho_expected=-0.015618794629 nargs= 1 argi=dmft2.def 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964813080837810 0.940712098351143 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 logGD-logG0= -0.002327 tlogG= -0.011880 logG= -0.014207 Density= 0.004540 ETOT(band)= -0.004736 trlgG= -0.005856 logG= -0.001048 TDE= -0.007055 Density= 0.053524 ETOT(band)= -0.058445 trlgG= -0.073324 logG= -0.014207 TDE= -0.085603 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002604 tlogG= -0.012028 logG= -0.014633 Density= 0.053727 ETOT(band)= -0.058576 trlgG= -0.073743 logG= -0.014633 TDE= -0.085697 logGD-logG0= -0.002422 tlogG= -0.012079 logG= -0.014501 Density= 0.053547 ETOT(band)= -0.058589 trlgG= -0.073686 logG= -0.014501 TDE= -0.085683 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011444 logG= -0.013777 Density= 0.053700 ETOT(band)= -0.058113 trlgG= -0.072558 logG= -0.013777 TDE= -0.085354 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007809 logG= -0.009296 Density= 0.035465 ETOT(band)= -0.038956 trlgG= -0.048648 logG= -0.009296 TDE= -0.056902 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001407 tlogG= -0.008043 logG= -0.009449 Density= 0.035284 ETOT(band)= -0.039110 trlgG= -0.049014 logG= -0.009449 TDE= -0.057026 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023423 logG= -0.028569 Density= 0.108064 ETOT(band)= -0.116458 trlgG= -0.146395 logG= -0.028569 TDE= -0.171302 logGD-logG0= -0.005037 tlogG= -0.022449 logG= -0.027485 Density= 0.108135 ETOT(band)= -0.115815 trlgG= -0.144672 logG= -0.027485 TDE= -0.170697 logGD-logG0= -0.002558 tlogG= -0.011981 logG= -0.014539 Density= 0.054105 ETOT(band)= -0.058335 trlgG= -0.073602 logG= -0.014539 TDE= -0.085837 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024063 logG= -0.029346 Density= 0.107573 ETOT(band)= -0.117152 trlgG= -0.147631 logG= -0.029346 TDE= -0.171517 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004353 tlogG= -0.023969 logG= -0.028322 Density= 0.106085 ETOT(band)= -0.117219 trlgG= -0.146801 logG= -0.028322 TDE= -0.170975 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023944 logG= -0.029080 Density= 0.108164 ETOT(band)= -0.116694 trlgG= -0.147209 logG= -0.029080 TDE= -0.171653 logGD-logG0= -0.002628 tlogG= -0.011985 logG= -0.014613 logGD-logG0= -0.004551 tlogG= -0.024039 logG= -0.028590 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106306 ETOT(band)= -0.117248 trlgG= -0.146920 logG= -0.028590 TDE= -0.170936 Density= 0.053949 ETOT(band)= -0.058457 trlgG= -0.073725 logG= -0.014613 TDE= -0.085809 logGD-logG0= -0.005289 tlogG= -0.024082 logG= -0.029371 logGD-logG0= -0.004954 tlogG= -0.022161 logG= -0.027114 Density= 0.108292 ETOT(band)= -0.115508 trlgG= -0.144062 logG= -0.027114 TDE= -0.170536 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107820 ETOT(band)= -0.117058 trlgG= -0.147692 logG= -0.029371 TDE= -0.171677 logGD-logG0= -0.004865 tlogG= -0.022842 logG= -0.027707 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107676 ETOT(band)= -0.116175 trlgG= -0.145039 logG= -0.027707 TDE= -0.170615 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023865 logG= -0.028989 Density= 0.108185 ETOT(band)= -0.116630 trlgG= -0.147059 logG= -0.028989 TDE= -0.171606 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004625 tlogG= -0.023199 logG= -0.027824 Density= 0.106656 ETOT(band)= -0.116713 trlgG= -0.145589 logG= -0.027824 TDE= -0.170543 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023598 logG= -0.028725 logGD-logG0= -0.005291 tlogG= -0.023677 logG= -0.028967 Density= 0.107158 ETOT(band)= -0.117089 trlgG= -0.146966 logG= -0.028967 TDE= -0.171025 Density= 0.108138 ETOT(band)= -0.116504 trlgG= -0.146639 logG= -0.028725 TDE= -0.171426 logGD-logG0= -0.004327 tlogG= -0.024046 logG= -0.028372 Density= 0.106033 ETOT(band)= -0.117263 trlgG= -0.146915 logG= -0.028372 TDE= -0.171013 logGD-logG0= -0.005322 tlogG= -0.024128 logG= -0.029450 logGD-logG0= -0.005097 tlogG= -0.023208 logG= -0.028305 Density= 0.108128 ETOT(band)= -0.116281 trlgG= -0.145975 logG= -0.028305 TDE= -0.171177 logGD-logG0= -0.005032 tlogG= -0.022726 logG= -0.027758 Density= 0.108181 ETOT(band)= -0.115951 trlgG= -0.145107 logG= -0.027758 TDE= -0.170883 Density= 0.107743 ETOT(band)= -0.117147 trlgG= -0.147819 logG= -0.029450 TDE= -0.171685 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023960 logG= -0.029193 Density= 0.107373 ETOT(band)= -0.117140 trlgG= -0.147359 logG= -0.029193 TDE= -0.171300 logGD-logG0= -0.005316 tlogG= -0.023893 logG= -0.029209 logGD-logG0= -0.005014 tlogG= -0.022401 logG= -0.027414 Density= 0.107561 ETOT(band)= -0.116047 trlgG= -0.144556 logG= -0.027414 TDE= -0.170369 Density= 0.107683 ETOT(band)= -0.117017 trlgG= -0.147414 logG= -0.029209 TDE= -0.171492 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.023681 logG= -0.028514 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.022867 logG= -0.027981 Density= 0.107544 ETOT(band)= -0.116381 trlgG= -0.145453 logG= -0.027981 TDE= -0.170691 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107305 ETOT(band)= -0.116809 trlgG= -0.146510 logG= -0.028514 TDE= -0.171096 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004711 tlogG= -0.022983 logG= -0.027694 Density= 0.106793 ETOT(band)= -0.116581 trlgG= -0.145326 logG= -0.027694 TDE= -0.170477 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004685 tlogG= -0.023661 logG= -0.028346 logGD-logG0= -0.004885 tlogG= -0.024063 logG= -0.028948 Density= 0.106981 ETOT(band)= -0.117184 trlgG= -0.147282 logG= -0.028948 TDE= -0.171274 Density= 0.106517 ETOT(band)= -0.117052 trlgG= -0.146505 logG= -0.028346 TDE= -0.170868 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004712 tlogG= -0.023680 logG= -0.028392 Density= 0.106899 ETOT(band)= -0.116932 trlgG= -0.146606 logG= -0.028392 TDE= -0.171113 logGD-logG0= -0.004998 tlogG= -0.024085 logG= -0.029083 logGD-logG0= -0.004911 tlogG= -0.023884 logG= -0.028795 Density= 0.106679 ETOT(band)= -0.117205 trlgG= -0.147031 logG= -0.028795 TDE= -0.171026 Density= 0.107307 ETOT(band)= -0.117120 trlgG= -0.147252 logG= -0.029083 TDE= -0.171270 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.023634 logG= -0.028638 Density= 0.106902 ETOT(band)= -0.117020 trlgG= -0.146417 logG= -0.028638 TDE= -0.170679 logGD-logG0= -0.004739 tlogG= -0.023493 logG= -0.028232 Density= 0.106694 ETOT(band)= -0.116904 trlgG= -0.146072 logG= -0.028232 TDE= -0.170637 logGD-logG0= -0.004742 tlogG= -0.022845 logG= -0.027588 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107221 ETOT(band)= -0.116324 trlgG= -0.145170 logG= -0.027588 TDE= -0.170641 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023865 logG= -0.029139 Density= 0.107848 ETOT(band)= -0.116883 trlgG= -0.147306 logG= -0.029139 TDE= -0.171536 logGD-logG0= -0.005306 tlogG= -0.023187 logG= -0.028493 Density= 0.107612 ETOT(band)= -0.116628 trlgG= -0.146263 logG= -0.028493 TDE= -0.171022 logGD-logG0= -0.005312 tlogG= -0.023574 logG= -0.028886 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107731 ETOT(band)= -0.116788 trlgG= -0.146892 logG= -0.028886 TDE= -0.171316 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009119 tlogG= -0.047618 logG= -0.056737 logGD-logG0= -0.009754 tlogG= -0.045578 logG= -0.055332 logGD-logG0= -0.009938 tlogG= -0.047888 logG= -0.057826 logGD-logG0= -0.009657 tlogG= -0.047148 logG= -0.056805 Density= 0.213612 ETOT(band)= -0.233923 trlgG= -0.293066 logG= -0.056805 TDE= -0.341967 Density= 0.212762 ETOT(band)= -0.234231 trlgG= -0.293141 logG= -0.056737 TDE= -0.341690 Density= 0.213818 ETOT(band)= -0.234366 trlgG= -0.294328 logG= -0.057826 TDE= -0.342310 Density= 0.214210 ETOT(band)= -0.232834 trlgG= -0.290421 logG= -0.055332 TDE= -0.341091 logGD-logG0= -0.009791 tlogG= -0.048231 logG= -0.058023 Density= 0.214254 ETOT(band)= -0.234324 trlgG= -0.294635 logG= -0.058023 TDE= -0.342637 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009822 tlogG= -0.047139 logG= -0.056961 Density= 0.213623 ETOT(band)= -0.233967 trlgG= -0.292857 logG= -0.056961 TDE= -0.341607 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010513 tlogG= -0.047733 logG= -0.058246 Density= 0.214614 ETOT(band)= -0.234244 trlgG= -0.294472 logG= -0.058246 TDE= -0.342427 logGD-logG0= -0.009429 tlogG= -0.047435 logG= -0.056864 Density= 0.214161 ETOT(band)= -0.233749 trlgG= -0.293191 logG= -0.056864 TDE= -0.342304 logGD-logG0= -0.010468 tlogG= -0.048067 logG= -0.058535 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009551 tlogG= -0.047915 logG= -0.057466 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213115 ETOT(band)= -0.234436 trlgG= -0.293787 logG= -0.057466 TDE= -0.341781 Density= 0.214931 ETOT(band)= -0.234295 trlgG= -0.294980 logG= -0.058535 TDE= -0.342804 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010378 tlogG= -0.047773 logG= -0.058151 logGD-logG0= -0.010318 tlogG= -0.047964 logG= -0.058282 logGD-logG0= -0.010550 tlogG= -0.048000 logG= -0.058550 Density= 0.214968 ETOT(band)= -0.234286 trlgG= -0.295008 logG= -0.058550 TDE= -0.342834 Density= 0.214512 ETOT(band)= -0.234239 trlgG= -0.294304 logG= -0.058151 TDE= -0.342304 Density= 0.214933 ETOT(band)= -0.234150 trlgG= -0.294564 logG= -0.058282 TDE= -0.342642 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.007302 logG= -0.008992 Density= 0.035819 ETOT(band)= -0.038604 trlgG= -0.047948 logG= -0.008992 TDE= -0.056680 logGD-logG0= -0.009859 tlogG= -0.045635 logG= -0.055494 Density= 0.215004 ETOT(band)= -0.232552 trlgG= -0.290227 logG= -0.055494 TDE= -0.341128 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.046862 logG= -0.057477 logGD-logG0= -0.001623 tlogG= -0.006988 logG= -0.008612 Density= 0.036174 ETOT(band)= -0.038152 trlgG= -0.047283 logG= -0.008612 TDE= -0.056572 Density= 0.215291 ETOT(band)= -0.233501 trlgG= -0.293305 logG= -0.057477 TDE= -0.342366 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047931 logG= -0.058455 Density= 0.215764 ETOT(band)= -0.233850 trlgG= -0.294905 logG= -0.058455 TDE= -0.343221 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010181 tlogG= -0.047646 logG= -0.057826 logGD-logG0= -0.010599 tlogG= -0.047518 logG= -0.058117 Density= 0.213798 ETOT(band)= -0.234353 trlgG= -0.294080 logG= -0.057826 TDE= -0.342052 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.047292 logG= -0.057701 Density= 0.214113 ETOT(band)= -0.234142 trlgG= -0.293555 logG= -0.057701 TDE= -0.341808 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215566 ETOT(band)= -0.233735 trlgG= -0.294344 logG= -0.058117 TDE= -0.342900 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010664 tlogG= -0.048130 logG= -0.058793 Density= 0.215287 ETOT(band)= -0.234309 trlgG= -0.295443 logG= -0.058793 TDE= -0.343184 logGD-logG0= -0.002401 tlogG= -0.010421 logG= -0.012823 Density= 0.054346 ETOT(band)= -0.057110 trlgG= -0.070746 logG= -0.012823 TDE= -0.084816 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.047404 logG= -0.057977 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215331 ETOT(band)= -0.233778 trlgG= -0.294107 logG= -0.057977 TDE= -0.342686 logGD-logG0= -0.009785 tlogG= -0.047211 logG= -0.056996 logGD-logG0= -0.002462 tlogG= -0.010837 logG= -0.013299 Density= 0.214329 ETOT(band)= -0.233708 trlgG= -0.292962 logG= -0.056996 TDE= -0.342026 Density= 0.054028 ETOT(band)= -0.057630 trlgG= -0.071596 logG= -0.013299 TDE= -0.085032 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010579 tlogG= -0.047880 logG= -0.058459 Density= 0.215634 ETOT(band)= -0.233924 trlgG= -0.294909 logG= -0.058459 TDE= -0.343157 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.021555 logG= -0.026457 Density= 0.108448 ETOT(band)= -0.114956 trlgG= -0.142931 logG= -0.026457 TDE= -0.170139 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004989 tlogG= -0.021866 logG= -0.026855 Density= 0.108256 ETOT(band)= -0.115324 trlgG= -0.143613 logG= -0.026855 TDE= -0.170328 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004820 tlogG= -0.020979 logG= -0.025800 Density= 0.108645 ETOT(band)= -0.114367 trlgG= -0.141771 logG= -0.025800 TDE= -0.169735 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010087 tlogG= -0.047137 logG= -0.057223 Density= 0.215010 ETOT(band)= -0.233515 trlgG= -0.292882 logG= -0.057223 TDE= -0.342056 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.021688 logG= -0.026695 Density= 0.107860 ETOT(band)= -0.115424 trlgG= -0.143368 logG= -0.026695 TDE= -0.170047 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010011 tlogG= -0.043374 logG= -0.053385 Density= 0.216139 ETOT(band)= -0.230634 trlgG= -0.286708 logG= -0.053385 TDE= -0.340279 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005068 tlogG= -0.021811 logG= -0.026879 Density= 0.107716 ETOT(band)= -0.115618 trlgG= -0.143679 logG= -0.026879 TDE= -0.170103 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005263 tlogG= -0.024053 logG= -0.029316 Density= 0.107880 ETOT(band)= -0.116990 trlgG= -0.147603 logG= -0.029316 TDE= -0.171671 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.022975 logG= -0.028079 Density= 0.108067 ETOT(band)= -0.116188 trlgG= -0.145620 logG= -0.028079 TDE= -0.171018 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023757 logG= -0.028907 Density= 0.108112 ETOT(band)= -0.116620 trlgG= -0.146931 logG= -0.028907 TDE= -0.171523 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009474 tlogG= -0.045747 logG= -0.055221 Density= 0.214871 ETOT(band)= -0.232478 trlgG= -0.290237 logG= -0.055221 TDE= -0.341345 logGD-logG0= -0.010175 tlogG= -0.046396 logG= -0.056571 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215073 ETOT(band)= -0.233113 trlgG= -0.291863 logG= -0.056571 TDE= -0.341721 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010061 tlogG= -0.048016 logG= -0.058077 Density= 0.214386 ETOT(band)= -0.234269 trlgG= -0.294382 logG= -0.058077 TDE= -0.342394 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080582 ETOT(band)= -0.087463 trlgG= -0.109702 logG= -0.007003 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.022431 logG= -0.027546 Density= 0.216234 ETOT(band)= -0.231449 trlgG= -0.288831 logG= -0.027546 TDE= -0.170638 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.022961 logG= -0.028137 Density= 0.216090 ETOT(band)= -0.232247 trlgG= -0.290819 logG= -0.028137 TDE= -0.170974 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023408 logG= -0.028611 Density= 0.216065 ETOT(band)= -0.232821 trlgG= -0.292436 logG= -0.028611 TDE= -0.171262 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004780 tlogG= -0.023238 logG= -0.028019 Density= 0.213341 ETOT(band)= -0.233804 trlgG= -0.292480 logG= -0.028019 TDE= -0.170818 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023186 logG= -0.028355 Density= 0.214722 ETOT(band)= -0.233131 trlgG= -0.291465 logG= -0.028355 TDE= -0.170693 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005435 tlogG= -0.023345 logG= -0.028781 Density= 0.214965 ETOT(band)= -0.233527 trlgG= -0.292958 logG= -0.028781 TDE= -0.171038 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005617 logG= -0.006854 Density= 0.080784 ETOT(band)= -0.087032 trlgG= -0.108697 logG= -0.006854 TDE= -0.042688 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005466 logG= -0.006689 Density= 0.081149 ETOT(band)= -0.086416 trlgG= -0.107454 logG= -0.006689 TDE= -0.042590 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005854 logG= -0.007125 Density= 0.080595 ETOT(band)= -0.087678 trlgG= -0.110257 logG= -0.007125 TDE= -0.042830 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005937 logG= -0.007213 Density= 0.080781 ETOT(band)= -0.087711 trlgG= -0.110453 logG= -0.007213 TDE= -0.042884 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005982 logG= -0.007257 Density= 0.081012 ETOT(band)= -0.087612 trlgG= -0.110504 logG= -0.007257 TDE= -0.042914 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004578 tlogG= -0.023966 logG= -0.028544 Density= 0.212646 ETOT(band)= -0.234467 trlgG= -0.293745 logG= -0.028544 TDE= -0.170903 logGD-logG0= -0.005076 tlogG= -0.023951 logG= -0.029027 Density= 0.214193 ETOT(band)= -0.234275 trlgG= -0.294163 logG= -0.029027 TDE= -0.171137 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023995 logG= -0.029215 Density= 0.215552 ETOT(band)= -0.234025 trlgG= -0.295065 logG= -0.029215 TDE= -0.171652 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001433 tlogG= -0.007964 logG= -0.009397 Density= 0.070811 ETOT(band)= -0.078016 trlgG= -0.097541 logG= -0.009397 TDE= -0.056987 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.024001 logG= -0.028738 Density= 0.213971 ETOT(band)= -0.234269 trlgG= -0.294380 logG= -0.028738 TDE= -0.171304 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.023831 logG= -0.028664 Density= 0.213418 ETOT(band)= -0.234336 trlgG= -0.293997 logG= -0.028664 TDE= -0.171123 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023793 logG= -0.029047 Density= 0.215196 ETOT(band)= -0.233934 trlgG= -0.294409 logG= -0.029047 TDE= -0.171499 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023993 logG= -0.029176 Density= 0.216226 ETOT(band)= -0.233501 trlgG= -0.294579 logG= -0.029176 TDE= -0.171669 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023364 logG= -0.028013 Density= 0.214032 ETOT(band)= -0.233556 trlgG= -0.292586 logG= -0.028013 TDE= -0.170981 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023473 logG= -0.028724 Density= 0.215074 ETOT(band)= -0.233500 trlgG= -0.293147 logG= -0.028724 TDE= -0.171242 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.023874 logG= -0.028792 Density= 0.213634 ETOT(band)= -0.234195 trlgG= -0.293259 logG= -0.028792 TDE= -0.170867 logGD-logG0= -0.005313 tlogG= -0.024117 logG= -0.029430 Density= 0.215584 ETOT(band)= -0.234181 trlgG= -0.295481 logG= -0.029430 TDE= -0.171685 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004681 tlogG= -0.023361 logG= -0.028042 Density= 0.321412 ETOT(band)= -0.350331 trlgG= -0.439132 logG= -0.028042 TDE= -0.170973 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004770 tlogG= -0.023999 logG= -0.028770 Density= 0.321345 ETOT(band)= -0.351380 trlgG= -0.441710 logG= -0.028770 TDE= -0.171299 logGD-logG0= -0.005176 tlogG= -0.023950 logG= -0.029126 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216260 ETOT(band)= -0.233396 trlgG= -0.294346 logG= -0.029126 TDE= -0.171642 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023581 logG= -0.028068 Density= 0.212453 ETOT(band)= -0.234191 trlgG= -0.293001 logG= -0.028068 TDE= -0.170768 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.024155 logG= -0.029198 logGD-logG0= -0.010172 tlogG= -0.045612 logG= -0.055783 Density= 0.323838 ETOT(band)= -0.348195 trlgG= -0.435316 logG= -0.055783 TDE= -0.341601 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322229 ETOT(band)= -0.351484 trlgG= -0.442385 logG= -0.029198 TDE= -0.171304 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001185 tlogG= -0.005169 logG= -0.006354 logGD-logG0= -0.004433 tlogG= -0.023734 logG= -0.028167 Density= 0.212924 ETOT(band)= -0.233779 trlgG= -0.292022 logG= -0.028167 TDE= -0.170853 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.024150 logG= -0.029167 logGD-logG0= -0.010442 tlogG= -0.047223 logG= -0.057665 Density= 0.214598 ETOT(band)= -0.234344 trlgG= -0.294774 logG= -0.029167 TDE= -0.171309 Density= 0.323934 ETOT(band)= -0.349792 trlgG= -0.440022 logG= -0.057665 TDE= -0.342785 Density= 0.062496 ETOT(band)= -0.067598 trlgG= -0.084279 logG= -0.006354 TDE= -0.042377 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.024076 logG= -0.029324 Density= 0.322856 ETOT(band)= -0.351451 trlgG= -0.443035 logG= -0.029324 TDE= -0.171499 logGD-logG0= -0.005196 tlogG= -0.023756 logG= -0.028952 Density= 0.216148 ETOT(band)= -0.233199 trlgG= -0.293642 logG= -0.028952 TDE= -0.171501 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010685 tlogG= -0.048027 logG= -0.058712 logGD-logG0= -0.001580 tlogG= -0.006871 logG= -0.008450 Density= 0.040825 ETOT(band)= -0.042702 trlgG= -0.052837 logG= -0.008450 TDE= -0.056486 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323043 ETOT(band)= -0.351241 trlgG= -0.442729 logG= -0.058712 TDE= -0.343173 logGD-logG0= -0.009678 tlogG= -0.046591 logG= -0.056268 Density= 0.322489 ETOT(band)= -0.349275 trlgG= -0.436761 logG= -0.056268 TDE= -0.341754 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005361 tlogG= -0.023893 logG= -0.029254 Density= 0.215511 ETOT(band)= -0.233927 trlgG= -0.294792 logG= -0.029254 TDE= -0.171509 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023883 logG= -0.028487 Density= 0.213122 ETOT(band)= -0.234053 trlgG= -0.292748 logG= -0.028487 TDE= -0.170855 logGD-logG0= -0.004966 tlogG= -0.022898 logG= -0.027864 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214648 ETOT(band)= -0.232578 trlgG= -0.289932 logG= -0.027864 TDE= -0.170504 logGD-logG0= -0.005027 tlogG= -0.023236 logG= -0.028263 Density= 0.321482 ETOT(band)= -0.350836 trlgG= -0.439984 logG= -0.028263 TDE= -0.170928 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005346 tlogG= -0.023952 logG= -0.029298 Density= 0.323461 ETOT(band)= -0.350909 trlgG= -0.442467 logG= -0.029298 TDE= -0.171557 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023679 logG= -0.029088 Density= 0.215270 ETOT(band)= -0.233782 trlgG= -0.294096 logG= -0.029088 TDE= -0.171331 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007586 logG= -0.009157 Density= 0.071446 ETOT(band)= -0.077408 trlgG= -0.096237 logG= -0.009157 TDE= -0.056762 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008959 tlogG= -0.048083 logG= -0.057042 Density= 0.425207 ETOT(band)= -0.468734 trlgG= -0.586980 logG= -0.057042 TDE= -0.341924 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009637 tlogG= -0.047827 logG= -0.057464 Density= 0.427735 ETOT(band)= -0.468524 trlgG= -0.588348 logG= -0.057464 TDE= -0.342413 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010140 tlogG= -0.048135 logG= -0.058275 Density= 0.429012 ETOT(band)= -0.468623 trlgG= -0.589111 logG= -0.058275 TDE= -0.342458 logGD-logG0= -0.009446 tlogG= -0.046700 logG= -0.056146 Density= 0.427581 ETOT(band)= -0.466500 trlgG= -0.582347 logG= -0.056146 TDE= -0.341367 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.047943 logG= -0.058252 Density= 0.428915 ETOT(band)= -0.468586 trlgG= -0.588762 logG= -0.058252 TDE= -0.342302 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009498 tlogG= -0.046594 logG= -0.056092 Density= 0.427791 ETOT(band)= -0.467220 trlgG= -0.584952 logG= -0.056092 TDE= -0.341781 logGD-logG0= -0.010253 tlogG= -0.047654 logG= -0.057907 logGD-logG0= -0.010274 tlogG= -0.048207 logG= -0.058481 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427992 ETOT(band)= -0.468504 trlgG= -0.587678 logG= -0.057907 TDE= -0.342054 logGD-logG0= -0.004903 tlogG= -0.021292 logG= -0.026194 Density= 0.162551 ETOT(band)= -0.173106 trlgG= -0.216083 logG= -0.026194 TDE= -0.169951 Density= 0.429756 ETOT(band)= -0.468621 trlgG= -0.589879 logG= -0.058481 TDE= -0.342678 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.048055 logG= -0.058540 Density= 0.429863 ETOT(band)= -0.468451 trlgG= -0.589550 logG= -0.058540 TDE= -0.342804 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010653 tlogG= -0.047712 logG= -0.058366 Density= 0.430475 ETOT(band)= -0.467867 trlgG= -0.588828 logG= -0.058366 TDE= -0.342819 logGD-logG0= -0.010749 tlogG= -0.047683 logG= -0.058431 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430820 ETOT(band)= -0.467807 trlgG= -0.589183 logG= -0.058431 TDE= -0.342926 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047634 logG= -0.057286 Density= 0.426357 ETOT(band)= -0.468750 trlgG= -0.587495 logG= -0.057286 TDE= -0.341946 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.047754 logG= -0.057359 Density= 0.426864 ETOT(band)= -0.468294 trlgG= -0.586340 logG= -0.057359 TDE= -0.341647 logGD-logG0= -0.004790 tlogG= -0.022320 logG= -0.027110 Density= 0.214881 ETOT(band)= -0.232129 trlgG= -0.289331 logG= -0.027110 TDE= -0.170326 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009994 tlogG= -0.047546 logG= -0.057540 logGD-logG0= -0.009928 tlogG= -0.046387 logG= -0.056314 Density= 0.429235 ETOT(band)= -0.465914 trlgG= -0.582005 logG= -0.056314 TDE= -0.341476 Density= 0.428309 ETOT(band)= -0.467846 trlgG= -0.586711 logG= -0.057540 TDE= -0.342098 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010712 tlogG= -0.047252 logG= -0.057964 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430201 ETOT(band)= -0.467445 trlgG= -0.587356 logG= -0.057964 TDE= -0.342435 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.048008 logG= -0.058681 Density= 0.431063 ETOT(band)= -0.468088 trlgG= -0.590176 logG= -0.058681 TDE= -0.343191 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004301 tlogG= -0.024126 logG= -0.028426 Density= 0.212003 ETOT(band)= -0.234577 trlgG= -0.293953 logG= -0.028426 TDE= -0.171052 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005305 logG= -0.006509 Density= 0.081510 ETOT(band)= -0.085745 trlgG= -0.106290 logG= -0.006509 TDE= -0.042479 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009960 tlogG= -0.044606 logG= -0.054566 Density= 0.324080 ETOT(band)= -0.346924 trlgG= -0.432300 logG= -0.054566 TDE= -0.340922 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007114 logG= -0.008806 Density= 0.072185 ETOT(band)= -0.076533 trlgG= -0.094915 logG= -0.008806 TDE= -0.056647 logGD-logG0= -0.010237 tlogG= -0.047555 logG= -0.057792 Density= 0.429725 ETOT(band)= -0.467471 trlgG= -0.586638 logG= -0.057792 TDE= -0.342216 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004944 tlogG= -0.022286 logG= -0.027229 Density= 0.214106 ETOT(band)= -0.232624 trlgG= -0.289691 logG= -0.027229 TDE= -0.170240 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005074 tlogG= -0.023837 logG= -0.028911 Density= 0.215359 ETOT(band)= -0.233929 trlgG= -0.294515 logG= -0.028911 TDE= -0.171188 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.021871 logG= -0.026947 Density= 0.216492 ETOT(band)= -0.230449 trlgG= -0.286709 logG= -0.026947 TDE= -0.170298 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004986 tlogG= -0.021342 logG= -0.026327 Density= 0.216888 ETOT(band)= -0.229337 trlgG= -0.284500 logG= -0.026327 TDE= -0.169965 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004944 tlogG= -0.021197 logG= -0.026141 Density= 0.216208 ETOT(band)= -0.230204 trlgG= -0.285764 logG= -0.026141 TDE= -0.169871 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009808 tlogG= -0.044611 logG= -0.054419 Density= 0.431324 ETOT(band)= -0.462422 trlgG= -0.575202 logG= -0.054419 TDE= -0.340560 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010441 tlogG= -0.046401 logG= -0.056842 Density= 0.323794 ETOT(band)= -0.349138 trlgG= -0.437937 logG= -0.056842 TDE= -0.342227 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010395 tlogG= -0.047774 logG= -0.058169 Density= 0.324155 ETOT(band)= -0.350158 trlgG= -0.441369 logG= -0.058169 TDE= -0.343178 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022467 logG= -0.027380 logGD-logG0= -0.010313 tlogG= -0.046915 logG= -0.057228 Density= 0.429591 ETOT(band)= -0.466825 trlgG= -0.584707 logG= -0.057228 TDE= -0.341770 Density= 0.214874 ETOT(band)= -0.231840 trlgG= -0.288285 logG= -0.027380 TDE= -0.170253 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009813 tlogG= -0.047840 logG= -0.057652 Density= 0.428845 ETOT(band)= -0.468290 trlgG= -0.588307 logG= -0.057652 TDE= -0.342398 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022320 logG= -0.027150 Density= 0.322655 ETOT(band)= -0.348243 trlgG= -0.434371 logG= -0.027150 TDE= -0.170320 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.065278304447 eV TrLogG= -407.509678709388 eV Ratio to renormalize= 1.000701011770 rho-rho_expected=-0.015411455336 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964819892483022 0.940733992648584 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002604 tlogG= -0.012029 logG= -0.014633 Density= 0.053729 ETOT(band)= -0.058579 trlgG= -0.073747 logG= -0.014633 TDE= -0.085701 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002558 tlogG= -0.011982 logG= -0.014539 Density= 0.054107 ETOT(band)= -0.058337 trlgG= -0.073605 logG= -0.014539 TDE= -0.085840 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.023867 logG= -0.028990 Density= 0.108187 ETOT(band)= -0.116634 trlgG= -0.147066 logG= -0.028990 TDE= -0.171613 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023867 logG= -0.029140 Density= 0.107851 ETOT(band)= -0.116888 trlgG= -0.147313 logG= -0.029140 TDE= -0.171543 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009550 tlogG= -0.047918 logG= -0.057468 Density= 0.213118 ETOT(band)= -0.234447 trlgG= -0.293802 logG= -0.057468 TDE= -0.341795 logGD-logG0= -0.009822 tlogG= -0.047142 logG= -0.056963 Density= 0.213626 ETOT(band)= -0.233978 trlgG= -0.292872 logG= -0.056963 TDE= -0.341621 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009858 tlogG= -0.045639 logG= -0.055496 Density= 0.215008 ETOT(band)= -0.232562 trlgG= -0.290241 logG= -0.055496 TDE= -0.341141 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.021868 logG= -0.026856 Density= 0.108258 ETOT(band)= -0.115329 trlgG= -0.143619 logG= -0.026856 TDE= -0.170335 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004326 tlogG= -0.024047 logG= -0.028374 Density= 0.106034 ETOT(band)= -0.117269 trlgG= -0.146922 logG= -0.028374 TDE= -0.171020 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023201 logG= -0.027826 Density= 0.106657 ETOT(band)= -0.116719 trlgG= -0.145596 logG= -0.027826 TDE= -0.170550 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004353 tlogG= -0.023970 logG= -0.028323 Density= 0.106086 ETOT(band)= -0.117224 trlgG= -0.146808 logG= -0.028323 TDE= -0.170982 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023495 logG= -0.028233 Density= 0.106696 ETOT(band)= -0.116910 trlgG= -0.146079 logG= -0.028233 TDE= -0.170644 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004541 ETOT(band)= -0.004736 trlgG= -0.005857 logG= -0.001048 TDE= -0.007056 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002422 tlogG= -0.012080 logG= -0.014501 Density= 0.053548 ETOT(band)= -0.058592 trlgG= -0.073690 logG= -0.014501 TDE= -0.085686 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011445 logG= -0.013778 Density= 0.053700 ETOT(band)= -0.058116 trlgG= -0.072561 logG= -0.013778 TDE= -0.085357 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.007303 logG= -0.008992 Density= 0.035819 ETOT(band)= -0.038606 trlgG= -0.047950 logG= -0.008992 TDE= -0.056683 logGD-logG0= -0.002401 tlogG= -0.010422 logG= -0.012823 Density= 0.054347 ETOT(band)= -0.057112 trlgG= -0.070749 logG= -0.012823 TDE= -0.084820 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001487 tlogG= -0.007810 logG= -0.009297 Density= 0.035465 ETOT(band)= -0.038958 trlgG= -0.048651 logG= -0.009297 TDE= -0.056904 logGD-logG0= -0.001406 tlogG= -0.008043 logG= -0.009450 Density= 0.035285 ETOT(band)= -0.039111 trlgG= -0.049017 logG= -0.009450 TDE= -0.057028 logGD-logG0= -0.001623 tlogG= -0.006989 logG= -0.008612 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011881 logG= -0.014208 Density= 0.053525 ETOT(band)= -0.058448 trlgG= -0.073328 logG= -0.014208 TDE= -0.085607 Density= 0.036175 ETOT(band)= -0.038154 trlgG= -0.047285 logG= -0.008612 TDE= -0.056574 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023759 logG= -0.028908 logGD-logG0= -0.005103 tlogG= -0.022977 logG= -0.028080 Density= 0.108069 ETOT(band)= -0.116193 trlgG= -0.145627 logG= -0.028080 TDE= -0.171025 Density= 0.108115 ETOT(band)= -0.116625 trlgG= -0.146937 logG= -0.028908 TDE= -0.171530 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024084 logG= -0.029372 logGD-logG0= -0.005036 tlogG= -0.022451 logG= -0.027486 Density= 0.108137 ETOT(band)= -0.115820 trlgG= -0.144678 logG= -0.027486 TDE= -0.170704 Density= 0.107822 ETOT(band)= -0.117063 trlgG= -0.147699 logG= -0.029372 TDE= -0.171684 logGD-logG0= -0.005144 tlogG= -0.023426 logG= -0.028570 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108066 ETOT(band)= -0.116463 trlgG= -0.146402 logG= -0.028570 TDE= -0.171308 logGD-logG0= -0.005135 tlogG= -0.023946 logG= -0.029081 logGD-logG0= -0.004953 tlogG= -0.022163 logG= -0.027115 Density= 0.108294 ETOT(band)= -0.115513 trlgG= -0.144069 logG= -0.027115 TDE= -0.170542 logGD-logG0= -0.004865 tlogG= -0.022844 logG= -0.027708 Density= 0.107678 ETOT(band)= -0.116181 trlgG= -0.145046 logG= -0.027708 TDE= -0.170622 Density= 0.108166 ETOT(band)= -0.116699 trlgG= -0.147215 logG= -0.029081 TDE= -0.171660 logGD-logG0= -0.004550 tlogG= -0.024041 logG= -0.028591 Density= 0.106308 ETOT(band)= -0.117254 trlgG= -0.146927 logG= -0.028591 TDE= -0.170943 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002627 tlogG= -0.011986 logG= -0.014613 Density= 0.053951 ETOT(band)= -0.058459 trlgG= -0.073728 logG= -0.014613 TDE= -0.085812 logGD-logG0= -0.004997 tlogG= -0.024087 logG= -0.029084 Density= 0.107309 ETOT(band)= -0.117125 trlgG= -0.147259 logG= -0.029084 TDE= -0.171277 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024065 logG= -0.029347 logGD-logG0= -0.005290 tlogG= -0.023679 logG= -0.028968 Density= 0.107575 ETOT(band)= -0.117157 trlgG= -0.147638 logG= -0.029347 TDE= -0.171525 Density= 0.107160 ETOT(band)= -0.117094 trlgG= -0.146973 logG= -0.028968 TDE= -0.171032 logGD-logG0= -0.005126 tlogG= -0.023601 logG= -0.028726 Density= 0.108140 ETOT(band)= -0.116509 trlgG= -0.146646 logG= -0.028726 TDE= -0.171433 logGD-logG0= -0.005232 tlogG= -0.023962 logG= -0.029194 logGD-logG0= -0.005315 tlogG= -0.023895 logG= -0.029210 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107375 ETOT(band)= -0.117145 trlgG= -0.147366 logG= -0.029194 TDE= -0.171307 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107685 ETOT(band)= -0.117022 trlgG= -0.147421 logG= -0.029210 TDE= -0.171499 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.022402 logG= -0.027415 Density= 0.107563 ETOT(band)= -0.116053 trlgG= -0.144563 logG= -0.027415 TDE= -0.170376 logGD-logG0= -0.004711 tlogG= -0.022985 logG= -0.027696 Density= 0.106794 ETOT(band)= -0.116587 trlgG= -0.145333 logG= -0.027696 TDE= -0.170484 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.022728 logG= -0.027759 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.023683 logG= -0.028515 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108183 ETOT(band)= -0.115956 trlgG= -0.145114 logG= -0.027759 TDE= -0.170890 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107307 ETOT(band)= -0.116814 trlgG= -0.146518 logG= -0.028515 TDE= -0.171103 logGD-logG0= -0.004711 tlogG= -0.023683 logG= -0.028393 Density= 0.106900 ETOT(band)= -0.116937 trlgG= -0.146613 logG= -0.028393 TDE= -0.171120 logGD-logG0= -0.005004 tlogG= -0.023635 logG= -0.028639 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.022868 logG= -0.027982 Density= 0.107545 ETOT(band)= -0.116386 trlgG= -0.145461 logG= -0.027982 TDE= -0.170698 logGD-logG0= -0.005096 tlogG= -0.023210 logG= -0.028306 Density= 0.108130 ETOT(band)= -0.116286 trlgG= -0.145982 logG= -0.028306 TDE= -0.171184 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.023885 logG= -0.028796 Density= 0.106680 ETOT(band)= -0.117211 trlgG= -0.147038 logG= -0.028796 TDE= -0.171033 Density= 0.106903 ETOT(band)= -0.117026 trlgG= -0.146424 logG= -0.028639 TDE= -0.170686 logGD-logG0= -0.005320 tlogG= -0.024131 logG= -0.029451 Density= 0.107745 ETOT(band)= -0.117152 trlgG= -0.147826 logG= -0.029451 TDE= -0.171693 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004884 tlogG= -0.024065 logG= -0.028949 Density= 0.106983 ETOT(band)= -0.117189 trlgG= -0.147289 logG= -0.028949 TDE= -0.171281 logGD-logG0= -0.004685 tlogG= -0.023663 logG= -0.028348 Density= 0.106519 ETOT(band)= -0.117058 trlgG= -0.146512 logG= -0.028348 TDE= -0.170876 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023188 logG= -0.028494 Density= 0.107614 ETOT(band)= -0.116633 trlgG= -0.146270 logG= -0.028494 TDE= -0.171029 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023576 logG= -0.028887 Density= 0.107733 ETOT(band)= -0.116793 trlgG= -0.146899 logG= -0.028887 TDE= -0.171323 logGD-logG0= -0.005067 tlogG= -0.021813 logG= -0.026880 Density= 0.107718 ETOT(band)= -0.115623 trlgG= -0.143686 logG= -0.026880 TDE= -0.170110 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.045751 logG= -0.055223 Density= 0.214874 ETOT(band)= -0.232489 trlgG= -0.290251 logG= -0.055223 TDE= -0.341359 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004741 tlogG= -0.022847 logG= -0.027589 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005262 tlogG= -0.024055 logG= -0.029317 Density= 0.107223 ETOT(band)= -0.116329 trlgG= -0.145177 logG= -0.027589 TDE= -0.170648 Density= 0.107882 ETOT(band)= -0.116995 trlgG= -0.147610 logG= -0.029317 TDE= -0.171678 logGD-logG0= -0.009118 tlogG= -0.047622 logG= -0.056740 logGD-logG0= -0.009753 tlogG= -0.045582 logG= -0.055334 Density= 0.214213 ETOT(band)= -0.232845 trlgG= -0.290436 logG= -0.055334 TDE= -0.341105 logGD-logG0= -0.009790 tlogG= -0.048235 logG= -0.058025 Density= 0.212766 ETOT(band)= -0.234242 trlgG= -0.293156 logG= -0.056740 TDE= -0.341704 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214258 ETOT(band)= -0.234335 trlgG= -0.294650 logG= -0.058025 TDE= -0.342651 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009936 tlogG= -0.047892 logG= -0.057828 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213822 ETOT(band)= -0.234377 trlgG= -0.294343 logG= -0.057828 TDE= -0.342324 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009656 tlogG= -0.047152 logG= -0.056807 Density= 0.213615 ETOT(band)= -0.233934 trlgG= -0.293081 logG= -0.056807 TDE= -0.341981 logGD-logG0= -0.010512 tlogG= -0.047737 logG= -0.058249 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214618 ETOT(band)= -0.234254 trlgG= -0.294487 logG= -0.058249 TDE= -0.342442 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009428 tlogG= -0.047439 logG= -0.056866 Density= 0.214165 ETOT(band)= -0.233760 trlgG= -0.293205 logG= -0.056866 TDE= -0.342318 logGD-logG0= -0.010549 tlogG= -0.048003 logG= -0.058552 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214972 ETOT(band)= -0.234296 trlgG= -0.295022 logG= -0.058552 TDE= -0.342848 logGD-logG0= -0.010316 tlogG= -0.047968 logG= -0.058284 Density= 0.214937 ETOT(band)= -0.234160 trlgG= -0.294578 logG= -0.058284 TDE= -0.342656 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010467 tlogG= -0.048071 logG= -0.058537 Density= 0.214935 ETOT(band)= -0.234305 trlgG= -0.294995 logG= -0.058537 TDE= -0.342818 logGD-logG0= -0.010377 tlogG= -0.047776 logG= -0.058153 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214516 ETOT(band)= -0.234249 trlgG= -0.294319 logG= -0.058153 TDE= -0.342319 logGD-logG0= -0.010408 tlogG= -0.047295 logG= -0.057703 logGD-logG0= -0.010179 tlogG= -0.047649 logG= -0.057829 logGD-logG0= -0.010614 tlogG= -0.046865 logG= -0.057479 Density= 0.215296 ETOT(band)= -0.233511 trlgG= -0.293319 logG= -0.057479 TDE= -0.342380 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010522 tlogG= -0.047935 logG= -0.058457 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215768 ETOT(band)= -0.233860 trlgG= -0.294919 logG= -0.058457 TDE= -0.343235 Density= 0.213802 ETOT(band)= -0.234364 trlgG= -0.294095 logG= -0.057829 TDE= -0.342066 logGD-logG0= -0.010597 tlogG= -0.047522 logG= -0.058119 logGD-logG0= -0.010060 tlogG= -0.048019 logG= -0.058079 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010662 tlogG= -0.048133 logG= -0.058795 Density= 0.214390 ETOT(band)= -0.234280 trlgG= -0.294396 logG= -0.058079 TDE= -0.342408 Density= 0.214117 ETOT(band)= -0.234153 trlgG= -0.293570 logG= -0.057703 TDE= -0.341822 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215291 ETOT(band)= -0.234319 trlgG= -0.295457 logG= -0.058795 TDE= -0.343198 Density= 0.215570 ETOT(band)= -0.233745 trlgG= -0.294358 logG= -0.058119 TDE= -0.342914 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010572 tlogG= -0.047407 logG= -0.057979 Density= 0.215335 ETOT(band)= -0.233788 trlgG= -0.294121 logG= -0.057979 TDE= -0.342700 logGD-logG0= -0.010173 tlogG= -0.046400 logG= -0.056573 Density= 0.215077 ETOT(band)= -0.233124 trlgG= -0.291877 logG= -0.056573 TDE= -0.341735 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.047215 logG= -0.056998 Density= 0.214333 ETOT(band)= -0.233719 trlgG= -0.292976 logG= -0.056998 TDE= -0.342040 logGD-logG0= -0.010577 tlogG= -0.047884 logG= -0.058461 Density= 0.215639 ETOT(band)= -0.233934 trlgG= -0.294923 logG= -0.058461 TDE= -0.343171 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002461 tlogG= -0.010838 logG= -0.013300 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054029 ETOT(band)= -0.057633 trlgG= -0.071599 logG= -0.013300 TDE= -0.085036 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010085 tlogG= -0.047140 logG= -0.057225 Density= 0.215014 ETOT(band)= -0.233526 trlgG= -0.292896 logG= -0.057225 TDE= -0.342071 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.021557 logG= -0.026458 Density= 0.108450 ETOT(band)= -0.114961 trlgG= -0.142937 logG= -0.026458 TDE= -0.170146 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004819 tlogG= -0.020981 logG= -0.025801 Density= 0.108647 ETOT(band)= -0.114372 trlgG= -0.141778 logG= -0.025801 TDE= -0.169741 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010009 tlogG= -0.043378 logG= -0.053387 Density= 0.216143 ETOT(band)= -0.230644 trlgG= -0.286721 logG= -0.053387 TDE= -0.340293 logGD-logG0= -0.005007 tlogG= -0.021689 logG= -0.026696 Density= 0.107862 ETOT(band)= -0.115429 trlgG= -0.143375 logG= -0.026696 TDE= -0.170054 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001276 tlogG= -0.005938 logG= -0.007214 Density= 0.080782 ETOT(band)= -0.087715 trlgG= -0.110459 logG= -0.007214 TDE= -0.042886 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023953 logG= -0.029127 Density= 0.216265 ETOT(band)= -0.233406 trlgG= -0.294359 logG= -0.029127 TDE= -0.171649 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005360 tlogG= -0.023895 logG= -0.029255 Density= 0.215515 ETOT(band)= -0.233937 trlgG= -0.294805 logG= -0.029255 TDE= -0.171516 logGD-logG0= -0.004901 tlogG= -0.021294 logG= -0.026195 Density= 0.162554 ETOT(band)= -0.173113 trlgG= -0.216093 logG= -0.026195 TDE= -0.169958 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009651 tlogG= -0.047637 logG= -0.057288 Density= 0.426363 ETOT(band)= -0.468772 trlgG= -0.587525 logG= -0.057288 TDE= -0.341960 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.047756 logG= -0.057361 Density= 0.426871 ETOT(band)= -0.468316 trlgG= -0.586370 logG= -0.057361 TDE= -0.341661 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009926 tlogG= -0.046391 logG= -0.056316 Density= 0.429242 ETOT(band)= -0.465935 trlgG= -0.582033 logG= -0.056316 TDE= -0.341490 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.044609 logG= -0.054568 Density= 0.324086 ETOT(band)= -0.346939 trlgG= -0.432321 logG= -0.054568 TDE= -0.340936 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004300 tlogG= -0.024128 logG= -0.028428 Density= 0.212005 ETOT(band)= -0.234588 trlgG= -0.293969 logG= -0.028428 TDE= -0.171059 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023885 logG= -0.028488 Density= 0.213125 ETOT(band)= -0.234064 trlgG= -0.292762 logG= -0.028488 TDE= -0.170862 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001571 tlogG= -0.007587 logG= -0.009158 Density= 0.071447 ETOT(band)= -0.077411 trlgG= -0.096242 logG= -0.009158 TDE= -0.056764 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004432 tlogG= -0.023736 logG= -0.028168 Density= 0.212927 ETOT(band)= -0.233790 trlgG= -0.292037 logG= -0.028168 TDE= -0.170860 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005854 logG= -0.007126 Density= 0.080597 ETOT(band)= -0.087682 trlgG= -0.110262 logG= -0.007126 TDE= -0.042832 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005618 logG= -0.006854 logGD-logG0= -0.001204 tlogG= -0.005305 logG= -0.006509 Density= 0.081512 ETOT(band)= -0.085749 trlgG= -0.106295 logG= -0.006509 TDE= -0.042480 Density= 0.080785 ETOT(band)= -0.087036 trlgG= -0.108702 logG= -0.006854 TDE= -0.042689 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004487 tlogG= -0.023582 logG= -0.028069 Density= 0.212456 ETOT(band)= -0.234203 trlgG= -0.293016 logG= -0.028069 TDE= -0.170775 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080583 ETOT(band)= -0.087467 trlgG= -0.109707 logG= -0.007003 TDE= -0.042766 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005983 logG= -0.007257 Density= 0.081014 ETOT(band)= -0.087615 trlgG= -0.110509 logG= -0.007257 TDE= -0.042916 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.022469 logG= -0.027381 Density= 0.214878 ETOT(band)= -0.231850 trlgG= -0.288299 logG= -0.027381 TDE= -0.170260 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.023796 logG= -0.029048 logGD-logG0= -0.005218 tlogG= -0.023998 logG= -0.029216 Density= 0.215556 ETOT(band)= -0.234035 trlgG= -0.295078 logG= -0.029216 TDE= -0.171659 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215200 ETOT(band)= -0.233944 trlgG= -0.294423 logG= -0.029048 TDE= -0.171506 logGD-logG0= -0.001691 tlogG= -0.007115 logG= -0.008806 Density= 0.072186 ETOT(band)= -0.076537 trlgG= -0.094920 logG= -0.008806 TDE= -0.056649 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001433 tlogG= -0.007964 logG= -0.009397 Density= 0.070812 ETOT(band)= -0.078019 trlgG= -0.097546 logG= -0.009397 TDE= -0.056989 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023996 logG= -0.029177 Density= 0.216231 ETOT(band)= -0.233510 trlgG= -0.294592 logG= -0.029177 TDE= -0.171676 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023475 logG= -0.028725 Density= 0.215078 ETOT(band)= -0.233511 trlgG= -0.293161 logG= -0.028725 TDE= -0.171249 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004770 tlogG= -0.024001 logG= -0.028771 Density= 0.321351 ETOT(band)= -0.351396 trlgG= -0.441732 logG= -0.028771 TDE= -0.171306 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004680 tlogG= -0.023363 logG= -0.028043 Density= 0.321418 ETOT(band)= -0.350347 trlgG= -0.439154 logG= -0.028043 TDE= -0.170980 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.024119 logG= -0.029431 Density= 0.215589 ETOT(band)= -0.234191 trlgG= -0.295495 logG= -0.029431 TDE= -0.171692 logGD-logG0= -0.010392 tlogG= -0.047779 logG= -0.058171 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324163 ETOT(band)= -0.350172 trlgG= -0.441389 logG= -0.058171 TDE= -0.343192 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.022433 logG= -0.027547 logGD-logG0= -0.010170 tlogG= -0.045615 logG= -0.055786 Density= 0.216238 ETOT(band)= -0.231459 trlgG= -0.288845 logG= -0.027547 TDE= -0.170645 Density= 0.323844 ETOT(band)= -0.348210 trlgG= -0.435337 logG= -0.055786 TDE= -0.341615 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023953 logG= -0.029028 logGD-logG0= -0.005073 tlogG= -0.023839 logG= -0.028912 logGD-logG0= -0.004578 tlogG= -0.023967 logG= -0.028545 Density= 0.212649 ETOT(band)= -0.234478 trlgG= -0.293760 logG= -0.028545 TDE= -0.170910 Density= 0.215364 ETOT(band)= -0.233939 trlgG= -0.294529 logG= -0.028912 TDE= -0.171195 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214197 ETOT(band)= -0.234286 trlgG= -0.294177 logG= -0.029028 TDE= -0.171144 logGD-logG0= -0.010439 tlogG= -0.047227 logG= -0.057667 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323941 ETOT(band)= -0.349807 trlgG= -0.440043 logG= -0.057667 TDE= -0.342799 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.024077 logG= -0.029325 Density= 0.322862 ETOT(band)= -0.351466 trlgG= -0.443056 logG= -0.029325 TDE= -0.171506 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.024152 logG= -0.029168 logGD-logG0= -0.001579 tlogG= -0.006871 logG= -0.008451 Density= 0.214602 ETOT(band)= -0.234355 trlgG= -0.294788 logG= -0.029168 TDE= -0.171316 Density= 0.040825 ETOT(band)= -0.042703 trlgG= -0.052839 logG= -0.008451 TDE= -0.056488 logGD-logG0= -0.009676 tlogG= -0.046594 logG= -0.056270 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322495 ETOT(band)= -0.349291 trlgG= -0.436782 logG= -0.056270 TDE= -0.341768 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.048031 logG= -0.058714 Density= 0.323050 ETOT(band)= -0.351256 trlgG= -0.442750 logG= -0.058714 TDE= -0.343188 logGD-logG0= -0.005041 tlogG= -0.024157 logG= -0.029199 Density= 0.322235 ETOT(band)= -0.351499 trlgG= -0.442407 logG= -0.029199 TDE= -0.171311 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023758 logG= -0.028952 logGD-logG0= -0.005175 tlogG= -0.022963 logG= -0.028138 Density= 0.216153 ETOT(band)= -0.233209 trlgG= -0.293656 logG= -0.028952 TDE= -0.171508 Density= 0.216094 ETOT(band)= -0.232257 trlgG= -0.290833 logG= -0.028138 TDE= -0.170981 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010439 tlogG= -0.046405 logG= -0.056844 Density= 0.323800 ETOT(band)= -0.349153 trlgG= -0.437958 logG= -0.056844 TDE= -0.342241 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023411 logG= -0.028612 Density= 0.216070 ETOT(band)= -0.232830 trlgG= -0.292449 logG= -0.028612 TDE= -0.171269 logGD-logG0= -0.005344 tlogG= -0.023955 logG= -0.029299 logGD-logG0= -0.009635 tlogG= -0.047831 logG= -0.057466 Density= 0.427743 ETOT(band)= -0.468546 trlgG= -0.588377 logG= -0.057466 TDE= -0.342427 logGD-logG0= -0.004918 tlogG= -0.023875 logG= -0.028793 Density= 0.213638 ETOT(band)= -0.234206 trlgG= -0.293274 logG= -0.028793 TDE= -0.170874 logGD-logG0= -0.001185 tlogG= -0.005169 logG= -0.006354 Density= 0.062497 ETOT(band)= -0.067601 trlgG= -0.084283 logG= -0.006354 TDE= -0.042378 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323468 ETOT(band)= -0.350924 trlgG= -0.442487 logG= -0.029299 TDE= -0.171564 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004832 tlogG= -0.023833 logG= -0.028665 Density= 0.213421 ETOT(band)= -0.234347 trlgG= -0.294012 logG= -0.028665 TDE= -0.171130 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004737 tlogG= -0.024003 logG= -0.028740 Density= 0.213975 ETOT(band)= -0.234280 trlgG= -0.294395 logG= -0.028740 TDE= -0.171311 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.022899 logG= -0.027865 Density= 0.214651 ETOT(band)= -0.232588 trlgG= -0.289946 logG= -0.027865 TDE= -0.170511 logGD-logG0= -0.005408 tlogG= -0.023681 logG= -0.029089 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215275 ETOT(band)= -0.233792 trlgG= -0.294110 logG= -0.029089 TDE= -0.171338 logGD-logG0= -0.005027 tlogG= -0.023238 logG= -0.028264 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010252 tlogG= -0.047658 logG= -0.057909 Density= 0.321488 ETOT(band)= -0.350852 trlgG= -0.440006 logG= -0.028264 TDE= -0.170935 Density= 0.428000 ETOT(band)= -0.468525 trlgG= -0.587707 logG= -0.057909 TDE= -0.342068 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.023241 logG= -0.028020 logGD-logG0= -0.004648 tlogG= -0.023366 logG= -0.028014 logGD-logG0= -0.005169 tlogG= -0.023187 logG= -0.028356 Density= 0.214725 ETOT(band)= -0.233141 trlgG= -0.291479 logG= -0.028356 TDE= -0.170700 Density= 0.214035 ETOT(band)= -0.233567 trlgG= -0.292600 logG= -0.028014 TDE= -0.170988 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213344 ETOT(band)= -0.233815 trlgG= -0.292495 logG= -0.028020 TDE= -0.170825 logGD-logG0= -0.005435 tlogG= -0.023347 logG= -0.028782 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010139 tlogG= -0.048139 logG= -0.058278 Density= 0.429021 ETOT(band)= -0.468644 trlgG= -0.589139 logG= -0.058278 TDE= -0.342472 logGD-logG0= -0.008958 tlogG= -0.048086 logG= -0.057045 Density= 0.214969 ETOT(band)= -0.233537 trlgG= -0.292972 logG= -0.028782 TDE= -0.171045 Density= 0.425213 ETOT(band)= -0.468757 trlgG= -0.587010 logG= -0.057045 TDE= -0.341938 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009445 tlogG= -0.046703 logG= -0.056148 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427587 ETOT(band)= -0.466522 trlgG= -0.582377 logG= -0.056148 TDE= -0.341381 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010746 tlogG= -0.047687 logG= -0.058433 Density= 0.430829 ETOT(band)= -0.467827 trlgG= -0.589211 logG= -0.058433 TDE= -0.342940 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009496 tlogG= -0.046598 logG= -0.056094 Density= 0.427798 ETOT(band)= -0.467242 trlgG= -0.584982 logG= -0.056094 TDE= -0.341795 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010273 tlogG= -0.048210 logG= -0.058483 Density= 0.429764 ETOT(band)= -0.468642 trlgG= -0.589908 logG= -0.058483 TDE= -0.342693 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010652 tlogG= -0.047716 logG= -0.058368 Density= 0.430484 ETOT(band)= -0.467887 trlgG= -0.588856 logG= -0.058368 TDE= -0.342834 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010308 tlogG= -0.047947 logG= -0.058255 Density= 0.428923 ETOT(band)= -0.468607 trlgG= -0.588791 logG= -0.058255 TDE= -0.342317 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.048059 logG= -0.058542 logGD-logG0= -0.010711 tlogG= -0.047255 logG= -0.057966 Density= 0.430210 ETOT(band)= -0.467465 trlgG= -0.587385 logG= -0.057966 TDE= -0.342449 Density= 0.429871 ETOT(band)= -0.468471 trlgG= -0.589579 logG= -0.058542 TDE= -0.342818 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010312 tlogG= -0.046919 logG= -0.057231 Density= 0.429599 ETOT(band)= -0.466846 trlgG= -0.584736 logG= -0.057231 TDE= -0.341784 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009811 tlogG= -0.047843 logG= -0.057654 Density= 0.428852 ETOT(band)= -0.468311 trlgG= -0.588336 logG= -0.057654 TDE= -0.342411 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009992 tlogG= -0.047550 logG= -0.057542 Density= 0.428317 ETOT(band)= -0.467867 trlgG= -0.586740 logG= -0.057542 TDE= -0.342111 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010670 tlogG= -0.048013 logG= -0.058683 Density= 0.431072 ETOT(band)= -0.468108 trlgG= -0.590204 logG= -0.058683 TDE= -0.343205 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004829 tlogG= -0.022322 logG= -0.027151 Density= 0.322660 ETOT(band)= -0.348259 trlgG= -0.434392 logG= -0.027151 TDE= -0.170327 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010236 tlogG= -0.047558 logG= -0.057794 Density= 0.429733 ETOT(band)= -0.467492 trlgG= -0.586667 logG= -0.057794 TDE= -0.342230 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004943 tlogG= -0.022288 logG= -0.027231 Density= 0.214109 ETOT(band)= -0.232635 trlgG= -0.289706 logG= -0.027231 TDE= -0.170247 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001223 tlogG= -0.005466 logG= -0.006689 Density= 0.081151 ETOT(band)= -0.086420 trlgG= -0.107459 logG= -0.006689 TDE= -0.042592 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004789 tlogG= -0.022322 logG= -0.027111 Density= 0.214884 ETOT(band)= -0.232140 trlgG= -0.289345 logG= -0.027111 TDE= -0.170333 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005075 tlogG= -0.021873 logG= -0.026948 Density= 0.216496 ETOT(band)= -0.230459 trlgG= -0.286723 logG= -0.026948 TDE= -0.170304 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004984 tlogG= -0.021344 logG= -0.026328 Density= 0.216892 ETOT(band)= -0.229347 trlgG= -0.284513 logG= -0.026328 TDE= -0.169972 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009806 tlogG= -0.044615 logG= -0.054421 Density= 0.431331 ETOT(band)= -0.462443 trlgG= -0.575230 logG= -0.054421 TDE= -0.340574 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004943 tlogG= -0.021199 logG= -0.026142 Density= 0.216212 ETOT(band)= -0.230214 trlgG= -0.285777 logG= -0.026142 TDE= -0.169878 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.079761315005 eV TrLogG= -407.532233785921 eV Ratio to renormalize= 1.000682750715 rho-rho_expected=-0.015010267459 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 60) Finished k-point number 122 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964799288415785 0.940712171164916 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002272 tlogG= -0.011884 logG= -0.014156 Density= 0.053546 ETOT(band)= -0.058443 trlgG= -0.073266 logG= -0.014156 TDE= -0.085607 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004441 tlogG= -0.024044 logG= -0.028486 Density= 0.106351 ETOT(band)= -0.117243 trlgG= -0.146802 logG= -0.028486 TDE= -0.170944 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.023639 logG= -0.028535 Density= 0.106946 ETOT(band)= -0.117015 trlgG= -0.146300 logG= -0.028535 TDE= -0.170687 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004576 tlogG= -0.023667 logG= -0.028243 logGD-logG0= -0.004602 tlogG= -0.023687 logG= -0.028289 Density= 0.106943 ETOT(band)= -0.116926 trlgG= -0.146489 logG= -0.028289 TDE= -0.171120 logGD-logG0= -0.004802 tlogG= -0.023889 logG= -0.028691 Density= 0.106562 ETOT(band)= -0.117047 trlgG= -0.146387 logG= -0.028243 TDE= -0.170876 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106723 ETOT(band)= -0.117200 trlgG= -0.146913 logG= -0.028691 TDE= -0.171034 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.008045 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039108 trlgG= -0.048975 logG= -0.009414 TDE= -0.057028 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023193 logG= -0.028391 Density= 0.107656 ETOT(band)= -0.116622 trlgG= -0.146147 logG= -0.028391 TDE= -0.171030 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004775 tlogG= -0.024069 logG= -0.028844 Density= 0.107025 ETOT(band)= -0.117178 trlgG= -0.147165 logG= -0.028844 TDE= -0.171282 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004217 tlogG= -0.024051 logG= -0.028268 Density= 0.106078 ETOT(band)= -0.117258 trlgG= -0.146796 logG= -0.028268 TDE= -0.171020 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004244 tlogG= -0.023974 logG= -0.028218 logGD-logG0= -0.004517 tlogG= -0.023205 logG= -0.027722 Density= 0.106701 ETOT(band)= -0.116708 trlgG= -0.145472 logG= -0.027722 TDE= -0.170551 Density= 0.106130 ETOT(band)= -0.117213 trlgG= -0.146682 logG= -0.028218 TDE= -0.170983 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.022407 logG= -0.027313 Density= 0.107605 ETOT(band)= -0.116042 trlgG= -0.144441 logG= -0.027313 TDE= -0.170376 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 logGD-logG0= -0.002367 tlogG= -0.012082 logG= -0.014449 Density= 0.004542 ETOT(band)= -0.004736 trlgG= -0.005852 logG= -0.001044 TDE= -0.007056 logGD-logG0= -0.002550 tlogG= -0.012032 logG= -0.014581 Density= 0.053749 ETOT(band)= -0.058573 trlgG= -0.073685 logG= -0.014581 TDE= -0.085701 Density= 0.053569 ETOT(band)= -0.058586 trlgG= -0.073627 logG= -0.014449 TDE= -0.085687 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002279 tlogG= -0.011448 logG= -0.013727 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053722 ETOT(band)= -0.058110 trlgG= -0.072500 logG= -0.013727 TDE= -0.085358 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001451 tlogG= -0.007811 logG= -0.009262 Density= 0.035480 ETOT(band)= -0.038955 trlgG= -0.048609 logG= -0.009262 TDE= -0.056904 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022456 logG= -0.027385 Density= 0.108179 ETOT(band)= -0.115809 trlgG= -0.144557 logG= -0.027385 TDE= -0.170704 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002504 tlogG= -0.011984 logG= -0.014488 Density= 0.054127 ETOT(band)= -0.058331 trlgG= -0.073544 logG= -0.014488 TDE= -0.085841 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 Density= 0.035834 ETOT(band)= -0.038602 trlgG= -0.047909 logG= -0.008958 TDE= -0.056683 logGD-logG0= -0.005175 tlogG= -0.024069 logG= -0.029243 Density= 0.107616 ETOT(band)= -0.117146 trlgG= -0.147515 logG= -0.029243 TDE= -0.171525 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005037 tlogG= -0.023431 logG= -0.028467 logGD-logG0= -0.005041 tlogG= -0.023764 logG= -0.028805 Density= 0.108155 ETOT(band)= -0.116613 trlgG= -0.146815 logG= -0.028805 TDE= -0.171531 Density= 0.108107 ETOT(band)= -0.116452 trlgG= -0.146280 logG= -0.028467 TDE= -0.171309 logGD-logG0= -0.004758 tlogG= -0.022848 logG= -0.027606 logGD-logG0= -0.004996 tlogG= -0.022982 logG= -0.027978 Density= 0.108111 ETOT(band)= -0.116182 trlgG= -0.145505 logG= -0.027978 TDE= -0.171025 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107720 ETOT(band)= -0.116170 trlgG= -0.144924 logG= -0.027606 TDE= -0.170623 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.022168 logG= -0.027014 logGD-logG0= -0.005027 tlogG= -0.023951 logG= -0.028978 Density= 0.108335 ETOT(band)= -0.115502 trlgG= -0.143947 logG= -0.027014 TDE= -0.170543 Density= 0.108206 ETOT(band)= -0.116687 trlgG= -0.147093 logG= -0.028978 TDE= -0.171661 logGD-logG0= -0.002573 tlogG= -0.011989 logG= -0.014561 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053971 ETOT(band)= -0.058454 trlgG= -0.073667 logG= -0.014561 TDE= -0.085813 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023683 logG= -0.028864 Density= 0.107201 ETOT(band)= -0.117083 trlgG= -0.146849 logG= -0.028864 TDE= -0.171033 logGD-logG0= -0.004988 tlogG= -0.023215 logG= -0.028204 Density= 0.108171 ETOT(band)= -0.116275 trlgG= -0.145860 logG= -0.028204 TDE= -0.171185 logGD-logG0= -0.005015 tlogG= -0.023872 logG= -0.028887 Density= 0.108227 ETOT(band)= -0.116623 trlgG= -0.146944 logG= -0.028887 TDE= -0.171613 logGD-logG0= -0.005124 tlogG= -0.023966 logG= -0.029090 Density= 0.107416 ETOT(band)= -0.117134 trlgG= -0.147243 logG= -0.029090 TDE= -0.171307 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.022733 logG= -0.027657 Density= 0.108225 ETOT(band)= -0.115945 trlgG= -0.144993 logG= -0.027657 TDE= -0.170891 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.023899 logG= -0.029107 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107726 ETOT(band)= -0.117011 trlgG= -0.147298 logG= -0.029107 TDE= -0.171500 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.024089 logG= -0.029268 Density= 0.107863 ETOT(band)= -0.117051 trlgG= -0.147576 logG= -0.029268 TDE= -0.171684 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.022989 logG= -0.027592 logGD-logG0= -0.005006 tlogG= -0.022873 logG= -0.027879 Density= 0.106837 ETOT(band)= -0.116576 trlgG= -0.145209 logG= -0.027592 TDE= -0.170485 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107588 ETOT(band)= -0.116375 trlgG= -0.145338 logG= -0.027879 TDE= -0.170698 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004630 tlogG= -0.023498 logG= -0.028129 Density= 0.106739 ETOT(band)= -0.116899 trlgG= -0.145954 logG= -0.028129 TDE= -0.170645 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005018 tlogG= -0.023606 logG= -0.028624 logGD-logG0= -0.004724 tlogG= -0.023687 logG= -0.028412 logGD-logG0= -0.004888 tlogG= -0.024092 logG= -0.028980 Density= 0.107351 ETOT(band)= -0.117114 trlgG= -0.147135 logG= -0.028980 TDE= -0.171278 Density= 0.107349 ETOT(band)= -0.116803 trlgG= -0.146394 logG= -0.028412 TDE= -0.171104 Density= 0.108181 ETOT(band)= -0.116498 trlgG= -0.146524 logG= -0.028624 TDE= -0.171433 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.022852 logG= -0.027486 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107266 ETOT(band)= -0.116318 trlgG= -0.145053 logG= -0.027486 TDE= -0.170648 logGD-logG0= -0.005165 tlogG= -0.023872 logG= -0.029037 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107891 ETOT(band)= -0.116877 trlgG= -0.147190 logG= -0.029037 TDE= -0.171543 logGD-logG0= -0.005153 tlogG= -0.024060 logG= -0.029214 logGD-logG0= -0.005203 tlogG= -0.023581 logG= -0.028784 Density= 0.107774 ETOT(band)= -0.116782 trlgG= -0.146776 logG= -0.028784 TDE= -0.171324 Density= 0.107923 ETOT(band)= -0.116983 trlgG= -0.147487 logG= -0.029214 TDE= -0.171679 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009572 tlogG= -0.048244 logG= -0.057816 Density= 0.214342 ETOT(band)= -0.234312 trlgG= -0.294401 logG= -0.057816 TDE= -0.342652 logGD-logG0= -0.009258 tlogG= -0.045759 logG= -0.055017 Density= 0.214960 ETOT(band)= -0.232467 trlgG= -0.290005 logG= -0.055017 TDE= -0.341360 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.047161 logG= -0.056599 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213701 ETOT(band)= -0.233912 trlgG= -0.292831 logG= -0.056599 TDE= -0.341982 logGD-logG0= -0.009718 tlogG= -0.047901 logG= -0.057619 Density= 0.213906 ETOT(band)= -0.234355 trlgG= -0.294093 logG= -0.057619 TDE= -0.342325 logGD-logG0= -0.008901 tlogG= -0.047629 logG= -0.056530 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212852 ETOT(band)= -0.234220 trlgG= -0.292905 logG= -0.056530 TDE= -0.341705 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009537 tlogG= -0.045591 logG= -0.055128 Density= 0.214299 ETOT(band)= -0.232823 trlgG= -0.290188 logG= -0.055128 TDE= -0.341106 logGD-logG0= -0.010295 tlogG= -0.047745 logG= -0.058040 Density= 0.214701 ETOT(band)= -0.234232 trlgG= -0.294239 logG= -0.058040 TDE= -0.342443 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009333 tlogG= -0.047926 logG= -0.057259 Density= 0.213203 ETOT(band)= -0.234425 trlgG= -0.293551 logG= -0.057259 TDE= -0.341796 logGD-logG0= -0.009606 tlogG= -0.047149 logG= -0.056755 Density= 0.213712 ETOT(band)= -0.233956 trlgG= -0.292622 logG= -0.056755 TDE= -0.341622 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010100 tlogG= -0.047977 logG= -0.058076 logGD-logG0= -0.004900 tlogG= -0.021694 logG= -0.026594 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215020 ETOT(band)= -0.234138 trlgG= -0.294331 logG= -0.058076 TDE= -0.342657 logGD-logG0= -0.009211 tlogG= -0.047448 logG= -0.056659 Density= 0.107904 ETOT(band)= -0.115419 trlgG= -0.143252 logG= -0.026594 TDE= -0.170054 Density= 0.214250 ETOT(band)= -0.233738 trlgG= -0.292957 logG= -0.056659 TDE= -0.342320 logGD-logG0= -0.002348 tlogG= -0.010425 logG= -0.012772 Density= 0.054368 ETOT(band)= -0.057107 trlgG= -0.070688 logG= -0.012772 TDE= -0.084820 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009962 tlogG= -0.047658 logG= -0.057620 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010250 tlogG= -0.048079 logG= -0.058329 Density= 0.213886 ETOT(band)= -0.234342 trlgG= -0.293845 logG= -0.057620 TDE= -0.342067 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215017 ETOT(band)= -0.234282 trlgG= -0.294748 logG= -0.058329 TDE= -0.342819 logGD-logG0= -0.009644 tlogG= -0.045647 logG= -0.055291 Density= 0.215092 ETOT(band)= -0.232541 trlgG= -0.289995 logG= -0.055291 TDE= -0.341143 logGD-logG0= -0.001588 tlogG= -0.006991 logG= -0.008578 Density= 0.036189 ETOT(band)= -0.038150 trlgG= -0.047245 logG= -0.008578 TDE= -0.056574 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002408 tlogG= -0.010840 logG= -0.013249 logGD-logG0= -0.010380 tlogG= -0.047533 logG= -0.057912 logGD-logG0= -0.009842 tlogG= -0.048028 logG= -0.057871 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214474 ETOT(band)= -0.234258 trlgG= -0.294148 logG= -0.057871 TDE= -0.342410 Density= 0.054050 ETOT(band)= -0.057627 trlgG= -0.071538 logG= -0.013249 TDE= -0.085036 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010305 tlogG= -0.047946 logG= -0.058250 Density= 0.215849 ETOT(band)= -0.233837 trlgG= -0.294674 logG= -0.058250 TDE= -0.343236 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215651 ETOT(band)= -0.233722 trlgG= -0.294112 logG= -0.057912 TDE= -0.342915 logGD-logG0= -0.010399 tlogG= -0.046874 logG= -0.057272 Density= 0.215378 ETOT(band)= -0.233489 trlgG= -0.293073 logG= -0.057272 TDE= -0.342381 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010191 tlogG= -0.047303 logG= -0.057495 Density= 0.214201 ETOT(band)= -0.234131 trlgG= -0.293321 logG= -0.057495 TDE= -0.341824 logGD-logG0= -0.010332 tlogG= -0.048012 logG= -0.058345 logGD-logG0= -0.010160 tlogG= -0.047785 logG= -0.057945 Density= 0.214599 ETOT(band)= -0.234227 trlgG= -0.294071 logG= -0.057945 TDE= -0.342320 Density= 0.215054 ETOT(band)= -0.234274 trlgG= -0.294775 logG= -0.058345 TDE= -0.342850 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010360 tlogG= -0.047895 logG= -0.058254 Density= 0.215720 ETOT(band)= -0.233911 trlgG= -0.294677 logG= -0.058254 TDE= -0.343172 logGD-logG0= -0.009959 tlogG= -0.046409 logG= -0.056367 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010356 tlogG= -0.047416 logG= -0.057772 Density= 0.215417 ETOT(band)= -0.233766 trlgG= -0.293875 logG= -0.057772 TDE= -0.342701 Density= 0.215161 ETOT(band)= -0.233102 trlgG= -0.291631 logG= -0.056367 TDE= -0.341737 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009567 tlogG= -0.047224 logG= -0.056791 Density= 0.214417 ETOT(band)= -0.233697 trlgG= -0.292728 logG= -0.056791 TDE= -0.342042 logGD-logG0= -0.004794 tlogG= -0.021562 logG= -0.026356 Density= 0.108491 ETOT(band)= -0.114951 trlgG= -0.142816 logG= -0.026356 TDE= -0.170146 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009870 tlogG= -0.047149 logG= -0.057019 Density= 0.215097 ETOT(band)= -0.233503 trlgG= -0.292650 logG= -0.057019 TDE= -0.342072 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.021873 logG= -0.026753 Density= 0.108299 ETOT(band)= -0.115319 trlgG= -0.143497 logG= -0.026753 TDE= -0.170336 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004713 tlogG= -0.020986 logG= -0.025699 Density= 0.108689 ETOT(band)= -0.114361 trlgG= -0.141657 logG= -0.025699 TDE= -0.169742 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.021817 logG= -0.026777 Density= 0.107760 ETOT(band)= -0.115612 trlgG= -0.143563 logG= -0.026777 TDE= -0.170111 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009796 tlogG= -0.043387 logG= -0.053183 Density= 0.216226 ETOT(band)= -0.230623 trlgG= -0.286477 logG= -0.053183 TDE= -0.340294 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005212 tlogG= -0.024136 logG= -0.029347 Density= 0.107786 ETOT(band)= -0.117140 trlgG= -0.147703 logG= -0.029347 TDE= -0.171693 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010446 tlogG= -0.048142 logG= -0.058588 Density= 0.215373 ETOT(band)= -0.234296 trlgG= -0.295210 logG= -0.058588 TDE= -0.343200 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005748 logG= -0.006978 Density= 0.080615 ETOT(band)= -0.087458 trlgG= -0.109614 logG= -0.006978 TDE= -0.042766 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004469 tlogG= -0.023971 logG= -0.028440 Density= 0.212735 ETOT(band)= -0.234457 trlgG= -0.293509 logG= -0.028440 TDE= -0.170911 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023879 logG= -0.028689 Density= 0.213723 ETOT(band)= -0.234184 trlgG= -0.293025 logG= -0.028689 TDE= -0.170875 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023837 logG= -0.028560 Density= 0.213507 ETOT(band)= -0.234325 trlgG= -0.293762 logG= -0.028560 TDE= -0.171130 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.023245 logG= -0.027916 Density= 0.213430 ETOT(band)= -0.233793 trlgG= -0.292245 logG= -0.027916 TDE= -0.170826 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023371 logG= -0.027911 Density= 0.214121 ETOT(band)= -0.233545 trlgG= -0.292352 logG= -0.027911 TDE= -0.170989 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023351 logG= -0.028678 Density= 0.215052 ETOT(band)= -0.233515 trlgG= -0.292726 logG= -0.028678 TDE= -0.171045 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004628 tlogG= -0.024007 logG= -0.028635 Density= 0.214059 ETOT(band)= -0.234258 trlgG= -0.294145 logG= -0.028635 TDE= -0.171311 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004191 tlogG= -0.024131 logG= -0.028322 Density= 0.212093 ETOT(band)= -0.234566 trlgG= -0.293716 logG= -0.028322 TDE= -0.171059 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004323 tlogG= -0.023740 logG= -0.028063 Density= 0.213014 ETOT(band)= -0.233769 trlgG= -0.291787 logG= -0.028063 TDE= -0.170861 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004379 tlogG= -0.023586 logG= -0.027965 Density= 0.212543 ETOT(band)= -0.234181 trlgG= -0.292764 logG= -0.027965 TDE= -0.170776 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001158 tlogG= -0.005170 logG= -0.006329 Density= 0.062522 ETOT(band)= -0.067595 trlgG= -0.084211 logG= -0.006329 TDE= -0.042379 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004858 tlogG= -0.022903 logG= -0.027761 Density= 0.214737 ETOT(band)= -0.232567 trlgG= -0.289700 logG= -0.027761 TDE= -0.170512 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001244 tlogG= -0.005856 logG= -0.007100 Density= 0.080628 ETOT(band)= -0.087673 trlgG= -0.110169 logG= -0.007100 TDE= -0.042832 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001210 tlogG= -0.005619 logG= -0.006829 Density= 0.080817 ETOT(band)= -0.087028 trlgG= -0.108610 logG= -0.006829 TDE= -0.042690 logGD-logG0= -0.001249 tlogG= -0.005939 logG= -0.007188 Density= 0.080813 ETOT(band)= -0.087706 trlgG= -0.110366 logG= -0.007188 TDE= -0.042886 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001535 tlogG= -0.007588 logG= -0.009123 Density= 0.071476 ETOT(band)= -0.077404 trlgG= -0.096159 logG= -0.009123 TDE= -0.056765 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001247 tlogG= -0.005984 logG= -0.007231 Density= 0.081044 ETOT(band)= -0.087606 trlgG= -0.110417 logG= -0.007231 TDE= -0.042916 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.024003 logG= -0.029112 Density= 0.215637 ETOT(band)= -0.234012 trlgG= -0.294832 logG= -0.029112 TDE= -0.171660 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001396 tlogG= -0.007966 logG= -0.009362 Density= 0.070841 ETOT(band)= -0.078012 trlgG= -0.097462 logG= -0.009362 TDE= -0.056989 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.024001 logG= -0.029074 Density= 0.216311 ETOT(band)= -0.233487 trlgG= -0.294348 logG= -0.029074 TDE= -0.171677 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023801 logG= -0.028944 Density= 0.215282 ETOT(band)= -0.233922 trlgG= -0.294176 logG= -0.028944 TDE= -0.171507 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.023843 logG= -0.028808 Density= 0.215445 ETOT(band)= -0.233916 trlgG= -0.294283 logG= -0.028808 TDE= -0.171196 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023479 logG= -0.028622 Density= 0.215161 ETOT(band)= -0.233488 trlgG= -0.292914 logG= -0.028622 TDE= -0.171250 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004661 tlogG= -0.024006 logG= -0.028667 Density= 0.321477 ETOT(band)= -0.351362 trlgG= -0.441358 logG= -0.028667 TDE= -0.171306 logGD-logG0= -0.009957 tlogG= -0.045624 logG= -0.055581 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323969 ETOT(band)= -0.348178 trlgG= -0.434970 logG= -0.055581 TDE= -0.341617 logGD-logG0= -0.004966 tlogG= -0.023957 logG= -0.028923 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214280 ETOT(band)= -0.234264 trlgG= -0.293929 logG= -0.028923 TDE= -0.171144 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.022438 logG= -0.027445 Density= 0.216321 ETOT(band)= -0.231437 trlgG= -0.288602 logG= -0.027445 TDE= -0.170646 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.024124 logG= -0.029327 Density= 0.215670 ETOT(band)= -0.234168 trlgG= -0.295248 logG= -0.029327 TDE= -0.171693 logGD-logG0= -0.010176 tlogG= -0.047789 logG= -0.057965 logGD-logG0= -0.004907 tlogG= -0.024157 logG= -0.029063 Density= 0.214685 ETOT(band)= -0.234332 trlgG= -0.294540 logG= -0.029063 TDE= -0.171317 Density= 0.324283 ETOT(band)= -0.350137 trlgG= -0.441022 logG= -0.057965 TDE= -0.343193 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.024162 logG= -0.029094 Density= 0.322359 ETOT(band)= -0.351465 trlgG= -0.442035 logG= -0.029094 TDE= -0.171311 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.023416 logG= -0.028510 logGD-logG0= -0.005066 tlogG= -0.023958 logG= -0.029024 logGD-logG0= -0.009461 tlogG= -0.046603 logG= -0.056064 Density= 0.216151 ETOT(band)= -0.232808 trlgG= -0.292205 logG= -0.028510 TDE= -0.171269 Density= 0.322621 ETOT(band)= -0.349258 trlgG= -0.436413 logG= -0.056064 TDE= -0.341769 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216345 ETOT(band)= -0.233382 trlgG= -0.294115 logG= -0.029024 TDE= -0.171650 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.022968 logG= -0.028035 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216177 ETOT(band)= -0.232235 trlgG= -0.290589 logG= -0.028035 TDE= -0.170981 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.023242 logG= -0.028162 Density= 0.321613 ETOT(band)= -0.350819 trlgG= -0.439634 logG= -0.028162 TDE= -0.170936 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010223 tlogG= -0.047238 logG= -0.057461 Density= 0.324062 ETOT(band)= -0.349773 trlgG= -0.439676 logG= -0.057461 TDE= -0.342801 logGD-logG0= -0.004494 tlogG= -0.023889 logG= -0.028383 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010466 tlogG= -0.048040 logG= -0.058506 Density= 0.213211 ETOT(band)= -0.234042 trlgG= -0.292512 logG= -0.028383 TDE= -0.170863 Density= 0.323172 ETOT(band)= -0.351222 trlgG= -0.442380 logG= -0.058506 TDE= -0.343189 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004572 tlogG= -0.023367 logG= -0.027939 Density= 0.321545 ETOT(band)= -0.350314 trlgG= -0.438781 logG= -0.027939 TDE= -0.170981 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010223 tlogG= -0.046415 logG= -0.056638 logGD-logG0= -0.005251 tlogG= -0.023900 logG= -0.029151 Density= 0.323924 ETOT(band)= -0.349120 trlgG= -0.437591 logG= -0.056638 TDE= -0.342242 Density= 0.215597 ETOT(band)= -0.233914 trlgG= -0.294560 logG= -0.029151 TDE= -0.171516 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001544 tlogG= -0.006873 logG= -0.008417 Density= 0.040841 ETOT(band)= -0.042699 trlgG= -0.052794 logG= -0.008417 TDE= -0.056488 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005299 tlogG= -0.023686 logG= -0.028986 Density= 0.215356 ETOT(band)= -0.233769 trlgG= -0.293863 logG= -0.028986 TDE= -0.171339 logGD-logG0= -0.005236 tlogG= -0.023960 logG= -0.029195 Density= 0.323589 ETOT(band)= -0.350889 trlgG= -0.442119 logG= -0.029195 TDE= -0.171565 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023191 logG= -0.028253 Density= 0.214810 ETOT(band)= -0.233119 trlgG= -0.291232 logG= -0.028253 TDE= -0.170701 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009418 tlogG= -0.047840 logG= -0.057258 Density= 0.427912 ETOT(band)= -0.468501 trlgG= -0.587878 logG= -0.057258 TDE= -0.342428 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008740 tlogG= -0.048094 logG= -0.056834 Density= 0.425386 ETOT(band)= -0.468713 trlgG= -0.586507 logG= -0.056834 TDE= -0.341940 logGD-logG0= -0.009921 tlogG= -0.048148 logG= -0.058069 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429186 ETOT(band)= -0.468599 trlgG= -0.588643 logG= -0.058069 TDE= -0.342473 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009280 tlogG= -0.046607 logG= -0.055887 Density= 0.427969 ETOT(band)= -0.467198 trlgG= -0.584484 logG= -0.055887 TDE= -0.341796 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009230 tlogG= -0.046710 logG= -0.055940 Density= 0.427760 ETOT(band)= -0.466478 trlgG= -0.581880 logG= -0.055940 TDE= -0.341382 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010267 tlogG= -0.048067 logG= -0.058334 Density= 0.430036 ETOT(band)= -0.468426 trlgG= -0.589084 logG= -0.058334 TDE= -0.342819 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010034 tlogG= -0.047667 logG= -0.057700 Density= 0.428168 ETOT(band)= -0.468481 trlgG= -0.587209 logG= -0.057700 TDE= -0.342069 logGD-logG0= -0.010528 tlogG= -0.047697 logG= -0.058226 Density= 0.430992 ETOT(band)= -0.467781 trlgG= -0.588719 logG= -0.058226 TDE= -0.342942 logGD-logG0= -0.004795 tlogG= -0.021299 logG= -0.026094 logGD-logG0= -0.010436 tlogG= -0.047724 logG= -0.058160 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430648 ETOT(band)= -0.467842 trlgG= -0.588363 logG= -0.058160 TDE= -0.342835 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162616 ETOT(band)= -0.173096 trlgG= -0.215911 logG= -0.026094 TDE= -0.169959 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.023763 logG= -0.028849 Density= 0.216233 ETOT(band)= -0.233186 trlgG= -0.293412 logG= -0.028849 TDE= -0.171508 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009434 tlogG= -0.047644 logG= -0.057079 Density= 0.426535 ETOT(band)= -0.468728 trlgG= -0.587024 logG= -0.057079 TDE= -0.341961 logGD-logG0= -0.009594 tlogG= -0.047852 logG= -0.057446 Density= 0.429020 ETOT(band)= -0.468266 trlgG= -0.587839 logG= -0.057446 TDE= -0.342413 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.021204 logG= -0.026040 logGD-logG0= -0.010452 tlogG= -0.048023 logG= -0.058475 Density= 0.216296 ETOT(band)= -0.230193 trlgG= -0.285533 logG= -0.026040 TDE= -0.169878 logGD-logG0= -0.009388 tlogG= -0.047764 logG= -0.057152 Density= 0.431235 ETOT(band)= -0.468062 trlgG= -0.589712 logG= -0.058475 TDE= -0.343207 Density= 0.427042 ETOT(band)= -0.468272 trlgG= -0.585870 logG= -0.057152 TDE= -0.341662 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010056 tlogG= -0.048219 logG= -0.058275 Density= 0.429929 ETOT(band)= -0.468597 trlgG= -0.589413 logG= -0.058275 TDE= -0.342694 logGD-logG0= -0.010091 tlogG= -0.047955 logG= -0.058046 Density= 0.429089 ETOT(band)= -0.468562 trlgG= -0.588295 logG= -0.058046 TDE= -0.342318 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.046399 logG= -0.056109 Density= 0.429412 ETOT(band)= -0.465892 trlgG= -0.581540 logG= -0.056109 TDE= -0.341491 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010095 tlogG= -0.046928 logG= -0.057023 Density= 0.429766 ETOT(band)= -0.466802 trlgG= -0.584243 logG= -0.057023 TDE= -0.341786 logGD-logG0= -0.010495 tlogG= -0.047264 logG= -0.057759 Density= 0.430374 ETOT(band)= -0.467421 trlgG= -0.586892 logG= -0.057759 TDE= -0.342451 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009775 tlogG= -0.047559 logG= -0.057334 Density= 0.428485 ETOT(band)= -0.467823 trlgG= -0.586243 logG= -0.057334 TDE= -0.342113 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081543 ETOT(band)= -0.085740 trlgG= -0.106205 logG= -0.006483 TDE= -0.042480 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010019 tlogG= -0.047567 logG= -0.057586 Density= 0.429899 ETOT(band)= -0.467447 trlgG= -0.586173 logG= -0.057586 TDE= -0.342231 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.022326 logG= -0.027049 Density= 0.322787 ETOT(band)= -0.348226 trlgG= -0.434023 logG= -0.027049 TDE= -0.170328 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081182 ETOT(band)= -0.086412 trlgG= -0.107368 logG= -0.006664 TDE= -0.042592 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009746 tlogG= -0.044618 logG= -0.054364 Density= 0.324211 ETOT(band)= -0.346907 trlgG= -0.431955 logG= -0.054364 TDE= -0.340937 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001656 tlogG= -0.007116 logG= -0.008772 Density= 0.072214 ETOT(band)= -0.076530 trlgG= -0.094839 logG= -0.008772 TDE= -0.056649 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004836 tlogG= -0.022292 logG= -0.027128 Density= 0.214195 ETOT(band)= -0.232613 trlgG= -0.289458 logG= -0.027128 TDE= -0.170248 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004806 tlogG= -0.022473 logG= -0.027278 Density= 0.214963 ETOT(band)= -0.231829 trlgG= -0.288053 logG= -0.027278 TDE= -0.170261 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.022326 logG= -0.027008 Density= 0.214970 ETOT(band)= -0.232118 trlgG= -0.289098 logG= -0.027008 TDE= -0.170334 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004968 tlogG= -0.021878 logG= -0.026846 Density= 0.216579 ETOT(band)= -0.230438 trlgG= -0.286479 logG= -0.026846 TDE= -0.170305 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.021349 logG= -0.026227 Density= 0.216975 ETOT(band)= -0.229326 trlgG= -0.284270 logG= -0.026227 TDE= -0.169972 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005139 tlogG= -0.024082 logG= -0.029221 Density= 0.322985 ETOT(band)= -0.351432 trlgG= -0.442686 logG= -0.029221 TDE= -0.171507 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009592 tlogG= -0.044624 logG= -0.054215 Density= 0.431499 ETOT(band)= -0.462400 trlgG= -0.574740 logG= -0.054215 TDE= -0.340575 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.048935014117 eV TrLogG= -407.245645772511 eV Ratio to renormalize= 1.000293714722 rho-rho_expected=-0.006459826533 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964811880135233 0.940720168464547 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002272 tlogG= -0.011883 logG= -0.014155 Density= 0.053546 ETOT(band)= -0.058441 trlgG= -0.073264 logG= -0.014155 TDE= -0.085606 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004441 tlogG= -0.024044 logG= -0.028485 logGD-logG0= -0.004847 tlogG= -0.022167 logG= -0.027014 Density= 0.108334 ETOT(band)= -0.115500 trlgG= -0.143945 logG= -0.027014 TDE= -0.170540 Density= 0.106351 ETOT(band)= -0.117241 trlgG= -0.146798 logG= -0.028485 TDE= -0.170941 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023682 logG= -0.028864 Density= 0.107200 ETOT(band)= -0.117081 trlgG= -0.146846 logG= -0.028864 TDE= -0.171030 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.023215 logG= -0.028204 Density= 0.108170 ETOT(band)= -0.116273 trlgG= -0.145858 logG= -0.028204 TDE= -0.171182 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023686 logG= -0.028289 Density= 0.106942 ETOT(band)= -0.116924 trlgG= -0.146485 logG= -0.028289 TDE= -0.171117 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004775 tlogG= -0.024068 logG= -0.028844 Density= 0.107024 ETOT(band)= -0.117176 trlgG= -0.147161 logG= -0.028844 TDE= -0.171279 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.022851 logG= -0.027485 Density= 0.107265 ETOT(band)= -0.116316 trlgG= -0.145050 logG= -0.027485 TDE= -0.170645 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001451 tlogG= -0.007811 logG= -0.009262 Density= 0.035479 ETOT(band)= -0.038954 trlgG= -0.048608 logG= -0.009262 TDE= -0.056903 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.004542 ETOT(band)= -0.004736 trlgG= -0.005851 logG= -0.001044 TDE= -0.007056 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004244 tlogG= -0.023973 logG= -0.028217 Density= 0.106129 ETOT(band)= -0.117211 trlgG= -0.146679 logG= -0.028217 TDE= -0.170980 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.022988 logG= -0.027591 Density= 0.106837 ETOT(band)= -0.116573 trlgG= -0.145205 logG= -0.027591 TDE= -0.170482 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002550 tlogG= -0.012031 logG= -0.014581 logGD-logG0= -0.002367 tlogG= -0.012082 logG= -0.014449 Density= 0.053569 ETOT(band)= -0.058585 trlgG= -0.073626 logG= -0.014449 TDE= -0.085685 Density= 0.053749 ETOT(band)= -0.058572 trlgG= -0.073683 logG= -0.014581 TDE= -0.085700 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 Density= 0.035833 ETOT(band)= -0.038602 trlgG= -0.047908 logG= -0.008958 TDE= -0.056682 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001370 tlogG= -0.008044 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039107 trlgG= -0.048974 logG= -0.009414 TDE= -0.057027 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002504 tlogG= -0.011984 logG= -0.014488 Density= 0.054126 ETOT(band)= -0.058330 trlgG= -0.073543 logG= -0.014488 TDE= -0.085839 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002279 tlogG= -0.011447 logG= -0.013726 Density= 0.053721 ETOT(band)= -0.058109 trlgG= -0.072498 logG= -0.013726 TDE= -0.085356 logGD-logG0= -0.005028 tlogG= -0.023950 logG= -0.028978 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002573 tlogG= -0.011988 logG= -0.014561 Density= 0.053970 ETOT(band)= -0.058453 trlgG= -0.073665 logG= -0.014561 TDE= -0.085811 Density= 0.108205 ETOT(band)= -0.116685 trlgG= -0.147090 logG= -0.028978 TDE= -0.171658 logGD-logG0= -0.004217 tlogG= -0.024051 logG= -0.028268 Density= 0.106077 ETOT(band)= -0.117255 trlgG= -0.146793 logG= -0.028268 TDE= -0.171017 logGD-logG0= -0.005041 tlogG= -0.023763 logG= -0.028805 logGD-logG0= -0.005175 tlogG= -0.024068 logG= -0.029243 Density= 0.108154 ETOT(band)= -0.116611 trlgG= -0.146812 logG= -0.028805 TDE= -0.171528 Density= 0.107615 ETOT(band)= -0.117144 trlgG= -0.147512 logG= -0.029243 TDE= -0.171522 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022455 logG= -0.027384 logGD-logG0= -0.005037 tlogG= -0.023430 logG= -0.028467 Density= 0.108106 ETOT(band)= -0.116450 trlgG= -0.146277 logG= -0.028467 TDE= -0.171306 logGD-logG0= -0.004725 tlogG= -0.023686 logG= -0.028411 Density= 0.108178 ETOT(band)= -0.115807 trlgG= -0.144554 logG= -0.027384 TDE= -0.170701 Density= 0.107348 ETOT(band)= -0.116801 trlgG= -0.146391 logG= -0.028411 TDE= -0.171101 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024091 logG= -0.028979 logGD-logG0= -0.004517 tlogG= -0.023204 logG= -0.027721 Density= 0.107350 ETOT(band)= -0.117111 trlgG= -0.147132 logG= -0.028979 TDE= -0.171275 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004997 tlogG= -0.022981 logG= -0.027978 Density= 0.106700 ETOT(band)= -0.116706 trlgG= -0.145468 logG= -0.027721 TDE= -0.170548 Density= 0.108110 ETOT(band)= -0.116180 trlgG= -0.145502 logG= -0.027978 TDE= -0.171023 logGD-logG0= -0.005208 tlogG= -0.023898 logG= -0.029106 logGD-logG0= -0.005019 tlogG= -0.023605 logG= -0.028623 Density= 0.108180 ETOT(band)= -0.116495 trlgG= -0.146521 logG= -0.028623 TDE= -0.171430 Density= 0.107725 ETOT(band)= -0.117009 trlgG= -0.147295 logG= -0.029106 TDE= -0.171497 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.023871 logG= -0.028886 Density= 0.108226 ETOT(band)= -0.116621 trlgG= -0.146941 logG= -0.028886 TDE= -0.171610 logGD-logG0= -0.004896 tlogG= -0.023639 logG= -0.028535 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106945 ETOT(band)= -0.117012 trlgG= -0.146297 logG= -0.028535 TDE= -0.170684 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024135 logG= -0.029347 Density= 0.107785 ETOT(band)= -0.117138 trlgG= -0.147700 logG= -0.029347 TDE= -0.171690 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004576 tlogG= -0.023666 logG= -0.028242 logGD-logG0= -0.004925 tlogG= -0.022732 logG= -0.027656 logGD-logG0= -0.004758 tlogG= -0.022847 logG= -0.027605 Density= 0.108224 ETOT(band)= -0.115943 trlgG= -0.144990 logG= -0.027656 TDE= -0.170888 Density= 0.107719 ETOT(band)= -0.116167 trlgG= -0.144921 logG= -0.027605 TDE= -0.170620 logGD-logG0= -0.004906 tlogG= -0.022406 logG= -0.027313 Density= 0.107605 ETOT(band)= -0.116040 trlgG= -0.144438 logG= -0.027313 TDE= -0.170373 Density= 0.106561 ETOT(band)= -0.117045 trlgG= -0.146384 logG= -0.028242 TDE= -0.170873 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004631 tlogG= -0.023498 logG= -0.028128 Density= 0.106738 ETOT(band)= -0.116896 trlgG= -0.145951 logG= -0.028128 TDE= -0.170642 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.022872 logG= -0.027879 logGD-logG0= -0.004714 tlogG= -0.020986 logG= -0.025699 Density= 0.108688 ETOT(band)= -0.114359 trlgG= -0.141654 logG= -0.025699 TDE= -0.169739 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107587 ETOT(band)= -0.116373 trlgG= -0.145335 logG= -0.027879 TDE= -0.170695 logGD-logG0= -0.005124 tlogG= -0.023965 logG= -0.029089 Density= 0.107415 ETOT(band)= -0.117132 trlgG= -0.147239 logG= -0.029089 TDE= -0.171304 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004802 tlogG= -0.023888 logG= -0.028691 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106722 ETOT(band)= -0.117198 trlgG= -0.146910 logG= -0.028691 TDE= -0.171030 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023192 logG= -0.028390 Density= 0.107655 ETOT(band)= -0.116620 trlgG= -0.146144 logG= -0.028390 TDE= -0.171027 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002348 tlogG= -0.010424 logG= -0.012772 Density= 0.054367 ETOT(band)= -0.057106 trlgG= -0.070687 logG= -0.012772 TDE= -0.084818 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.021816 logG= -0.026777 Density= 0.107759 ETOT(band)= -0.115610 trlgG= -0.143560 logG= -0.026777 TDE= -0.170108 logGD-logG0= -0.005165 tlogG= -0.023871 logG= -0.029036 logGD-logG0= -0.005203 tlogG= -0.023580 logG= -0.028783 Density= 0.107773 ETOT(band)= -0.116780 trlgG= -0.146773 logG= -0.028783 TDE= -0.171321 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107890 ETOT(band)= -0.116875 trlgG= -0.147187 logG= -0.029036 TDE= -0.171540 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009259 tlogG= -0.045758 logG= -0.055016 Density= 0.214958 ETOT(band)= -0.232462 trlgG= -0.289999 logG= -0.055016 TDE= -0.341354 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.024059 logG= -0.029213 Density= 0.107922 ETOT(band)= -0.116981 trlgG= -0.147484 logG= -0.029213 TDE= -0.171675 logGD-logG0= -0.009573 tlogG= -0.048242 logG= -0.057815 Density= 0.214340 ETOT(band)= -0.234308 trlgG= -0.294395 logG= -0.057815 TDE= -0.342646 logGD-logG0= -0.010296 tlogG= -0.047744 logG= -0.058039 logGD-logG0= -0.009439 tlogG= -0.047159 logG= -0.056598 Density= 0.213699 ETOT(band)= -0.233908 trlgG= -0.292825 logG= -0.056598 TDE= -0.341976 logGD-logG0= -0.009719 tlogG= -0.047900 logG= -0.057618 Density= 0.213904 ETOT(band)= -0.234350 trlgG= -0.294087 logG= -0.057618 TDE= -0.342319 Density= 0.214699 ETOT(band)= -0.234227 trlgG= -0.294233 logG= -0.058039 TDE= -0.342437 logGD-logG0= -0.009606 tlogG= -0.047148 logG= -0.056754 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213710 ETOT(band)= -0.233951 trlgG= -0.292616 logG= -0.056754 TDE= -0.341616 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009211 tlogG= -0.047446 logG= -0.056658 Density= 0.214248 ETOT(band)= -0.233733 trlgG= -0.292950 logG= -0.056658 TDE= -0.342314 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.021693 logG= -0.026594 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009333 tlogG= -0.047924 logG= -0.057257 logGD-logG0= -0.008901 tlogG= -0.047628 logG= -0.056529 Density= 0.212851 ETOT(band)= -0.234215 trlgG= -0.292899 logG= -0.056529 TDE= -0.341699 logGD-logG0= -0.010100 tlogG= -0.047975 logG= -0.058075 Density= 0.107904 ETOT(band)= -0.115416 trlgG= -0.143249 logG= -0.026594 TDE= -0.170051 Density= 0.213202 ETOT(band)= -0.234421 trlgG= -0.293545 logG= -0.057257 TDE= -0.341790 Density= 0.215018 ETOT(band)= -0.234133 trlgG= -0.294325 logG= -0.058075 TDE= -0.342651 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.048011 logG= -0.058344 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215052 ETOT(band)= -0.234269 trlgG= -0.294769 logG= -0.058344 TDE= -0.342844 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001588 tlogG= -0.006990 logG= -0.008578 logGD-logG0= -0.010251 tlogG= -0.048078 logG= -0.058328 Density= 0.036188 ETOT(band)= -0.038150 trlgG= -0.047244 logG= -0.008578 TDE= -0.056573 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215015 ETOT(band)= -0.234278 trlgG= -0.294741 logG= -0.058328 TDE= -0.342813 logGD-logG0= -0.009644 tlogG= -0.045646 logG= -0.055290 Density= 0.215091 ETOT(band)= -0.232536 trlgG= -0.289989 logG= -0.055290 TDE= -0.341137 logGD-logG0= -0.009962 tlogG= -0.047656 logG= -0.057619 Density= 0.213885 ETOT(band)= -0.234337 trlgG= -0.293839 logG= -0.057619 TDE= -0.342061 logGD-logG0= -0.010160 tlogG= -0.047784 logG= -0.057944 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010399 tlogG= -0.046872 logG= -0.057271 Density= 0.215376 ETOT(band)= -0.233485 trlgG= -0.293067 logG= -0.057271 TDE= -0.342375 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214597 ETOT(band)= -0.234222 trlgG= -0.294064 logG= -0.057944 TDE= -0.342314 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010381 tlogG= -0.047531 logG= -0.057911 Density= 0.215649 ETOT(band)= -0.233718 trlgG= -0.294107 logG= -0.057911 TDE= -0.342909 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009843 tlogG= -0.048027 logG= -0.057870 Density= 0.214472 ETOT(band)= -0.234253 trlgG= -0.294142 logG= -0.057870 TDE= -0.342404 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.047302 logG= -0.057494 Density= 0.214199 ETOT(band)= -0.234126 trlgG= -0.293315 logG= -0.057494 TDE= -0.341818 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010447 tlogG= -0.048140 logG= -0.058587 logGD-logG0= -0.009959 tlogG= -0.046407 logG= -0.056366 Density= 0.215371 ETOT(band)= -0.234292 trlgG= -0.295204 logG= -0.058587 TDE= -0.343193 logGD-logG0= -0.009538 tlogG= -0.045589 logG= -0.055127 logGD-logG0= -0.010306 tlogG= -0.047944 logG= -0.058249 Density= 0.215159 ETOT(band)= -0.233097 trlgG= -0.291625 logG= -0.056366 TDE= -0.341731 Density= 0.214298 ETOT(band)= -0.232818 trlgG= -0.290182 logG= -0.055127 TDE= -0.341100 Density= 0.215847 ETOT(band)= -0.233833 trlgG= -0.294668 logG= -0.058249 TDE= -0.343230 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010357 tlogG= -0.047414 logG= -0.057771 logGD-logG0= -0.002409 tlogG= -0.010840 logG= -0.013248 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215415 ETOT(band)= -0.233761 trlgG= -0.293869 logG= -0.057771 TDE= -0.342695 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054050 ETOT(band)= -0.057626 trlgG= -0.071537 logG= -0.013248 TDE= -0.085035 logGD-logG0= -0.010361 tlogG= -0.047892 logG= -0.058253 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215718 ETOT(band)= -0.233907 trlgG= -0.294671 logG= -0.058253 TDE= -0.343166 logGD-logG0= -0.009568 tlogG= -0.047222 logG= -0.056790 Density= 0.214415 ETOT(band)= -0.233692 trlgG= -0.292722 logG= -0.056790 TDE= -0.342036 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009870 tlogG= -0.047147 logG= -0.057018 Density= 0.215095 ETOT(band)= -0.233499 trlgG= -0.292644 logG= -0.057018 TDE= -0.342066 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.021872 logG= -0.026753 Density= 0.108298 ETOT(band)= -0.115317 trlgG= -0.143495 logG= -0.026753 TDE= -0.170333 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004795 tlogG= -0.021561 logG= -0.026356 Density= 0.108490 ETOT(band)= -0.114949 trlgG= -0.142813 logG= -0.026356 TDE= -0.170143 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009797 tlogG= -0.043385 logG= -0.053182 Density= 0.216225 ETOT(band)= -0.230619 trlgG= -0.286471 logG= -0.053182 TDE= -0.340288 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005179 tlogG= -0.024088 logG= -0.029268 Density= 0.107862 ETOT(band)= -0.117049 trlgG= -0.147573 logG= -0.029268 TDE= -0.171681 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005747 logG= -0.006978 Density= 0.080614 ETOT(band)= -0.087457 trlgG= -0.109612 logG= -0.006978 TDE= -0.042766 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.023956 logG= -0.028923 Density= 0.214279 ETOT(band)= -0.234259 trlgG= -0.293922 logG= -0.028923 TDE= -0.171141 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.022437 logG= -0.027445 Density= 0.216320 ETOT(band)= -0.231433 trlgG= -0.288596 logG= -0.027445 TDE= -0.170643 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004469 tlogG= -0.023970 logG= -0.028440 Density= 0.212734 ETOT(band)= -0.234452 trlgG= -0.293502 logG= -0.028440 TDE= -0.170908 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.023415 logG= -0.028509 Density= 0.216149 ETOT(band)= -0.232804 trlgG= -0.292199 logG= -0.028509 TDE= -0.171266 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004628 tlogG= -0.024006 logG= -0.028635 Density= 0.214058 ETOT(band)= -0.234253 trlgG= -0.294139 logG= -0.028635 TDE= -0.171308 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023370 logG= -0.027910 Density= 0.214119 ETOT(band)= -0.233540 trlgG= -0.292345 logG= -0.027910 TDE= -0.170986 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001396 tlogG= -0.007965 logG= -0.009362 Density= 0.070841 ETOT(band)= -0.078010 trlgG= -0.097460 logG= -0.009362 TDE= -0.056988 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.022325 logG= -0.027008 Density= 0.214968 ETOT(band)= -0.232114 trlgG= -0.289092 logG= -0.027008 TDE= -0.170331 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004379 tlogG= -0.023585 logG= -0.027964 Density= 0.212542 ETOT(band)= -0.234176 trlgG= -0.292758 logG= -0.027964 TDE= -0.170773 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001535 tlogG= -0.007588 logG= -0.009123 Density= 0.071475 ETOT(band)= -0.077403 trlgG= -0.096157 logG= -0.009123 TDE= -0.056763 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005939 logG= -0.007188 Density= 0.080812 ETOT(band)= -0.087704 trlgG= -0.110364 logG= -0.007188 TDE= -0.042886 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001245 tlogG= -0.005855 logG= -0.007100 Density= 0.080627 ETOT(band)= -0.087672 trlgG= -0.110167 logG= -0.007100 TDE= -0.042831 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001247 tlogG= -0.005984 logG= -0.007231 Density= 0.081043 ETOT(band)= -0.087605 trlgG= -0.110415 logG= -0.007231 TDE= -0.042916 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001544 tlogG= -0.006873 logG= -0.008417 Density= 0.040841 ETOT(band)= -0.042699 trlgG= -0.052793 logG= -0.008417 TDE= -0.056487 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004191 tlogG= -0.024131 logG= -0.028322 Density= 0.212092 ETOT(band)= -0.234561 trlgG= -0.293709 logG= -0.028322 TDE= -0.171056 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.022472 logG= -0.027278 logGD-logG0= -0.005110 tlogG= -0.024002 logG= -0.029112 Density= 0.215635 ETOT(band)= -0.234008 trlgG= -0.294826 logG= -0.029112 TDE= -0.171657 logGD-logG0= -0.001210 tlogG= -0.005619 logG= -0.006828 Density= 0.214962 ETOT(band)= -0.231824 trlgG= -0.288047 logG= -0.027278 TDE= -0.170258 Density= 0.080817 ETOT(band)= -0.087026 trlgG= -0.108608 logG= -0.006828 TDE= -0.042689 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004324 tlogG= -0.023739 logG= -0.028063 Density= 0.213013 ETOT(band)= -0.233764 trlgG= -0.291780 logG= -0.028063 TDE= -0.170858 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023888 logG= -0.028383 Density= 0.213210 ETOT(band)= -0.234037 trlgG= -0.292506 logG= -0.028383 TDE= -0.170860 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001159 tlogG= -0.005170 logG= -0.006329 Density= 0.062522 ETOT(band)= -0.067593 trlgG= -0.084209 logG= -0.006329 TDE= -0.042378 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004859 tlogG= -0.022902 logG= -0.027761 Density= 0.214735 ETOT(band)= -0.232562 trlgG= -0.289694 logG= -0.027761 TDE= -0.170509 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023800 logG= -0.028944 Density= 0.215281 ETOT(band)= -0.233917 trlgG= -0.294170 logG= -0.028944 TDE= -0.171504 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023478 logG= -0.028621 Density= 0.215159 ETOT(band)= -0.233484 trlgG= -0.292908 logG= -0.028621 TDE= -0.171247 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.024000 logG= -0.029074 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081542 ETOT(band)= -0.085739 trlgG= -0.106203 logG= -0.006483 TDE= -0.042480 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216309 ETOT(band)= -0.233483 trlgG= -0.294342 logG= -0.029074 TDE= -0.171674 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001656 tlogG= -0.007116 logG= -0.008772 Density= 0.072213 ETOT(band)= -0.076528 trlgG= -0.094837 logG= -0.008772 TDE= -0.056648 logGD-logG0= -0.004965 tlogG= -0.023842 logG= -0.028808 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215443 ETOT(band)= -0.233912 trlgG= -0.294277 logG= -0.028808 TDE= -0.171193 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.023957 logG= -0.029023 Density= 0.216343 ETOT(band)= -0.233378 trlgG= -0.294109 logG= -0.029023 TDE= -0.171647 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010177 tlogG= -0.047787 logG= -0.057964 logGD-logG0= -0.004810 tlogG= -0.023878 logG= -0.028688 Density= 0.324280 ETOT(band)= -0.350131 trlgG= -0.441013 logG= -0.057964 TDE= -0.343187 Density= 0.213721 ETOT(band)= -0.234179 trlgG= -0.293018 logG= -0.028688 TDE= -0.170872 logGD-logG0= -0.004878 tlogG= -0.021348 logG= -0.026226 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004836 tlogG= -0.022291 logG= -0.027127 logGD-logG0= -0.004661 tlogG= -0.024005 logG= -0.028666 Density= 0.214194 ETOT(band)= -0.232608 trlgG= -0.289451 logG= -0.027127 TDE= -0.170245 logGD-logG0= -0.004573 tlogG= -0.023366 logG= -0.027939 Density= 0.321543 ETOT(band)= -0.350307 trlgG= -0.438772 logG= -0.027939 TDE= -0.170978 logGD-logG0= -0.010467 tlogG= -0.048038 logG= -0.058505 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321474 ETOT(band)= -0.351355 trlgG= -0.441349 logG= -0.028666 TDE= -0.171303 Density= 0.323169 ETOT(band)= -0.351215 trlgG= -0.442371 logG= -0.058505 TDE= -0.343183 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216974 ETOT(band)= -0.229322 trlgG= -0.284265 logG= -0.026226 TDE= -0.169969 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005087 tlogG= -0.023762 logG= -0.028849 logGD-logG0= -0.005139 tlogG= -0.024081 logG= -0.029220 Density= 0.216231 ETOT(band)= -0.233182 trlgG= -0.293406 logG= -0.028849 TDE= -0.171505 Density= 0.322982 ETOT(band)= -0.351426 trlgG= -0.442676 logG= -0.029220 TDE= -0.171504 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.022967 logG= -0.028035 logGD-logG0= -0.004920 tlogG= -0.023241 logG= -0.028161 Density= 0.216175 ETOT(band)= -0.232231 trlgG= -0.290583 logG= -0.028035 TDE= -0.170978 Density= 0.321611 ETOT(band)= -0.350812 trlgG= -0.439624 logG= -0.028161 TDE= -0.170933 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.024161 logG= -0.029094 Density= 0.322356 ETOT(band)= -0.351459 trlgG= -0.442026 logG= -0.029094 TDE= -0.171308 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.023244 logG= -0.027916 Density= 0.213429 ETOT(band)= -0.233788 trlgG= -0.292239 logG= -0.027916 TDE= -0.170823 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.024156 logG= -0.029063 Density= 0.214683 ETOT(band)= -0.234328 trlgG= -0.294534 logG= -0.029063 TDE= -0.171314 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.021877 logG= -0.026845 Density= 0.216577 ETOT(band)= -0.230434 trlgG= -0.286473 logG= -0.026845 TDE= -0.170302 logGD-logG0= -0.009958 tlogG= -0.045622 logG= -0.055580 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323967 ETOT(band)= -0.348171 trlgG= -0.434962 logG= -0.055580 TDE= -0.341611 logGD-logG0= -0.005252 tlogG= -0.023899 logG= -0.029151 Density= 0.215595 ETOT(band)= -0.233910 trlgG= -0.294554 logG= -0.029151 TDE= -0.171513 logGD-logG0= -0.004723 tlogG= -0.023836 logG= -0.028560 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010224 tlogG= -0.047236 logG= -0.057460 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213505 ETOT(band)= -0.234320 trlgG= -0.293755 logG= -0.028560 TDE= -0.171127 Density= 0.324059 ETOT(band)= -0.349767 trlgG= -0.439667 logG= -0.057460 TDE= -0.342795 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009462 tlogG= -0.046602 logG= -0.056063 Density= 0.322619 ETOT(band)= -0.349252 trlgG= -0.436404 logG= -0.056063 TDE= -0.341763 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023685 logG= -0.028985 logGD-logG0= -0.004837 tlogG= -0.021203 logG= -0.026040 Density= 0.216294 ETOT(band)= -0.230188 trlgG= -0.285528 logG= -0.026040 TDE= -0.169876 Density= 0.215354 ETOT(band)= -0.233765 trlgG= -0.293857 logG= -0.028985 TDE= -0.171336 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023350 logG= -0.028678 logGD-logG0= -0.010224 tlogG= -0.046413 logG= -0.056638 Density= 0.323921 ETOT(band)= -0.349114 trlgG= -0.437582 logG= -0.056638 TDE= -0.342236 Density= 0.215050 ETOT(band)= -0.233511 trlgG= -0.292719 logG= -0.028678 TDE= -0.171042 logGD-logG0= -0.005062 tlogG= -0.023190 logG= -0.028252 Density= 0.214808 ETOT(band)= -0.233115 trlgG= -0.291226 logG= -0.028252 TDE= -0.170698 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.048146 logG= -0.058068 Density= 0.429183 ETOT(band)= -0.468590 trlgG= -0.588631 logG= -0.058068 TDE= -0.342467 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009418 tlogG= -0.047838 logG= -0.057257 Density= 0.427909 ETOT(band)= -0.468492 trlgG= -0.587865 logG= -0.057257 TDE= -0.342422 logGD-logG0= -0.005236 tlogG= -0.023959 logG= -0.029195 Density= 0.323586 ETOT(band)= -0.350883 trlgG= -0.442110 logG= -0.029195 TDE= -0.171562 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010035 tlogG= -0.047665 logG= -0.057699 Density= 0.428164 ETOT(band)= -0.468472 trlgG= -0.587197 logG= -0.057699 TDE= -0.342063 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010268 tlogG= -0.048066 logG= -0.058333 Density= 0.430032 ETOT(band)= -0.468417 trlgG= -0.589071 logG= -0.058333 TDE= -0.342813 logGD-logG0= -0.010056 tlogG= -0.048217 logG= -0.058274 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429925 ETOT(band)= -0.468588 trlgG= -0.589401 logG= -0.058274 TDE= -0.342688 logGD-logG0= -0.008741 tlogG= -0.048093 logG= -0.056833 Density= 0.425384 ETOT(band)= -0.468703 trlgG= -0.586494 logG= -0.056833 TDE= -0.341933 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.047695 logG= -0.058225 Density= 0.430988 ETOT(band)= -0.467773 trlgG= -0.588707 logG= -0.058225 TDE= -0.342935 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009281 tlogG= -0.046606 logG= -0.055886 logGD-logG0= -0.010091 tlogG= -0.047954 logG= -0.058045 Density= 0.429085 ETOT(band)= -0.468553 trlgG= -0.588282 logG= -0.058045 TDE= -0.342312 Density= 0.427966 ETOT(band)= -0.467189 trlgG= -0.584471 logG= -0.055886 TDE= -0.341790 logGD-logG0= -0.010437 tlogG= -0.047723 logG= -0.058159 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430644 ETOT(band)= -0.467834 trlgG= -0.588351 logG= -0.058159 TDE= -0.342829 logGD-logG0= -0.004796 tlogG= -0.021298 logG= -0.026094 Density= 0.162614 ETOT(band)= -0.173093 trlgG= -0.215907 logG= -0.026094 TDE= -0.169956 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009595 tlogG= -0.047850 logG= -0.057445 Density= 0.429016 ETOT(band)= -0.468257 trlgG= -0.587827 logG= -0.057445 TDE= -0.342407 logGD-logG0= -0.009388 tlogG= -0.047763 logG= -0.057151 Density= 0.427039 ETOT(band)= -0.468263 trlgG= -0.585857 logG= -0.057151 TDE= -0.341656 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009711 tlogG= -0.046398 logG= -0.056108 Density= 0.429409 ETOT(band)= -0.465883 trlgG= -0.581527 logG= -0.056108 TDE= -0.341485 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009435 tlogG= -0.047643 logG= -0.057078 Density= 0.426532 ETOT(band)= -0.468718 trlgG= -0.587011 logG= -0.057078 TDE= -0.341955 logGD-logG0= -0.010096 tlogG= -0.046926 logG= -0.057022 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429763 ETOT(band)= -0.466793 trlgG= -0.584230 logG= -0.057022 TDE= -0.341779 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.048021 logG= -0.058475 Density= 0.431231 ETOT(band)= -0.468054 trlgG= -0.589700 logG= -0.058475 TDE= -0.343200 logGD-logG0= -0.010495 tlogG= -0.047262 logG= -0.057758 Density= 0.430371 ETOT(band)= -0.467412 trlgG= -0.586880 logG= -0.057758 TDE= -0.342445 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009776 tlogG= -0.047557 logG= -0.057333 Density= 0.428482 ETOT(band)= -0.467814 trlgG= -0.586230 logG= -0.057333 TDE= -0.342107 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010020 tlogG= -0.047566 logG= -0.057585 Density= 0.429895 ETOT(band)= -0.467439 trlgG= -0.586161 logG= -0.057585 TDE= -0.342225 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.044617 logG= -0.054364 Density= 0.324209 ETOT(band)= -0.346901 trlgG= -0.431946 logG= -0.054364 TDE= -0.340931 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009230 tlogG= -0.046709 logG= -0.055939 Density= 0.427757 ETOT(band)= -0.466469 trlgG= -0.581867 logG= -0.055939 TDE= -0.341376 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081181 ETOT(band)= -0.086410 trlgG= -0.107366 logG= -0.006664 TDE= -0.042591 logGD-logG0= -0.004723 tlogG= -0.022325 logG= -0.027048 Density= 0.322785 ETOT(band)= -0.348219 trlgG= -0.434014 logG= -0.027048 TDE= -0.170325 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005204 tlogG= -0.024123 logG= -0.029327 Density= 0.215668 ETOT(band)= -0.234164 trlgG= -0.295242 logG= -0.029327 TDE= -0.171690 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009593 tlogG= -0.044622 logG= -0.054214 Density= 0.431496 ETOT(band)= -0.462392 trlgG= -0.574728 logG= -0.054214 TDE= -0.340570 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.042709648923 eV TrLogG= -407.235931398625 eV Ratio to renormalize= 1.000301503125 rho-rho_expected=-0.006631069461 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964837278126878 0.940755432583905 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002272 tlogG= -0.011884 logG= -0.014156 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.053546 ETOT(band)= -0.058443 trlgG= -0.073266 logG= -0.014156 TDE= -0.085607 Density= 0.004542 ETOT(band)= -0.004736 trlgG= -0.005852 logG= -0.001044 TDE= -0.007056 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002367 tlogG= -0.012082 logG= -0.014449 Density= 0.053569 ETOT(band)= -0.058586 trlgG= -0.073628 logG= -0.014449 TDE= -0.085687 logGD-logG0= -0.002550 tlogG= -0.012032 logG= -0.014581 Density= 0.053749 ETOT(band)= -0.058573 trlgG= -0.073685 logG= -0.014581 TDE= -0.085701 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002279 tlogG= -0.011448 logG= -0.013727 Density= 0.053722 ETOT(band)= -0.058110 trlgG= -0.072500 logG= -0.013727 TDE= -0.085358 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.008045 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039108 trlgG= -0.048975 logG= -0.009414 TDE= -0.057028 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002504 tlogG= -0.011984 logG= -0.014488 Density= 0.054127 ETOT(band)= -0.058331 trlgG= -0.073544 logG= -0.014488 TDE= -0.085841 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023431 logG= -0.028467 Density= 0.108107 ETOT(band)= -0.116452 trlgG= -0.146280 logG= -0.028467 TDE= -0.171309 logGD-logG0= -0.005041 tlogG= -0.023765 logG= -0.028805 Density= 0.108155 ETOT(band)= -0.116613 trlgG= -0.146816 logG= -0.028805 TDE= -0.171531 logGD-logG0= -0.004217 tlogG= -0.024051 logG= -0.028268 Density= 0.106078 ETOT(band)= -0.117258 trlgG= -0.146796 logG= -0.028268 TDE= -0.171021 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004244 tlogG= -0.023974 logG= -0.028218 Density= 0.106130 ETOT(band)= -0.117214 trlgG= -0.146682 logG= -0.028218 TDE= -0.170983 logGD-logG0= -0.004929 tlogG= -0.022456 logG= -0.027385 logGD-logG0= -0.005027 tlogG= -0.023951 logG= -0.028978 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.115810 trlgG= -0.144557 logG= -0.027385 TDE= -0.170704 Density= 0.108206 ETOT(band)= -0.116687 trlgG= -0.147094 logG= -0.028978 TDE= -0.171661 logGD-logG0= -0.004996 tlogG= -0.022982 logG= -0.027978 Density= 0.108111 ETOT(band)= -0.116183 trlgG= -0.145505 logG= -0.027978 TDE= -0.171026 logGD-logG0= -0.004441 tlogG= -0.024044 logG= -0.028486 Density= 0.106351 ETOT(band)= -0.117243 trlgG= -0.146802 logG= -0.028486 TDE= -0.170944 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.024069 logG= -0.029243 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107616 ETOT(band)= -0.117146 trlgG= -0.147515 logG= -0.029243 TDE= -0.171525 logGD-logG0= -0.004517 tlogG= -0.023205 logG= -0.027722 Density= 0.106701 ETOT(band)= -0.116708 trlgG= -0.145472 logG= -0.027722 TDE= -0.170551 logGD-logG0= -0.002573 tlogG= -0.011989 logG= -0.014561 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053971 ETOT(band)= -0.058454 trlgG= -0.073667 logG= -0.014561 TDE= -0.085813 logGD-logG0= -0.004846 tlogG= -0.022168 logG= -0.027014 logGD-logG0= -0.005018 tlogG= -0.023606 logG= -0.028624 Density= 0.108335 ETOT(band)= -0.115502 trlgG= -0.143948 logG= -0.027014 TDE= -0.170543 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108181 ETOT(band)= -0.116498 trlgG= -0.146524 logG= -0.028624 TDE= -0.171433 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023683 logG= -0.028864 Density= 0.107201 ETOT(band)= -0.117084 trlgG= -0.146849 logG= -0.028864 TDE= -0.171033 logGD-logG0= -0.004924 tlogG= -0.022733 logG= -0.027657 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023216 logG= -0.028204 Density= 0.108171 ETOT(band)= -0.116275 trlgG= -0.145861 logG= -0.028204 TDE= -0.171185 logGD-logG0= -0.005207 tlogG= -0.023899 logG= -0.029107 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107726 ETOT(band)= -0.117011 trlgG= -0.147298 logG= -0.029107 TDE= -0.171500 logGD-logG0= -0.005212 tlogG= -0.024136 logG= -0.029347 Density= 0.107786 ETOT(band)= -0.117140 trlgG= -0.147703 logG= -0.029347 TDE= -0.171694 logGD-logG0= -0.005015 tlogG= -0.023872 logG= -0.028887 Density= 0.108227 ETOT(band)= -0.116623 trlgG= -0.146944 logG= -0.028887 TDE= -0.171614 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023966 logG= -0.029090 Density= 0.107416 ETOT(band)= -0.117134 trlgG= -0.147243 logG= -0.029090 TDE= -0.171308 Density= 0.108225 ETOT(band)= -0.115946 trlgG= -0.144993 logG= -0.027657 TDE= -0.170891 logGD-logG0= -0.004906 tlogG= -0.022407 logG= -0.027313 Density= 0.107605 ETOT(band)= -0.116042 trlgG= -0.144441 logG= -0.027313 TDE= -0.170376 logGD-logG0= -0.005179 tlogG= -0.024089 logG= -0.029268 logGD-logG0= -0.004758 tlogG= -0.022848 logG= -0.027606 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.022989 logG= -0.027592 Density= 0.106838 ETOT(band)= -0.116576 trlgG= -0.145209 logG= -0.027592 TDE= -0.170485 Density= 0.107863 ETOT(band)= -0.117052 trlgG= -0.147577 logG= -0.029268 TDE= -0.171685 Density= 0.107720 ETOT(band)= -0.116170 trlgG= -0.144924 logG= -0.027606 TDE= -0.170623 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004576 tlogG= -0.023667 logG= -0.028243 logGD-logG0= -0.004630 tlogG= -0.023498 logG= -0.028129 Density= 0.106739 ETOT(band)= -0.116899 trlgG= -0.145954 logG= -0.028129 TDE= -0.170645 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023687 logG= -0.028412 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106562 ETOT(band)= -0.117047 trlgG= -0.146387 logG= -0.028243 TDE= -0.170877 Density= 0.107349 ETOT(band)= -0.116803 trlgG= -0.146394 logG= -0.028412 TDE= -0.171104 logGD-logG0= -0.005006 tlogG= -0.022873 logG= -0.027879 logGD-logG0= -0.004802 tlogG= -0.023889 logG= -0.028691 Density= 0.106723 ETOT(band)= -0.117200 trlgG= -0.146913 logG= -0.028691 TDE= -0.171034 logGD-logG0= -0.004888 tlogG= -0.024092 logG= -0.028980 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107351 ETOT(band)= -0.117114 trlgG= -0.147135 logG= -0.028980 TDE= -0.171278 Density= 0.107588 ETOT(band)= -0.116375 trlgG= -0.145338 logG= -0.027879 TDE= -0.170699 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.024061 logG= -0.029214 logGD-logG0= -0.004602 tlogG= -0.023687 logG= -0.028289 Density= 0.107923 ETOT(band)= -0.116983 trlgG= -0.147487 logG= -0.029214 TDE= -0.171679 Density= 0.106943 ETOT(band)= -0.116926 trlgG= -0.146489 logG= -0.028289 TDE= -0.171121 logGD-logG0= -0.004775 tlogG= -0.024069 logG= -0.028844 logGD-logG0= -0.005165 tlogG= -0.023872 logG= -0.029037 Density= 0.107891 ETOT(band)= -0.116877 trlgG= -0.147190 logG= -0.029037 TDE= -0.171544 Density= 0.107025 ETOT(band)= -0.117178 trlgG= -0.147165 logG= -0.028844 TDE= -0.171282 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.022852 logG= -0.027486 Density= 0.107266 ETOT(band)= -0.116319 trlgG= -0.145054 logG= -0.027486 TDE= -0.170649 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023581 logG= -0.028784 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107774 ETOT(band)= -0.116782 trlgG= -0.146776 logG= -0.028784 TDE= -0.171324 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023193 logG= -0.028391 logGD-logG0= -0.004896 tlogG= -0.023639 logG= -0.028535 Density= 0.106946 ETOT(band)= -0.117015 trlgG= -0.146300 logG= -0.028535 TDE= -0.170687 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107656 ETOT(band)= -0.116622 trlgG= -0.146147 logG= -0.028391 TDE= -0.171030 logGD-logG0= -0.008900 tlogG= -0.047630 logG= -0.056530 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212852 ETOT(band)= -0.234220 trlgG= -0.292906 logG= -0.056530 TDE= -0.341706 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009572 tlogG= -0.048244 logG= -0.057816 Density= 0.214342 ETOT(band)= -0.234313 trlgG= -0.294401 logG= -0.057816 TDE= -0.342653 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.047901 logG= -0.057619 logGD-logG0= -0.009537 tlogG= -0.045591 logG= -0.055128 logGD-logG0= -0.009258 tlogG= -0.045760 logG= -0.055017 Density= 0.214960 ETOT(band)= -0.232467 trlgG= -0.290005 logG= -0.055017 TDE= -0.341361 Density= 0.214300 ETOT(band)= -0.232823 trlgG= -0.290189 logG= -0.055128 TDE= -0.341107 logGD-logG0= -0.009438 tlogG= -0.047161 logG= -0.056599 Density= 0.213701 ETOT(band)= -0.233913 trlgG= -0.292832 logG= -0.056599 TDE= -0.341983 logGD-logG0= -0.009333 tlogG= -0.047926 logG= -0.057258 Density= 0.213906 ETOT(band)= -0.234355 trlgG= -0.294094 logG= -0.057619 TDE= -0.342326 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213204 ETOT(band)= -0.234426 trlgG= -0.293552 logG= -0.057258 TDE= -0.341797 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009211 tlogG= -0.047448 logG= -0.056658 logGD-logG0= -0.002348 tlogG= -0.010425 logG= -0.012772 Density= 0.054368 ETOT(band)= -0.057107 trlgG= -0.070688 logG= -0.012772 TDE= -0.084820 logGD-logG0= -0.010295 tlogG= -0.047746 logG= -0.058040 logGD-logG0= -0.009606 tlogG= -0.047149 logG= -0.056755 Density= 0.213712 ETOT(band)= -0.233956 trlgG= -0.292623 logG= -0.056755 TDE= -0.341623 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214701 ETOT(band)= -0.234232 trlgG= -0.294239 logG= -0.058040 TDE= -0.342444 logGD-logG0= -0.010100 tlogG= -0.047977 logG= -0.058076 Density= 0.214250 ETOT(band)= -0.233738 trlgG= -0.292957 logG= -0.056658 TDE= -0.342320 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215020 ETOT(band)= -0.234138 trlgG= -0.294332 logG= -0.058076 TDE= -0.342658 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 Density= 0.035834 ETOT(band)= -0.038602 trlgG= -0.047909 logG= -0.008958 TDE= -0.056683 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009643 tlogG= -0.045648 logG= -0.055291 logGD-logG0= -0.010250 tlogG= -0.048079 logG= -0.058329 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215018 ETOT(band)= -0.234283 trlgG= -0.294748 logG= -0.058329 TDE= -0.342820 logGD-logG0= -0.010332 tlogG= -0.048012 logG= -0.058345 logGD-logG0= -0.010160 tlogG= -0.047785 logG= -0.057945 Density= 0.214599 ETOT(band)= -0.234227 trlgG= -0.294071 logG= -0.057945 TDE= -0.342321 logGD-logG0= -0.001588 tlogG= -0.006991 logG= -0.008578 Density= 0.036189 ETOT(band)= -0.038150 trlgG= -0.047245 logG= -0.008578 TDE= -0.056574 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009842 tlogG= -0.048028 logG= -0.057871 Density= 0.214474 ETOT(band)= -0.234258 trlgG= -0.294148 logG= -0.057871 TDE= -0.342410 logGD-logG0= -0.010398 tlogG= -0.046874 logG= -0.057272 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215378 ETOT(band)= -0.233490 trlgG= -0.293074 logG= -0.057272 TDE= -0.342382 Density= 0.215055 ETOT(band)= -0.234274 trlgG= -0.294775 logG= -0.058345 TDE= -0.342850 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010380 tlogG= -0.047533 logG= -0.057912 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215652 ETOT(band)= -0.233723 trlgG= -0.294113 logG= -0.057912 TDE= -0.342916 logGD-logG0= -0.010191 tlogG= -0.047303 logG= -0.057495 Density= 0.214201 ETOT(band)= -0.234131 trlgG= -0.293322 logG= -0.057495 TDE= -0.341824 Density= 0.215093 ETOT(band)= -0.232541 trlgG= -0.289996 logG= -0.055291 TDE= -0.341143 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.047946 logG= -0.058250 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009962 tlogG= -0.047658 logG= -0.057620 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213887 ETOT(band)= -0.234342 trlgG= -0.293846 logG= -0.057620 TDE= -0.342068 Density= 0.215849 ETOT(band)= -0.233837 trlgG= -0.294674 logG= -0.058250 TDE= -0.343237 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010356 tlogG= -0.047416 logG= -0.057772 logGD-logG0= -0.010446 tlogG= -0.048142 logG= -0.058588 Density= 0.215417 ETOT(band)= -0.233766 trlgG= -0.293875 logG= -0.057772 TDE= -0.342702 logGD-logG0= -0.002408 tlogG= -0.010840 logG= -0.013249 Density= 0.054050 ETOT(band)= -0.057628 trlgG= -0.071538 logG= -0.013249 TDE= -0.085036 logGD-logG0= -0.009958 tlogG= -0.046409 logG= -0.056367 logGD-logG0= -0.010359 tlogG= -0.047895 logG= -0.058254 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215373 ETOT(band)= -0.234297 trlgG= -0.295210 logG= -0.058588 TDE= -0.343200 Density= 0.215720 ETOT(band)= -0.233911 trlgG= -0.294678 logG= -0.058254 TDE= -0.343173 Density= 0.215161 ETOT(band)= -0.233102 trlgG= -0.291632 logG= -0.056367 TDE= -0.341737 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009870 tlogG= -0.047149 logG= -0.057019 Density= 0.215097 ETOT(band)= -0.233504 trlgG= -0.292650 logG= -0.057019 TDE= -0.342072 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009567 tlogG= -0.047224 logG= -0.056791 logGD-logG0= -0.004794 tlogG= -0.021562 logG= -0.026356 Density= 0.108491 ETOT(band)= -0.114951 trlgG= -0.142816 logG= -0.026356 TDE= -0.170146 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.021817 logG= -0.026777 Density= 0.107760 ETOT(band)= -0.115613 trlgG= -0.143563 logG= -0.026777 TDE= -0.170111 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004713 tlogG= -0.020986 logG= -0.025699 Density= 0.108689 ETOT(band)= -0.114361 trlgG= -0.141657 logG= -0.025699 TDE= -0.169742 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001451 tlogG= -0.007811 logG= -0.009262 Density= 0.035480 ETOT(band)= -0.038955 trlgG= -0.048609 logG= -0.009262 TDE= -0.056904 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214417 ETOT(band)= -0.233697 trlgG= -0.292728 logG= -0.056791 TDE= -0.342042 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004881 tlogG= -0.021873 logG= -0.026753 Density= 0.108299 ETOT(band)= -0.115319 trlgG= -0.143498 logG= -0.026753 TDE= -0.170336 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004900 tlogG= -0.021694 logG= -0.026594 Density= 0.107904 ETOT(band)= -0.115419 trlgG= -0.143252 logG= -0.026594 TDE= -0.170055 logGD-logG0= -0.009796 tlogG= -0.043387 logG= -0.053183 Density= 0.216227 ETOT(band)= -0.230623 trlgG= -0.286478 logG= -0.053183 TDE= -0.340294 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001230 tlogG= -0.005748 logG= -0.006978 Density= 0.080615 ETOT(band)= -0.087459 trlgG= -0.109615 logG= -0.006978 TDE= -0.042766 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001210 tlogG= -0.005619 logG= -0.006829 Density= 0.080817 ETOT(band)= -0.087028 trlgG= -0.108610 logG= -0.006829 TDE= -0.042690 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005939 logG= -0.007188 Density= 0.080813 ETOT(band)= -0.087706 trlgG= -0.110367 logG= -0.007188 TDE= -0.042886 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001247 tlogG= -0.005984 logG= -0.007231 Density= 0.081044 ETOT(band)= -0.087607 trlgG= -0.110417 logG= -0.007231 TDE= -0.042916 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001244 tlogG= -0.005856 logG= -0.007100 Density= 0.080628 ETOT(band)= -0.087673 trlgG= -0.110169 logG= -0.007100 TDE= -0.042832 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.024003 logG= -0.029112 Density= 0.215638 ETOT(band)= -0.234013 trlgG= -0.294833 logG= -0.029112 TDE= -0.171660 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.023957 logG= -0.028923 Density= 0.214280 ETOT(band)= -0.234264 trlgG= -0.293929 logG= -0.028923 TDE= -0.171145 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004469 tlogG= -0.023971 logG= -0.028440 logGD-logG0= -0.005067 tlogG= -0.022968 logG= -0.028035 Density= 0.216177 ETOT(band)= -0.232236 trlgG= -0.290589 logG= -0.028035 TDE= -0.170981 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212735 ETOT(band)= -0.234457 trlgG= -0.293509 logG= -0.028440 TDE= -0.170911 logGD-logG0= -0.005094 tlogG= -0.023416 logG= -0.028510 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216151 ETOT(band)= -0.232809 trlgG= -0.292206 logG= -0.028510 TDE= -0.171270 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.022438 logG= -0.027445 Density= 0.216322 ETOT(band)= -0.231438 trlgG= -0.288602 logG= -0.027445 TDE= -0.170646 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023801 logG= -0.028944 Density= 0.215283 ETOT(band)= -0.233922 trlgG= -0.294177 logG= -0.028944 TDE= -0.171507 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.024001 logG= -0.029074 Density= 0.216311 ETOT(band)= -0.233487 trlgG= -0.294349 logG= -0.029074 TDE= -0.171677 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.023843 logG= -0.028808 logGD-logG0= -0.004191 tlogG= -0.024132 logG= -0.028322 Density= 0.212093 ETOT(band)= -0.234567 trlgG= -0.293717 logG= -0.028322 TDE= -0.171060 logGD-logG0= -0.005143 tlogG= -0.023479 logG= -0.028622 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215446 ETOT(band)= -0.233916 trlgG= -0.294284 logG= -0.028808 TDE= -0.171196 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215161 ETOT(band)= -0.233489 trlgG= -0.292915 logG= -0.028622 TDE= -0.171250 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023837 logG= -0.028560 Density= 0.213507 ETOT(band)= -0.234325 trlgG= -0.293762 logG= -0.028560 TDE= -0.171131 logGD-logG0= -0.004671 tlogG= -0.023245 logG= -0.027916 Density= 0.213430 ETOT(band)= -0.233794 trlgG= -0.292246 logG= -0.027916 TDE= -0.170826 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004628 tlogG= -0.024007 logG= -0.028635 Density= 0.214059 ETOT(band)= -0.234258 trlgG= -0.294146 logG= -0.028635 TDE= -0.171312 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004323 tlogG= -0.023740 logG= -0.028063 Density= 0.213014 ETOT(band)= -0.233769 trlgG= -0.291787 logG= -0.028063 TDE= -0.170861 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004379 tlogG= -0.023586 logG= -0.027965 Density= 0.212543 ETOT(band)= -0.234181 trlgG= -0.292765 logG= -0.027965 TDE= -0.170776 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.024125 logG= -0.029327 logGD-logG0= -0.005062 tlogG= -0.023191 logG= -0.028253 Density= 0.214810 ETOT(band)= -0.233120 trlgG= -0.291233 logG= -0.028253 TDE= -0.170701 Density= 0.215671 ETOT(band)= -0.234169 trlgG= -0.295249 logG= -0.029327 TDE= -0.171693 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004572 tlogG= -0.023367 logG= -0.027939 Density= 0.321545 ETOT(band)= -0.350315 trlgG= -0.438782 logG= -0.027939 TDE= -0.170981 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.024162 logG= -0.029094 Density= 0.322359 ETOT(band)= -0.351466 trlgG= -0.442036 logG= -0.029094 TDE= -0.171312 logGD-logG0= -0.005086 tlogG= -0.023763 logG= -0.028849 logGD-logG0= -0.004540 tlogG= -0.023371 logG= -0.027911 Density= 0.216233 ETOT(band)= -0.233186 trlgG= -0.293412 logG= -0.028849 TDE= -0.171509 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214121 ETOT(band)= -0.233545 trlgG= -0.292352 logG= -0.027911 TDE= -0.170989 logGD-logG0= -0.005066 tlogG= -0.023958 logG= -0.029024 logGD-logG0= -0.001158 tlogG= -0.005170 logG= -0.006329 Density= 0.062522 ETOT(band)= -0.067595 trlgG= -0.084211 logG= -0.006329 TDE= -0.042379 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005327 tlogG= -0.023351 logG= -0.028678 Density= 0.215052 ETOT(band)= -0.233516 trlgG= -0.292726 logG= -0.028678 TDE= -0.171046 Density= 0.216345 ETOT(band)= -0.233383 trlgG= -0.294116 logG= -0.029024 TDE= -0.171650 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.024157 logG= -0.029063 logGD-logG0= -0.010223 tlogG= -0.047238 logG= -0.057461 Density= 0.214685 ETOT(band)= -0.234332 trlgG= -0.294541 logG= -0.029063 TDE= -0.171317 logGD-logG0= -0.004661 tlogG= -0.024006 logG= -0.028667 Density= 0.321477 ETOT(band)= -0.351363 trlgG= -0.441359 logG= -0.028667 TDE= -0.171307 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324063 ETOT(band)= -0.349774 trlgG= -0.439676 logG= -0.057461 TDE= -0.342801 logGD-logG0= -0.001544 tlogG= -0.006873 logG= -0.008417 Density= 0.040841 ETOT(band)= -0.042699 trlgG= -0.052794 logG= -0.008417 TDE= -0.056488 logGD-logG0= -0.010176 tlogG= -0.047789 logG= -0.057965 Density= 0.324283 ETOT(band)= -0.350138 trlgG= -0.441023 logG= -0.057965 TDE= -0.343194 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010466 tlogG= -0.048040 logG= -0.058506 logGD-logG0= -0.004494 tlogG= -0.023889 logG= -0.028383 Density= 0.213212 ETOT(band)= -0.234042 trlgG= -0.292512 logG= -0.028383 TDE= -0.170863 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323172 ETOT(band)= -0.351222 trlgG= -0.442381 logG= -0.058506 TDE= -0.343190 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009957 tlogG= -0.045624 logG= -0.055581 logGD-logG0= -0.005251 tlogG= -0.023901 logG= -0.029151 Density= 0.323970 ETOT(band)= -0.348178 trlgG= -0.434971 logG= -0.055581 TDE= -0.341617 Density= 0.215597 ETOT(band)= -0.233915 trlgG= -0.294560 logG= -0.029151 TDE= -0.171517 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023879 logG= -0.028689 Density= 0.213723 ETOT(band)= -0.234184 trlgG= -0.293025 logG= -0.028689 TDE= -0.170875 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010223 tlogG= -0.046415 logG= -0.056638 logGD-logG0= -0.005139 tlogG= -0.024082 logG= -0.029221 Density= 0.323924 ETOT(band)= -0.349120 trlgG= -0.437592 logG= -0.056638 TDE= -0.342243 Density= 0.322986 ETOT(band)= -0.351433 trlgG= -0.442686 logG= -0.029221 TDE= -0.171507 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.023242 logG= -0.028162 Density= 0.321614 ETOT(band)= -0.350819 trlgG= -0.439634 logG= -0.028162 TDE= -0.170936 logGD-logG0= -0.009461 tlogG= -0.046603 logG= -0.056064 Density= 0.322622 ETOT(band)= -0.349259 trlgG= -0.436414 logG= -0.056064 TDE= -0.341770 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.022903 logG= -0.027761 Density= 0.214737 ETOT(band)= -0.232567 trlgG= -0.289700 logG= -0.027761 TDE= -0.170512 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001535 tlogG= -0.007588 logG= -0.009123 logGD-logG0= -0.005236 tlogG= -0.023960 logG= -0.029195 logGD-logG0= -0.005299 tlogG= -0.023687 logG= -0.028986 Density= 0.215357 ETOT(band)= -0.233770 trlgG= -0.293864 logG= -0.028986 TDE= -0.171339 Density= 0.323589 ETOT(band)= -0.350890 trlgG= -0.442120 logG= -0.029195 TDE= -0.171565 logGD-logG0= -0.008740 tlogG= -0.048094 logG= -0.056834 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425387 ETOT(band)= -0.468714 trlgG= -0.586508 logG= -0.056834 TDE= -0.341940 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071476 ETOT(band)= -0.077404 trlgG= -0.096159 logG= -0.009123 TDE= -0.056765 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009417 tlogG= -0.047840 logG= -0.057258 Density= 0.427912 ETOT(band)= -0.468502 trlgG= -0.587879 logG= -0.057258 TDE= -0.342429 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009229 tlogG= -0.046711 logG= -0.055940 Density= 0.427760 ETOT(band)= -0.466479 trlgG= -0.581881 logG= -0.055940 TDE= -0.341383 logGD-logG0= -0.009921 tlogG= -0.048148 logG= -0.058069 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429187 ETOT(band)= -0.468600 trlgG= -0.588644 logG= -0.058069 TDE= -0.342474 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010034 tlogG= -0.047667 logG= -0.057700 logGD-logG0= -0.010436 tlogG= -0.047724 logG= -0.058160 Density= 0.428168 ETOT(band)= -0.468482 trlgG= -0.587210 logG= -0.057700 TDE= -0.342070 Density= 0.430648 ETOT(band)= -0.467843 trlgG= -0.588364 logG= -0.058160 TDE= -0.342836 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.021299 logG= -0.026094 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162616 ETOT(band)= -0.173097 trlgG= -0.215911 logG= -0.026094 TDE= -0.169959 logGD-logG0= -0.009280 tlogG= -0.046607 logG= -0.055887 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427969 ETOT(band)= -0.467199 trlgG= -0.584485 logG= -0.055887 TDE= -0.341797 logGD-logG0= -0.010091 tlogG= -0.047956 logG= -0.058046 Density= 0.429089 ETOT(band)= -0.468563 trlgG= -0.588296 logG= -0.058046 TDE= -0.342319 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010528 tlogG= -0.047698 logG= -0.058226 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081182 ETOT(band)= -0.086412 trlgG= -0.107368 logG= -0.006664 TDE= -0.042592 Density= 0.430992 ETOT(band)= -0.467782 trlgG= -0.588720 logG= -0.058226 TDE= -0.342942 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009434 tlogG= -0.047644 logG= -0.057079 logGD-logG0= -0.009594 tlogG= -0.047852 logG= -0.057446 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010267 tlogG= -0.048067 logG= -0.058334 Density= 0.430037 ETOT(band)= -0.468427 trlgG= -0.589085 logG= -0.058334 TDE= -0.342820 logGD-logG0= -0.010056 tlogG= -0.048219 logG= -0.058275 Density= 0.429929 ETOT(band)= -0.468598 trlgG= -0.589414 logG= -0.058275 TDE= -0.342695 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426535 ETOT(band)= -0.468729 trlgG= -0.587025 logG= -0.057079 TDE= -0.341962 Density= 0.429020 ETOT(band)= -0.468267 trlgG= -0.587840 logG= -0.057446 TDE= -0.342413 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.046400 logG= -0.056109 Density= 0.429412 ETOT(band)= -0.465892 trlgG= -0.581541 logG= -0.056109 TDE= -0.341491 logGD-logG0= -0.009388 tlogG= -0.047764 logG= -0.057152 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010452 tlogG= -0.048023 logG= -0.058475 Density= 0.431235 ETOT(band)= -0.468063 trlgG= -0.589713 logG= -0.058475 TDE= -0.343207 Density= 0.427042 ETOT(band)= -0.468273 trlgG= -0.585871 logG= -0.057152 TDE= -0.341663 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010095 tlogG= -0.046928 logG= -0.057023 logGD-logG0= -0.010495 tlogG= -0.047264 logG= -0.057759 Density= 0.429766 ETOT(band)= -0.466803 trlgG= -0.584243 logG= -0.057023 TDE= -0.341786 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430375 ETOT(band)= -0.467421 trlgG= -0.586893 logG= -0.057759 TDE= -0.342451 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081543 ETOT(band)= -0.085741 trlgG= -0.106205 logG= -0.006483 TDE= -0.042480 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010019 tlogG= -0.047567 logG= -0.057586 Density= 0.429899 ETOT(band)= -0.467448 trlgG= -0.586174 logG= -0.057586 TDE= -0.342232 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004682 tlogG= -0.022326 logG= -0.027008 Density= 0.214970 ETOT(band)= -0.232118 trlgG= -0.289099 logG= -0.027008 TDE= -0.170334 logGD-logG0= -0.009775 tlogG= -0.047559 logG= -0.057334 Density= 0.428486 ETOT(band)= -0.467824 trlgG= -0.586244 logG= -0.057334 TDE= -0.342113 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009746 tlogG= -0.044618 logG= -0.054364 Density= 0.324211 ETOT(band)= -0.346908 trlgG= -0.431955 logG= -0.054364 TDE= -0.340937 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.022326 logG= -0.027049 Density= 0.322788 ETOT(band)= -0.348227 trlgG= -0.434023 logG= -0.027049 TDE= -0.170328 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001656 tlogG= -0.007116 logG= -0.008772 Density= 0.072214 ETOT(band)= -0.076530 trlgG= -0.094839 logG= -0.008772 TDE= -0.056649 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004836 tlogG= -0.022292 logG= -0.027128 Density= 0.214196 ETOT(band)= -0.232613 trlgG= -0.289458 logG= -0.027128 TDE= -0.170248 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004805 tlogG= -0.022473 logG= -0.027278 Density= 0.214963 ETOT(band)= -0.231829 trlgG= -0.288053 logG= -0.027278 TDE= -0.170261 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001396 tlogG= -0.007966 logG= -0.009362 Density= 0.070841 ETOT(band)= -0.078012 trlgG= -0.097462 logG= -0.009362 TDE= -0.056989 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.021878 logG= -0.026846 Density= 0.216579 ETOT(band)= -0.230438 trlgG= -0.286479 logG= -0.026846 TDE= -0.170305 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.021349 logG= -0.026227 Density= 0.216976 ETOT(band)= -0.229326 trlgG= -0.284270 logG= -0.026227 TDE= -0.169972 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009592 tlogG= -0.044624 logG= -0.054215 Density= 0.431500 ETOT(band)= -0.462401 trlgG= -0.574741 logG= -0.054215 TDE= -0.340576 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004836 tlogG= -0.021204 logG= -0.026040 Density= 0.216296 ETOT(band)= -0.230193 trlgG= -0.285534 logG= -0.026040 TDE= -0.169879 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.049400098246 eV TrLogG= -407.246456042541 eV Ratio to renormalize= 1.000292645629 rho-rho_expected=-0.006436320269 nargs= 1 argi=dmft2.def 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964809964773759 0.940708820081771 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002273 tlogG= -0.011882 logG= -0.014155 Density= 0.053545 ETOT(band)= -0.058440 trlgG= -0.073262 logG= -0.014155 TDE= -0.085604 logGD-logG0= -0.002279 tlogG= -0.011447 logG= -0.013726 Density= 0.053721 ETOT(band)= -0.058107 trlgG= -0.072496 logG= -0.013726 TDE= -0.085354 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.004542 ETOT(band)= -0.004736 trlgG= -0.005851 logG= -0.001044 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002550 tlogG= -0.012031 logG= -0.014581 Density= 0.053748 ETOT(band)= -0.058570 trlgG= -0.073681 logG= -0.014581 TDE= -0.085698 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.023638 logG= -0.028534 logGD-logG0= -0.001451 tlogG= -0.007811 logG= -0.009261 Density= 0.035479 ETOT(band)= -0.038953 trlgG= -0.048606 logG= -0.009261 TDE= -0.056902 logGD-logG0= -0.005182 tlogG= -0.023681 logG= -0.028863 Density= 0.107199 ETOT(band)= -0.117078 trlgG= -0.146841 logG= -0.028863 TDE= -0.171025 logGD-logG0= -0.004925 tlogG= -0.022730 logG= -0.027656 Density= 0.108222 ETOT(band)= -0.115940 trlgG= -0.144986 logG= -0.027656 TDE= -0.170884 logGD-logG0= -0.004577 tlogG= -0.023665 logG= -0.028242 Density= 0.106560 ETOT(band)= -0.117041 trlgG= -0.146379 logG= -0.028242 TDE= -0.170869 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106944 ETOT(band)= -0.117009 trlgG= -0.146292 logG= -0.028534 TDE= -0.170679 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.008044 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039106 trlgG= -0.048972 logG= -0.009414 TDE= -0.057026 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002504 tlogG= -0.011983 logG= -0.014488 logGD-logG0= -0.005199 tlogG= -0.023191 logG= -0.028390 Density= 0.054125 ETOT(band)= -0.058329 trlgG= -0.073541 logG= -0.014488 TDE= -0.085837 Density= 0.107654 ETOT(band)= -0.116617 trlgG= -0.146140 logG= -0.028390 TDE= -0.171022 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022454 logG= -0.027384 logGD-logG0= -0.005038 tlogG= -0.023428 logG= -0.028467 Density= 0.108105 ETOT(band)= -0.116447 trlgG= -0.146273 logG= -0.028467 TDE= -0.171302 Density= 0.108176 ETOT(band)= -0.115804 trlgG= -0.144550 logG= -0.027384 TDE= -0.170697 logGD-logG0= -0.002368 tlogG= -0.012081 logG= -0.014449 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.023762 logG= -0.028804 Density= 0.108152 ETOT(band)= -0.116608 trlgG= -0.146808 logG= -0.028804 TDE= -0.171523 Density= 0.053568 ETOT(band)= -0.058583 trlgG= -0.073624 logG= -0.014449 TDE= -0.085683 logGD-logG0= -0.004998 tlogG= -0.022980 logG= -0.027977 Density= 0.108108 ETOT(band)= -0.116177 trlgG= -0.145498 logG= -0.027977 TDE= -0.171018 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004217 tlogG= -0.024049 logG= -0.028267 logGD-logG0= -0.002574 tlogG= -0.011987 logG= -0.014561 Density= 0.053969 ETOT(band)= -0.058451 trlgG= -0.073663 logG= -0.014561 TDE= -0.085809 logGD-logG0= -0.005029 tlogG= -0.023949 logG= -0.028978 Density= 0.108204 ETOT(band)= -0.116682 trlgG= -0.147086 logG= -0.028978 TDE= -0.171653 Density= 0.106076 ETOT(band)= -0.117252 trlgG= -0.146788 logG= -0.028267 TDE= -0.171013 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004244 tlogG= -0.023972 logG= -0.028217 logGD-logG0= -0.004848 tlogG= -0.022166 logG= -0.027013 Density= 0.106129 ETOT(band)= -0.117207 trlgG= -0.146674 logG= -0.028217 TDE= -0.170975 logGD-logG0= -0.005175 tlogG= -0.024067 logG= -0.029242 logGD-logG0= -0.004442 tlogG= -0.024043 logG= -0.028484 Density= 0.106350 ETOT(band)= -0.117237 trlgG= -0.146794 logG= -0.028484 TDE= -0.170936 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108333 ETOT(band)= -0.115497 trlgG= -0.143941 logG= -0.027013 TDE= -0.170536 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107614 ETOT(band)= -0.117141 trlgG= -0.147507 logG= -0.029242 TDE= -0.171518 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004759 tlogG= -0.022846 logG= -0.027605 Density= 0.107718 ETOT(band)= -0.116164 trlgG= -0.144916 logG= -0.027605 TDE= -0.170616 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.022405 logG= -0.027312 Density= 0.107603 ETOT(band)= -0.116036 trlgG= -0.144433 logG= -0.027312 TDE= -0.170369 logGD-logG0= -0.004889 tlogG= -0.024090 logG= -0.028979 logGD-logG0= -0.005125 tlogG= -0.023964 logG= -0.029089 Density= 0.107414 ETOT(band)= -0.117128 trlgG= -0.147235 logG= -0.029089 TDE= -0.171300 logGD-logG0= -0.005213 tlogG= -0.024133 logG= -0.029346 logGD-logG0= -0.005016 tlogG= -0.023870 logG= -0.028886 Density= 0.108224 ETOT(band)= -0.116618 trlgG= -0.146937 logG= -0.028886 TDE= -0.171606 Density= 0.107349 ETOT(band)= -0.117108 trlgG= -0.147128 logG= -0.028979 TDE= -0.171270 Density= 0.107783 ETOT(band)= -0.117135 trlgG= -0.147695 logG= -0.029346 TDE= -0.171686 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.023685 logG= -0.028411 logGD-logG0= -0.004603 tlogG= -0.023685 logG= -0.028288 Density= 0.106941 ETOT(band)= -0.116921 trlgG= -0.146481 logG= -0.028288 TDE= -0.171113 Density= 0.107347 ETOT(band)= -0.116798 trlgG= -0.146386 logG= -0.028411 TDE= -0.171096 logGD-logG0= -0.005007 tlogG= -0.022871 logG= -0.027878 Density= 0.107586 ETOT(band)= -0.116370 trlgG= -0.145330 logG= -0.027878 TDE= -0.170691 logGD-logG0= -0.004990 tlogG= -0.023213 logG= -0.028203 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108168 ETOT(band)= -0.116270 trlgG= -0.145854 logG= -0.028203 TDE= -0.171177 logGD-logG0= -0.005208 tlogG= -0.023897 logG= -0.029106 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004802 tlogG= -0.023887 logG= -0.028690 Density= 0.107723 ETOT(band)= -0.117006 trlgG= -0.147291 logG= -0.029106 TDE= -0.171492 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106721 ETOT(band)= -0.117194 trlgG= -0.146905 logG= -0.028690 TDE= -0.171026 logGD-logG0= -0.005019 tlogG= -0.023603 logG= -0.028623 logGD-logG0= -0.004631 tlogG= -0.023497 logG= -0.028128 Density= 0.106737 ETOT(band)= -0.116893 trlgG= -0.145946 logG= -0.028128 TDE= -0.170638 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108178 ETOT(band)= -0.116493 trlgG= -0.146517 logG= -0.028623 TDE= -0.171426 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.024067 logG= -0.028843 Density= 0.107023 ETOT(band)= -0.117173 trlgG= -0.147157 logG= -0.028843 TDE= -0.171274 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.022850 logG= -0.027485 logGD-logG0= -0.004517 tlogG= -0.023203 logG= -0.027720 Density= 0.106699 ETOT(band)= -0.116702 trlgG= -0.145464 logG= -0.027720 TDE= -0.170543 logGD-logG0= -0.005166 tlogG= -0.023869 logG= -0.029036 Density= 0.107264 ETOT(band)= -0.116313 trlgG= -0.145046 logG= -0.027485 TDE= -0.170641 Density= 0.107889 ETOT(band)= -0.116872 trlgG= -0.147183 logG= -0.029036 TDE= -0.171536 logGD-logG0= -0.002409 tlogG= -0.010839 logG= -0.013248 Density= 0.054049 ETOT(band)= -0.057625 trlgG= -0.071535 logG= -0.013248 TDE= -0.085033 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009574 tlogG= -0.048240 logG= -0.057814 Density= 0.214338 ETOT(band)= -0.234301 trlgG= -0.294386 logG= -0.057814 TDE= -0.342637 logGD-logG0= -0.005180 tlogG= -0.024087 logG= -0.029267 Density= 0.107861 ETOT(band)= -0.117046 trlgG= -0.147569 logG= -0.029267 TDE= -0.171677 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009260 tlogG= -0.045755 logG= -0.055015 logGD-logG0= -0.005204 tlogG= -0.023579 logG= -0.028783 Density= 0.214956 ETOT(band)= -0.232456 trlgG= -0.289990 logG= -0.055015 TDE= -0.341346 Density= 0.107772 ETOT(band)= -0.116777 trlgG= -0.146768 logG= -0.028783 TDE= -0.171316 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009540 tlogG= -0.045586 logG= -0.055126 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002348 tlogG= -0.010424 logG= -0.012772 Density= 0.054367 ETOT(band)= -0.057105 trlgG= -0.070685 logG= -0.012772 TDE= -0.084816 Density= 0.214296 ETOT(band)= -0.232812 trlgG= -0.290173 logG= -0.055126 TDE= -0.341091 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.024058 logG= -0.029213 Density= 0.107920 ETOT(band)= -0.116978 trlgG= -0.147480 logG= -0.029213 TDE= -0.171671 logGD-logG0= -0.009720 tlogG= -0.047897 logG= -0.057617 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213902 ETOT(band)= -0.234343 trlgG= -0.294078 logG= -0.057617 TDE= -0.342310 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009440 tlogG= -0.047156 logG= -0.056596 Density= 0.213697 ETOT(band)= -0.233901 trlgG= -0.292816 logG= -0.056596 TDE= -0.341967 logGD-logG0= -0.009607 tlogG= -0.047146 logG= -0.056753 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213708 ETOT(band)= -0.233945 trlgG= -0.292607 logG= -0.056753 TDE= -0.341608 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009334 tlogG= -0.047922 logG= -0.057256 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009213 tlogG= -0.047443 logG= -0.056656 Density= 0.213200 ETOT(band)= -0.234414 trlgG= -0.293535 logG= -0.057256 TDE= -0.341781 Density= 0.214246 ETOT(band)= -0.233727 trlgG= -0.292941 logG= -0.056656 TDE= -0.342305 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001588 tlogG= -0.006990 logG= -0.008578 logGD-logG0= -0.010101 tlogG= -0.047973 logG= -0.058074 logGD-logG0= -0.010252 tlogG= -0.048075 logG= -0.058327 logGD-logG0= -0.008902 tlogG= -0.047626 logG= -0.056528 Density= 0.212849 ETOT(band)= -0.234208 trlgG= -0.292889 logG= -0.056528 TDE= -0.341690 Density= 0.215013 ETOT(band)= -0.234272 trlgG= -0.294732 logG= -0.058327 TDE= -0.342804 Density= 0.215015 ETOT(band)= -0.234127 trlgG= -0.294316 logG= -0.058074 TDE= -0.342642 logGD-logG0= -0.009645 tlogG= -0.045643 logG= -0.055289 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009844 tlogG= -0.048024 logG= -0.057868 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215089 ETOT(band)= -0.232530 trlgG= -0.289981 logG= -0.055289 TDE= -0.341128 Density= 0.214469 ETOT(band)= -0.234247 trlgG= -0.294133 logG= -0.057868 TDE= -0.342395 logGD-logG0= -0.010334 tlogG= -0.048008 logG= -0.058342 Density= 0.215050 ETOT(band)= -0.234263 trlgG= -0.294760 logG= -0.058342 TDE= -0.342835 Density= 0.036188 ETOT(band)= -0.038149 trlgG= -0.047243 logG= -0.008578 TDE= -0.056572 logGD-logG0= -0.010297 tlogG= -0.047741 logG= -0.058038 Density= 0.214696 ETOT(band)= -0.234221 trlgG= -0.294224 logG= -0.058038 TDE= -0.342428 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010308 tlogG= -0.047941 logG= -0.058248 Density= 0.215844 ETOT(band)= -0.233827 trlgG= -0.294659 logG= -0.058248 TDE= -0.343221 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.047654 logG= -0.057617 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213882 ETOT(band)= -0.234330 trlgG= -0.293830 logG= -0.057617 TDE= -0.342052 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010383 tlogG= -0.047528 logG= -0.057910 logGD-logG0= -0.010192 tlogG= -0.047300 logG= -0.057492 Density= 0.214197 ETOT(band)= -0.234120 trlgG= -0.293306 logG= -0.057492 TDE= -0.341809 logGD-logG0= -0.010400 tlogG= -0.046870 logG= -0.057270 Density= 0.215373 ETOT(band)= -0.233479 trlgG= -0.293059 logG= -0.057270 TDE= -0.342366 logGD-logG0= -0.010162 tlogG= -0.047781 logG= -0.057943 Density= 0.215646 ETOT(band)= -0.233712 trlgG= -0.294098 logG= -0.057910 TDE= -0.342900 logGD-logG0= -0.010358 tlogG= -0.047412 logG= -0.057770 Density= 0.215412 ETOT(band)= -0.233755 trlgG= -0.293860 logG= -0.057770 TDE= -0.342686 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214595 ETOT(band)= -0.234216 trlgG= -0.294055 logG= -0.057943 TDE= -0.342305 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009960 tlogG= -0.046405 logG= -0.056365 Density= 0.215157 ETOT(band)= -0.233091 trlgG= -0.291617 logG= -0.056365 TDE= -0.341722 Density= 0.035833 ETOT(band)= -0.038601 trlgG= -0.047906 logG= -0.008958 TDE= -0.056680 logGD-logG0= -0.010448 tlogG= -0.048138 logG= -0.058585 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215368 ETOT(band)= -0.234286 trlgG= -0.295195 logG= -0.058585 TDE= -0.343184 logGD-logG0= -0.010363 tlogG= -0.047889 logG= -0.058252 Density= 0.215715 ETOT(band)= -0.233901 trlgG= -0.294663 logG= -0.058252 TDE= -0.343157 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009569 tlogG= -0.047220 logG= -0.056788 Density= 0.214413 ETOT(band)= -0.233686 trlgG= -0.292713 logG= -0.056788 TDE= -0.342027 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009871 tlogG= -0.047145 logG= -0.057017 Density= 0.215092 ETOT(band)= -0.233493 trlgG= -0.292635 logG= -0.057017 TDE= -0.342057 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.021871 logG= -0.026753 Density= 0.108297 ETOT(band)= -0.115314 trlgG= -0.143491 logG= -0.026753 TDE= -0.170329 logGD-logG0= -0.004796 tlogG= -0.021560 logG= -0.026355 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108489 ETOT(band)= -0.114946 trlgG= -0.142809 logG= -0.026355 TDE= -0.170139 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004714 tlogG= -0.020984 logG= -0.025699 Density= 0.108687 ETOT(band)= -0.114356 trlgG= -0.141650 logG= -0.025699 TDE= -0.169735 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004604 tlogG= -0.022987 logG= -0.027591 Density= 0.106836 ETOT(band)= -0.116570 trlgG= -0.145201 logG= -0.027591 TDE= -0.170478 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.021815 logG= -0.026777 Density= 0.107758 ETOT(band)= -0.115607 trlgG= -0.143556 logG= -0.026777 TDE= -0.170104 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004902 tlogG= -0.021692 logG= -0.026594 logGD-logG0= -0.009798 tlogG= -0.043383 logG= -0.053181 Density= 0.216222 ETOT(band)= -0.230613 trlgG= -0.286463 logG= -0.053181 TDE= -0.340280 Density= 0.107902 ETOT(band)= -0.115413 trlgG= -0.143245 logG= -0.026594 TDE= -0.170047 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001210 tlogG= -0.005618 logG= -0.006828 Density= 0.080816 ETOT(band)= -0.087024 trlgG= -0.108604 logG= -0.006828 TDE= -0.042688 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001231 tlogG= -0.005747 logG= -0.006978 Density= 0.080613 ETOT(band)= -0.087454 trlgG= -0.109609 logG= -0.006978 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005939 logG= -0.007188 Density= 0.080811 ETOT(band)= -0.087702 trlgG= -0.110361 logG= -0.007188 TDE= -0.042884 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.007965 logG= -0.009362 Density= 0.070840 ETOT(band)= -0.078008 trlgG= -0.097456 logG= -0.009362 TDE= -0.056987 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.023955 logG= -0.028922 Density= 0.214276 ETOT(band)= -0.234253 trlgG= -0.293913 logG= -0.028922 TDE= -0.171137 logGD-logG0= -0.005069 tlogG= -0.022966 logG= -0.028034 Density= 0.216172 ETOT(band)= -0.232225 trlgG= -0.290575 logG= -0.028034 TDE= -0.170974 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023877 logG= -0.028688 Density= 0.213719 ETOT(band)= -0.234173 trlgG= -0.293009 logG= -0.028688 TDE= -0.170867 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004672 tlogG= -0.023243 logG= -0.027915 Density= 0.213427 ETOT(band)= -0.233782 trlgG= -0.292229 logG= -0.027915 TDE= -0.170818 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005983 logG= -0.007231 Density= 0.081042 ETOT(band)= -0.087603 trlgG= -0.110412 logG= -0.007231 TDE= -0.042914 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001159 tlogG= -0.005170 logG= -0.006329 Density= 0.062521 ETOT(band)= -0.067591 trlgG= -0.084207 logG= -0.006329 TDE= -0.042377 logGD-logG0= -0.001544 tlogG= -0.006872 logG= -0.008417 Density= 0.040840 ETOT(band)= -0.042698 trlgG= -0.052792 logG= -0.008417 TDE= -0.056486 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004191 tlogG= -0.024129 logG= -0.028321 Density= 0.212090 ETOT(band)= -0.234554 trlgG= -0.293699 logG= -0.028321 TDE= -0.171052 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023349 logG= -0.028677 Density= 0.215048 ETOT(band)= -0.233505 trlgG= -0.292711 logG= -0.028677 TDE= -0.171038 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004859 tlogG= -0.022901 logG= -0.027760 Density= 0.214733 ETOT(band)= -0.232556 trlgG= -0.289685 logG= -0.027760 TDE= -0.170504 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001245 tlogG= -0.005855 logG= -0.007100 Density= 0.080626 ETOT(band)= -0.087669 trlgG= -0.110164 logG= -0.007100 TDE= -0.042830 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.024000 logG= -0.029111 Density= 0.215633 ETOT(band)= -0.234002 trlgG= -0.294818 logG= -0.029111 TDE= -0.171652 logGD-logG0= -0.005145 tlogG= -0.023798 logG= -0.028943 Density= 0.215278 ETOT(band)= -0.233911 trlgG= -0.294162 logG= -0.028943 TDE= -0.171500 logGD-logG0= -0.004379 tlogG= -0.023584 logG= -0.027964 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212540 ETOT(band)= -0.234169 trlgG= -0.292748 logG= -0.027964 TDE= -0.170768 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023887 logG= -0.028382 Density= 0.213208 ETOT(band)= -0.234030 trlgG= -0.292496 logG= -0.028382 TDE= -0.170855 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023998 logG= -0.029073 Density= 0.216306 ETOT(band)= -0.233477 trlgG= -0.294334 logG= -0.029073 TDE= -0.171669 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023477 logG= -0.028621 Density= 0.215157 ETOT(band)= -0.233478 trlgG= -0.292900 logG= -0.028621 TDE= -0.171242 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.024004 logG= -0.028666 Density= 0.321471 ETOT(band)= -0.351346 trlgG= -0.441336 logG= -0.028666 TDE= -0.171299 logGD-logG0= -0.004966 tlogG= -0.023841 logG= -0.028807 Density= 0.215441 ETOT(band)= -0.233905 trlgG= -0.294268 logG= -0.028807 TDE= -0.171188 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022436 logG= -0.027444 logGD-logG0= -0.001535 tlogG= -0.007588 logG= -0.009123 Density= 0.071475 ETOT(band)= -0.077400 trlgG= -0.096154 logG= -0.009123 TDE= -0.056762 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216317 ETOT(band)= -0.231427 trlgG= -0.288588 logG= -0.027444 TDE= -0.170639 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.047784 logG= -0.057963 Density= 0.324275 ETOT(band)= -0.350122 trlgG= -0.441001 logG= -0.057963 TDE= -0.343178 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.024155 logG= -0.029062 logGD-logG0= -0.004470 tlogG= -0.023969 logG= -0.028439 Density= 0.214681 ETOT(band)= -0.234321 trlgG= -0.294525 logG= -0.029062 TDE= -0.171309 Density= 0.212732 ETOT(band)= -0.234445 trlgG= -0.293493 logG= -0.028439 TDE= -0.170904 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023955 logG= -0.029023 Density= 0.216340 ETOT(band)= -0.233373 trlgG= -0.294101 logG= -0.029023 TDE= -0.171642 logGD-logG0= -0.010226 tlogG= -0.047233 logG= -0.057459 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324055 ETOT(band)= -0.349758 trlgG= -0.439655 logG= -0.057459 TDE= -0.342786 logGD-logG0= -0.004934 tlogG= -0.024160 logG= -0.029093 Density= 0.322352 ETOT(band)= -0.351449 trlgG= -0.442013 logG= -0.029093 TDE= -0.171304 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.045620 logG= -0.055579 Density= 0.323963 ETOT(band)= -0.348162 trlgG= -0.434949 logG= -0.055579 TDE= -0.341602 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004573 tlogG= -0.023365 logG= -0.027938 Density= 0.321539 ETOT(band)= -0.350298 trlgG= -0.438759 logG= -0.027938 TDE= -0.170973 logGD-logG0= -0.005095 tlogG= -0.023413 logG= -0.028509 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216146 ETOT(band)= -0.232798 trlgG= -0.292191 logG= -0.028509 TDE= -0.171262 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010226 tlogG= -0.046411 logG= -0.056637 Density= 0.323917 ETOT(band)= -0.349105 trlgG= -0.437570 logG= -0.056637 TDE= -0.342228 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009463 tlogG= -0.046599 logG= -0.056062 logGD-logG0= -0.005252 tlogG= -0.023898 logG= -0.029150 Density= 0.215592 ETOT(band)= -0.233904 trlgG= -0.294545 logG= -0.029150 TDE= -0.171509 logGD-logG0= -0.004324 tlogG= -0.023738 logG= -0.028062 logGD-logG0= -0.005237 tlogG= -0.023957 logG= -0.029194 Density= 0.213011 ETOT(band)= -0.233757 trlgG= -0.291771 logG= -0.028062 TDE= -0.170853 Density= 0.322615 ETOT(band)= -0.349242 trlgG= -0.436391 logG= -0.056062 TDE= -0.341755 Density= 0.323581 ETOT(band)= -0.350874 trlgG= -0.442097 logG= -0.029194 TDE= -0.171557 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023835 logG= -0.028559 Density= 0.213503 ETOT(band)= -0.234314 trlgG= -0.293746 logG= -0.028559 TDE= -0.171123 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010468 tlogG= -0.048036 logG= -0.058504 Density= 0.323165 ETOT(band)= -0.351206 trlgG= -0.442358 logG= -0.058504 TDE= -0.343174 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004541 tlogG= -0.023369 logG= -0.027910 logGD-logG0= -0.005204 tlogG= -0.024122 logG= -0.029326 Density= 0.214117 ETOT(band)= -0.233534 trlgG= -0.292336 logG= -0.027910 TDE= -0.170982 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081541 ETOT(band)= -0.085737 trlgG= -0.106200 logG= -0.006483 TDE= -0.042479 Density= 0.215665 ETOT(band)= -0.234158 trlgG= -0.295234 logG= -0.029326 TDE= -0.171686 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.023240 logG= -0.028161 Density= 0.321607 ETOT(band)= -0.350802 trlgG= -0.439611 logG= -0.028161 TDE= -0.170928 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004629 tlogG= -0.024005 logG= -0.028634 logGD-logG0= -0.005062 tlogG= -0.023190 logG= -0.028252 Density= 0.214806 ETOT(band)= -0.233108 trlgG= -0.291217 logG= -0.028252 TDE= -0.170693 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214055 ETOT(band)= -0.234247 trlgG= -0.294130 logG= -0.028634 TDE= -0.171304 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001656 tlogG= -0.007116 logG= -0.008772 Density= 0.072213 ETOT(band)= -0.076526 trlgG= -0.094834 logG= -0.008772 TDE= -0.056647 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005140 tlogG= -0.024080 logG= -0.029220 Density= 0.322978 ETOT(band)= -0.351416 trlgG= -0.442663 logG= -0.029220 TDE= -0.171499 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023684 logG= -0.028985 logGD-logG0= -0.009420 tlogG= -0.047836 logG= -0.057255 Density= 0.215352 ETOT(band)= -0.233759 trlgG= -0.293849 logG= -0.028985 TDE= -0.171332 Density= 0.427904 ETOT(band)= -0.468479 trlgG= -0.587847 logG= -0.057255 TDE= -0.342413 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081180 ETOT(band)= -0.086408 trlgG= -0.107363 logG= -0.006664 TDE= -0.042590 logGD-logG0= -0.009231 tlogG= -0.046707 logG= -0.055938 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427753 ETOT(band)= -0.466456 trlgG= -0.581849 logG= -0.055938 TDE= -0.341367 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.022471 logG= -0.027277 Density= 0.214959 ETOT(band)= -0.231818 trlgG= -0.288038 logG= -0.027277 TDE= -0.170254 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023761 logG= -0.028849 Density= 0.216228 ETOT(band)= -0.233176 trlgG= -0.293398 logG= -0.028849 TDE= -0.171501 logGD-logG0= -0.010438 tlogG= -0.047721 logG= -0.058158 logGD-logG0= -0.010268 tlogG= -0.048063 logG= -0.058332 Density= 0.430027 ETOT(band)= -0.468405 trlgG= -0.589054 logG= -0.058332 TDE= -0.342804 logGD-logG0= -0.009282 tlogG= -0.046603 logG= -0.055885 logGD-logG0= -0.010036 tlogG= -0.047662 logG= -0.057698 Density= 0.428160 ETOT(band)= -0.468459 trlgG= -0.587179 logG= -0.057698 TDE= -0.342054 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430638 ETOT(band)= -0.467821 trlgG= -0.588333 logG= -0.058158 TDE= -0.342820 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.021297 logG= -0.026093 Density= 0.162612 ETOT(band)= -0.173089 trlgG= -0.215901 logG= -0.026093 TDE= -0.169952 Density= 0.427961 ETOT(band)= -0.467176 trlgG= -0.584453 logG= -0.055885 TDE= -0.341782 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.048215 logG= -0.058272 Density= 0.429920 ETOT(band)= -0.468575 trlgG= -0.589383 logG= -0.058272 TDE= -0.342679 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008741 tlogG= -0.048090 logG= -0.056832 Density= 0.425380 ETOT(band)= -0.468689 trlgG= -0.586475 logG= -0.056832 TDE= -0.341925 logGD-logG0= -0.009923 tlogG= -0.048144 logG= -0.058067 logGD-logG0= -0.009596 tlogG= -0.047848 logG= -0.057444 Density= 0.429011 ETOT(band)= -0.468244 trlgG= -0.587809 logG= -0.057444 TDE= -0.342398 Density= 0.429178 ETOT(band)= -0.468578 trlgG= -0.588613 logG= -0.058067 TDE= -0.342459 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009435 tlogG= -0.047641 logG= -0.057076 logGD-logG0= -0.010531 tlogG= -0.047692 logG= -0.058224 Density= 0.426528 ETOT(band)= -0.468705 trlgG= -0.586992 logG= -0.057076 TDE= -0.341946 Density= 0.430982 ETOT(band)= -0.467761 trlgG= -0.588690 logG= -0.058224 TDE= -0.342927 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009389 tlogG= -0.047761 logG= -0.057149 Density= 0.427035 ETOT(band)= -0.468249 trlgG= -0.585839 logG= -0.057149 TDE= -0.341648 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009712 tlogG= -0.046395 logG= -0.056107 logGD-logG0= -0.010093 tlogG= -0.047951 logG= -0.058044 Density= 0.429404 ETOT(band)= -0.465870 trlgG= -0.581510 logG= -0.056107 TDE= -0.341476 Density= 0.429080 ETOT(band)= -0.468541 trlgG= -0.588264 logG= -0.058044 TDE= -0.342303 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010455 tlogG= -0.048018 logG= -0.058473 Density= 0.431225 ETOT(band)= -0.468042 trlgG= -0.589682 logG= -0.058473 TDE= -0.343191 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009777 tlogG= -0.047555 logG= -0.057332 logGD-logG0= -0.010097 tlogG= -0.046924 logG= -0.057021 Density= 0.428478 ETOT(band)= -0.467801 trlgG= -0.586213 logG= -0.057332 TDE= -0.342098 Density= 0.429758 ETOT(band)= -0.466781 trlgG= -0.584213 logG= -0.057021 TDE= -0.341771 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.022324 logG= -0.027048 Density= 0.322782 ETOT(band)= -0.348210 trlgG= -0.434001 logG= -0.027048 TDE= -0.170320 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010496 tlogG= -0.047260 logG= -0.057756 Density= 0.430365 ETOT(band)= -0.467399 trlgG= -0.586862 logG= -0.057756 TDE= -0.342436 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.021876 logG= -0.026845 Density= 0.216574 ETOT(band)= -0.230428 trlgG= -0.286465 logG= -0.026845 TDE= -0.170298 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010021 tlogG= -0.047563 logG= -0.057584 Density= 0.429890 ETOT(band)= -0.467426 trlgG= -0.586143 logG= -0.057584 TDE= -0.342216 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.021347 logG= -0.026226 Density= 0.216971 ETOT(band)= -0.229316 trlgG= -0.284257 logG= -0.026226 TDE= -0.169965 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009748 tlogG= -0.044614 logG= -0.054363 Density= 0.324205 ETOT(band)= -0.346892 trlgG= -0.431934 logG= -0.054363 TDE= -0.340923 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004838 tlogG= -0.021202 logG= -0.026039 logGD-logG0= -0.004683 tlogG= -0.022324 logG= -0.027007 Density= 0.216292 ETOT(band)= -0.230182 trlgG= -0.285520 logG= -0.026039 TDE= -0.169871 Density= 0.214966 ETOT(band)= -0.232107 trlgG= -0.289084 logG= -0.027007 TDE= -0.170327 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009594 tlogG= -0.044619 logG= -0.054213 Density= 0.431492 ETOT(band)= -0.462379 trlgG= -0.574712 logG= -0.054213 TDE= -0.340561 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004837 tlogG= -0.022290 logG= -0.027127 Density= 0.214192 ETOT(band)= -0.232602 trlgG= -0.289442 logG= -0.027127 TDE= -0.170240 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.033867768983 eV TrLogG= -407.222109919288 eV Ratio to renormalize= 1.000313010383 rho-rho_expected=-0.006884073631 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964819947997300 0.940715925344433 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002280 tlogG= -0.011446 logG= -0.013726 Density= 0.053721 ETOT(band)= -0.058107 trlgG= -0.072495 logG= -0.013726 TDE= -0.085353 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.024042 logG= -0.028484 Density= 0.106349 ETOT(band)= -0.117235 trlgG= -0.146791 logG= -0.028484 TDE= -0.170934 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023680 logG= -0.028863 Density= 0.107199 ETOT(band)= -0.117076 trlgG= -0.146839 logG= -0.028863 TDE= -0.171023 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.023637 logG= -0.028534 Density= 0.106943 ETOT(band)= -0.117007 trlgG= -0.146290 logG= -0.028534 TDE= -0.170677 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023887 logG= -0.028690 Density= 0.106721 ETOT(band)= -0.117193 trlgG= -0.146903 logG= -0.028690 TDE= -0.171024 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.024066 logG= -0.028843 Density= 0.107022 ETOT(band)= -0.117171 trlgG= -0.147155 logG= -0.028843 TDE= -0.171272 logGD-logG0= -0.004635 tlogG= -0.022849 logG= -0.027484 Density= 0.107264 ETOT(band)= -0.116311 trlgG= -0.145044 logG= -0.027484 TDE= -0.170639 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010839 logG= -0.013248 Density= 0.054049 ETOT(band)= -0.057624 trlgG= -0.071534 logG= -0.013248 TDE= -0.085032 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.004542 ETOT(band)= -0.004735 trlgG= -0.005851 logG= -0.001044 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001451 tlogG= -0.007810 logG= -0.009261 Density= 0.035479 ETOT(band)= -0.038952 trlgG= -0.048606 logG= -0.009261 TDE= -0.056901 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.008044 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039105 trlgG= -0.048971 logG= -0.009414 TDE= -0.057025 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004218 tlogG= -0.024049 logG= -0.028266 Density= 0.106076 ETOT(band)= -0.117250 trlgG= -0.146785 logG= -0.028266 TDE= -0.171011 logGD-logG0= -0.004244 tlogG= -0.023972 logG= -0.028216 Density= 0.106128 ETOT(band)= -0.117206 trlgG= -0.146672 logG= -0.028216 TDE= -0.170973 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.022404 logG= -0.027312 logGD-logG0= -0.002550 tlogG= -0.012030 logG= -0.014580 Density= 0.107603 ETOT(band)= -0.116035 trlgG= -0.144431 logG= -0.027312 TDE= -0.170367 Density= 0.053748 ETOT(band)= -0.058569 trlgG= -0.073680 logG= -0.014580 TDE= -0.085696 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004631 tlogG= -0.023496 logG= -0.028127 Density= 0.106736 ETOT(band)= -0.116891 trlgG= -0.145944 logG= -0.028127 TDE= -0.170636 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002368 tlogG= -0.012081 logG= -0.014448 Density= 0.053568 ETOT(band)= -0.058583 trlgG= -0.073623 logG= -0.014448 TDE= -0.085682 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.023202 logG= -0.027720 Density= 0.106699 ETOT(band)= -0.116701 trlgG= -0.145461 logG= -0.027720 TDE= -0.170541 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002273 tlogG= -0.011882 logG= -0.014155 Density= 0.053545 ETOT(band)= -0.058439 trlgG= -0.073261 logG= -0.014155 TDE= -0.085602 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002505 tlogG= -0.011983 logG= -0.014488 Density= 0.054125 ETOT(band)= -0.058328 trlgG= -0.073540 logG= -0.014488 TDE= -0.085836 logGD-logG0= -0.004604 tlogG= -0.022986 logG= -0.027590 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106835 ETOT(band)= -0.116568 trlgG= -0.145199 logG= -0.027590 TDE= -0.170476 logGD-logG0= -0.004931 tlogG= -0.022453 logG= -0.027384 Density= 0.108176 ETOT(band)= -0.115803 trlgG= -0.144548 logG= -0.027384 TDE= -0.170695 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002349 tlogG= -0.010423 logG= -0.012772 Density= 0.054366 ETOT(band)= -0.057104 trlgG= -0.070684 logG= -0.012772 TDE= -0.084815 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004998 tlogG= -0.022979 logG= -0.027977 logGD-logG0= -0.005043 tlogG= -0.023761 logG= -0.028804 Density= 0.108152 ETOT(band)= -0.116607 trlgG= -0.146806 logG= -0.028804 TDE= -0.171521 Density= 0.108108 ETOT(band)= -0.116176 trlgG= -0.145496 logG= -0.027977 TDE= -0.171016 logGD-logG0= -0.002574 tlogG= -0.011987 logG= -0.014561 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 Density= 0.035833 ETOT(band)= -0.038600 trlgG= -0.047906 logG= -0.008958 TDE= -0.056680 logGD-logG0= -0.005176 tlogG= -0.024067 logG= -0.029242 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053969 ETOT(band)= -0.058450 trlgG= -0.073662 logG= -0.014561 TDE= -0.085808 Density= 0.107613 ETOT(band)= -0.117139 trlgG= -0.147505 logG= -0.029242 TDE= -0.171515 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004848 tlogG= -0.022165 logG= -0.027013 logGD-logG0= -0.001588 tlogG= -0.006990 logG= -0.008578 Density= 0.036188 ETOT(band)= -0.038148 trlgG= -0.047242 logG= -0.008578 TDE= -0.056571 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023428 logG= -0.028466 Density= 0.108104 ETOT(band)= -0.116446 trlgG= -0.146271 logG= -0.028466 TDE= -0.171300 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108332 ETOT(band)= -0.115496 trlgG= -0.143939 logG= -0.027013 TDE= -0.170534 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005029 tlogG= -0.023948 logG= -0.028977 logGD-logG0= -0.004759 tlogG= -0.022846 logG= -0.027605 Density= 0.107717 ETOT(band)= -0.116163 trlgG= -0.144914 logG= -0.027605 TDE= -0.170614 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108203 ETOT(band)= -0.116681 trlgG= -0.147084 logG= -0.028977 TDE= -0.171651 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.023869 logG= -0.028886 Density= 0.108224 ETOT(band)= -0.116616 trlgG= -0.146935 logG= -0.028886 TDE= -0.171604 logGD-logG0= -0.005208 tlogG= -0.023897 logG= -0.029105 Density= 0.107723 ETOT(band)= -0.117004 trlgG= -0.147289 logG= -0.029105 TDE= -0.171490 logGD-logG0= -0.004990 tlogG= -0.023213 logG= -0.028203 Density= 0.108168 ETOT(band)= -0.116268 trlgG= -0.145852 logG= -0.028203 TDE= -0.171175 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023684 logG= -0.028288 logGD-logG0= -0.005125 tlogG= -0.023963 logG= -0.029088 Density= 0.107413 ETOT(band)= -0.117127 trlgG= -0.147233 logG= -0.029088 TDE= -0.171298 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024089 logG= -0.028978 Density= 0.107348 ETOT(band)= -0.117107 trlgG= -0.147125 logG= -0.028978 TDE= -0.171268 Density= 0.106941 ETOT(band)= -0.116919 trlgG= -0.146479 logG= -0.028288 TDE= -0.171111 logGD-logG0= -0.004726 tlogG= -0.023685 logG= -0.028410 logGD-logG0= -0.005214 tlogG= -0.024132 logG= -0.029346 Density= 0.107783 ETOT(band)= -0.117134 trlgG= -0.147693 logG= -0.029346 TDE= -0.171684 Density= 0.107347 ETOT(band)= -0.116796 trlgG= -0.146384 logG= -0.028410 TDE= -0.171094 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.024086 logG= -0.029267 logGD-logG0= -0.005020 tlogG= -0.023603 logG= -0.028622 Density= 0.108177 ETOT(band)= -0.116491 trlgG= -0.146515 logG= -0.028622 TDE= -0.171424 Density= 0.107860 ETOT(band)= -0.117045 trlgG= -0.147567 logG= -0.029267 TDE= -0.171675 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022730 logG= -0.027656 Density= 0.108222 ETOT(band)= -0.115939 trlgG= -0.144984 logG= -0.027656 TDE= -0.170882 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004577 tlogG= -0.023665 logG= -0.028241 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106560 ETOT(band)= -0.117040 trlgG= -0.146377 logG= -0.028241 TDE= -0.170867 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.022870 logG= -0.027878 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107585 ETOT(band)= -0.116368 trlgG= -0.145328 logG= -0.027878 TDE= -0.170689 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023190 logG= -0.028390 Density= 0.107653 ETOT(band)= -0.116615 trlgG= -0.146138 logG= -0.028390 TDE= -0.171020 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009260 tlogG= -0.045754 logG= -0.055014 Density= 0.214955 ETOT(band)= -0.232453 trlgG= -0.289986 logG= -0.055014 TDE= -0.341342 logGD-logG0= -0.009575 tlogG= -0.048238 logG= -0.057813 Density= 0.214337 ETOT(band)= -0.234298 trlgG= -0.294381 logG= -0.057813 TDE= -0.342633 logGD-logG0= -0.005205 tlogG= -0.023578 logG= -0.028783 logGD-logG0= -0.004796 tlogG= -0.021559 logG= -0.026355 Density= 0.108488 ETOT(band)= -0.114944 trlgG= -0.142807 logG= -0.026355 TDE= -0.170137 Density= 0.107771 ETOT(band)= -0.116775 trlgG= -0.146766 logG= -0.028783 TDE= -0.171314 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023869 logG= -0.029035 Density= 0.107888 ETOT(band)= -0.116870 trlgG= -0.147181 logG= -0.029035 TDE= -0.171534 logGD-logG0= -0.009441 tlogG= -0.047155 logG= -0.056596 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213696 ETOT(band)= -0.233898 trlgG= -0.292811 logG= -0.056596 TDE= -0.341963 logGD-logG0= -0.005155 tlogG= -0.024057 logG= -0.029213 Density= 0.107919 ETOT(band)= -0.116977 trlgG= -0.147478 logG= -0.029213 TDE= -0.171669 logGD-logG0= -0.008902 tlogG= -0.047625 logG= -0.056527 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212848 ETOT(band)= -0.234205 trlgG= -0.292885 logG= -0.056527 TDE= -0.341686 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009720 tlogG= -0.047896 logG= -0.057616 logGD-logG0= -0.004715 tlogG= -0.020984 logG= -0.025699 Density= 0.213901 ETOT(band)= -0.234340 trlgG= -0.294073 logG= -0.057616 TDE= -0.342306 Density= 0.108686 ETOT(band)= -0.114355 trlgG= -0.141648 logG= -0.025699 TDE= -0.169733 logGD-logG0= -0.010297 tlogG= -0.047740 logG= -0.058037 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214695 ETOT(band)= -0.234218 trlgG= -0.294219 logG= -0.058037 TDE= -0.342424 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009213 tlogG= -0.047442 logG= -0.056655 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214245 ETOT(band)= -0.233724 trlgG= -0.292937 logG= -0.056655 TDE= -0.342301 logGD-logG0= -0.009607 tlogG= -0.047145 logG= -0.056752 logGD-logG0= -0.009334 tlogG= -0.047921 logG= -0.057255 Density= 0.213199 ETOT(band)= -0.234410 trlgG= -0.293531 logG= -0.057255 TDE= -0.341777 logGD-logG0= -0.010102 tlogG= -0.047972 logG= -0.058073 Density= 0.213707 ETOT(band)= -0.233941 trlgG= -0.292602 logG= -0.056752 TDE= -0.341603 Density= 0.215014 ETOT(band)= -0.234124 trlgG= -0.294312 logG= -0.058073 TDE= -0.342638 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009646 tlogG= -0.045642 logG= -0.055288 Density= 0.215088 ETOT(band)= -0.232527 trlgG= -0.289976 logG= -0.055288 TDE= -0.341124 logGD-logG0= -0.010334 tlogG= -0.048007 logG= -0.058342 logGD-logG0= -0.010162 tlogG= -0.047780 logG= -0.057942 Density= 0.214594 ETOT(band)= -0.234213 trlgG= -0.294051 logG= -0.057942 TDE= -0.342301 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215048 ETOT(band)= -0.234260 trlgG= -0.294755 logG= -0.058342 TDE= -0.342830 logGD-logG0= -0.010401 tlogG= -0.046869 logG= -0.057269 logGD-logG0= -0.009540 tlogG= -0.045585 logG= -0.055125 Density= 0.215372 ETOT(band)= -0.233476 trlgG= -0.293055 logG= -0.057269 TDE= -0.342362 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009845 tlogG= -0.048023 logG= -0.057868 Density= 0.214468 ETOT(band)= -0.234243 trlgG= -0.294129 logG= -0.057868 TDE= -0.342391 logGD-logG0= -0.010309 tlogG= -0.047939 logG= -0.058248 Density= 0.215843 ETOT(band)= -0.233824 trlgG= -0.294655 logG= -0.058248 TDE= -0.343217 logGD-logG0= -0.010252 tlogG= -0.048074 logG= -0.058327 Density= 0.215011 ETOT(band)= -0.234269 trlgG= -0.294728 logG= -0.058327 TDE= -0.342800 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047299 logG= -0.057492 Density= 0.214196 ETOT(band)= -0.234117 trlgG= -0.293301 logG= -0.057492 TDE= -0.341805 Density= 0.214295 ETOT(band)= -0.232808 trlgG= -0.290169 logG= -0.055125 TDE= -0.341087 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.021814 logG= -0.026776 Density= 0.107758 ETOT(band)= -0.115606 trlgG= -0.143554 logG= -0.026776 TDE= -0.170102 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010384 tlogG= -0.047526 logG= -0.057910 Density= 0.215645 ETOT(band)= -0.233709 trlgG= -0.294094 logG= -0.057910 TDE= -0.342896 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010358 tlogG= -0.047411 logG= -0.057770 Density= 0.215411 ETOT(band)= -0.233752 trlgG= -0.293856 logG= -0.057770 TDE= -0.342682 logGD-logG0= -0.009961 tlogG= -0.046404 logG= -0.056364 Density= 0.215155 ETOT(band)= -0.233088 trlgG= -0.291612 logG= -0.056364 TDE= -0.341718 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.047653 logG= -0.057617 Density= 0.213881 ETOT(band)= -0.234327 trlgG= -0.293825 logG= -0.057617 TDE= -0.342048 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010363 tlogG= -0.047888 logG= -0.058251 Density= 0.215713 ETOT(band)= -0.233898 trlgG= -0.294659 logG= -0.058251 TDE= -0.343153 logGD-logG0= -0.010448 tlogG= -0.048137 logG= -0.058585 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215367 ETOT(band)= -0.234283 trlgG= -0.295191 logG= -0.058585 TDE= -0.343180 logGD-logG0= -0.009569 tlogG= -0.047218 logG= -0.056788 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214412 ETOT(band)= -0.233683 trlgG= -0.292709 logG= -0.056788 TDE= -0.342023 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.021691 logG= -0.026593 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107902 ETOT(band)= -0.115412 trlgG= -0.143243 logG= -0.026593 TDE= -0.170045 logGD-logG0= -0.009872 tlogG= -0.047144 logG= -0.057016 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215091 ETOT(band)= -0.233490 trlgG= -0.292631 logG= -0.057016 TDE= -0.342053 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.021870 logG= -0.026752 Density= 0.108296 ETOT(band)= -0.115312 trlgG= -0.143489 logG= -0.026752 TDE= -0.170327 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009799 tlogG= -0.043382 logG= -0.053181 Density= 0.216221 ETOT(band)= -0.230610 trlgG= -0.286460 logG= -0.053181 TDE= -0.340276 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001210 tlogG= -0.005618 logG= -0.006828 Density= 0.080815 ETOT(band)= -0.087023 trlgG= -0.108603 logG= -0.006828 TDE= -0.042687 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004470 tlogG= -0.023969 logG= -0.028438 Density= 0.212731 ETOT(band)= -0.234441 trlgG= -0.293488 logG= -0.028438 TDE= -0.170902 logGD-logG0= -0.004968 tlogG= -0.023954 logG= -0.028922 Density= 0.214275 ETOT(band)= -0.234249 trlgG= -0.293909 logG= -0.028922 TDE= -0.171135 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023877 logG= -0.028687 Density= 0.213718 ETOT(band)= -0.234169 trlgG= -0.293005 logG= -0.028687 TDE= -0.170865 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023834 logG= -0.028559 Density= 0.213502 ETOT(band)= -0.234310 trlgG= -0.293741 logG= -0.028559 TDE= -0.171121 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004629 tlogG= -0.024004 logG= -0.028634 Density= 0.214054 ETOT(band)= -0.234243 trlgG= -0.294126 logG= -0.028634 TDE= -0.171302 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081180 ETOT(band)= -0.086407 trlgG= -0.107361 logG= -0.006664 TDE= -0.042590 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004683 tlogG= -0.022324 logG= -0.027007 Density= 0.214965 ETOT(band)= -0.232104 trlgG= -0.289079 logG= -0.027007 TDE= -0.170324 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001397 tlogG= -0.007965 logG= -0.009361 Density= 0.070840 ETOT(band)= -0.078007 trlgG= -0.097455 logG= -0.009361 TDE= -0.056986 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004192 tlogG= -0.024129 logG= -0.028320 Density= 0.212089 ETOT(band)= -0.234550 trlgG= -0.293695 logG= -0.028320 TDE= -0.171050 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023886 logG= -0.028381 Density= 0.213207 ETOT(band)= -0.234027 trlgG= -0.292492 logG= -0.028381 TDE= -0.170853 logGD-logG0= -0.001545 tlogG= -0.006872 logG= -0.008417 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040840 ETOT(band)= -0.042697 trlgG= -0.052791 logG= -0.008417 TDE= -0.056485 logGD-logG0= -0.004380 tlogG= -0.023584 logG= -0.027963 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212539 ETOT(band)= -0.234165 trlgG= -0.292743 logG= -0.027963 TDE= -0.170766 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001159 tlogG= -0.005170 logG= -0.006329 Density= 0.062521 ETOT(band)= -0.067590 trlgG= -0.084205 logG= -0.006329 TDE= -0.042376 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004859 tlogG= -0.022901 logG= -0.027760 Density= 0.214732 ETOT(band)= -0.232552 trlgG= -0.289681 logG= -0.027760 TDE= -0.170502 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001535 tlogG= -0.007587 logG= -0.009123 Density= 0.071474 ETOT(band)= -0.077399 trlgG= -0.096153 logG= -0.009123 TDE= -0.056761 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005938 logG= -0.007188 Density= 0.080811 ETOT(band)= -0.087701 trlgG= -0.110359 logG= -0.007188 TDE= -0.042884 logGD-logG0= -0.001245 tlogG= -0.005855 logG= -0.007100 Density= 0.080626 ETOT(band)= -0.087668 trlgG= -0.110162 logG= -0.007100 TDE= -0.042830 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081541 ETOT(band)= -0.085736 trlgG= -0.106198 logG= -0.006483 TDE= -0.042478 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001248 tlogG= -0.005983 logG= -0.007231 Density= 0.081041 ETOT(band)= -0.087602 trlgG= -0.110410 logG= -0.007231 TDE= -0.042914 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001231 tlogG= -0.005747 logG= -0.006977 Density= 0.080613 ETOT(band)= -0.087453 trlgG= -0.109607 logG= -0.006977 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.024000 logG= -0.029111 Density= 0.215631 ETOT(band)= -0.233999 trlgG= -0.294814 logG= -0.029111 TDE= -0.171650 logGD-logG0= -0.004324 tlogG= -0.023737 logG= -0.028062 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213010 ETOT(band)= -0.233753 trlgG= -0.291766 logG= -0.028062 TDE= -0.170851 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001656 tlogG= -0.007115 logG= -0.008772 Density= 0.072212 ETOT(band)= -0.076525 trlgG= -0.094833 logG= -0.008772 TDE= -0.056646 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005145 tlogG= -0.023798 logG= -0.028943 Density= 0.215277 ETOT(band)= -0.233908 trlgG= -0.294158 logG= -0.028943 TDE= -0.171497 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023477 logG= -0.028620 Density= 0.215156 ETOT(band)= -0.233475 trlgG= -0.292895 logG= -0.028620 TDE= -0.171240 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.022470 logG= -0.027277 Density= 0.214958 ETOT(band)= -0.231815 trlgG= -0.288034 logG= -0.027277 TDE= -0.170251 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023998 logG= -0.029073 Density= 0.216305 ETOT(band)= -0.233474 trlgG= -0.294330 logG= -0.029073 TDE= -0.171667 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.024003 logG= -0.028665 Density= 0.321469 ETOT(band)= -0.351341 trlgG= -0.441329 logG= -0.028665 TDE= -0.171297 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.023841 logG= -0.028807 Density= 0.215439 ETOT(band)= -0.233902 trlgG= -0.294264 logG= -0.028807 TDE= -0.171186 logGD-logG0= -0.004573 tlogG= -0.023364 logG= -0.027938 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321538 ETOT(band)= -0.350293 trlgG= -0.438752 logG= -0.027938 TDE= -0.170971 logGD-logG0= -0.005009 tlogG= -0.022435 logG= -0.027444 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216316 ETOT(band)= -0.231424 trlgG= -0.288584 logG= -0.027444 TDE= -0.170637 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.024121 logG= -0.029326 Density= 0.215664 ETOT(band)= -0.234155 trlgG= -0.295229 logG= -0.029326 TDE= -0.171683 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.045619 logG= -0.055579 logGD-logG0= -0.004934 tlogG= -0.024159 logG= -0.029093 logGD-logG0= -0.005068 tlogG= -0.023955 logG= -0.029023 Density= 0.323961 ETOT(band)= -0.348158 trlgG= -0.434943 logG= -0.055579 TDE= -0.341598 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216339 ETOT(band)= -0.233370 trlgG= -0.294097 logG= -0.029023 TDE= -0.171640 Density= 0.322350 ETOT(band)= -0.351444 trlgG= -0.442006 logG= -0.029093 TDE= -0.171302 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.024154 logG= -0.029062 logGD-logG0= -0.005096 tlogG= -0.023413 logG= -0.028508 logGD-logG0= -0.010180 tlogG= -0.047783 logG= -0.057962 Density= 0.214679 ETOT(band)= -0.234318 trlgG= -0.294521 logG= -0.029062 TDE= -0.171307 Density= 0.324273 ETOT(band)= -0.350118 trlgG= -0.440995 logG= -0.057962 TDE= -0.343174 logGD-logG0= -0.010469 tlogG= -0.048034 logG= -0.058503 Density= 0.216145 ETOT(band)= -0.232795 trlgG= -0.292187 logG= -0.028508 TDE= -0.171260 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323163 ETOT(band)= -0.351202 trlgG= -0.442351 logG= -0.058503 TDE= -0.343170 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.022965 logG= -0.028034 Density= 0.216171 ETOT(band)= -0.232222 trlgG= -0.290571 logG= -0.028034 TDE= -0.170972 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047231 logG= -0.057458 logGD-logG0= -0.009463 tlogG= -0.046598 logG= -0.056061 Density= 0.324053 ETOT(band)= -0.349754 trlgG= -0.439649 logG= -0.057458 TDE= -0.342782 Density= 0.322614 ETOT(band)= -0.349237 trlgG= -0.436385 logG= -0.056061 TDE= -0.341750 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023760 logG= -0.028848 Density= 0.216227 ETOT(band)= -0.233173 trlgG= -0.293394 logG= -0.028848 TDE= -0.171499 logGD-logG0= -0.004672 tlogG= -0.023242 logG= -0.027915 logGD-logG0= -0.010227 tlogG= -0.046409 logG= -0.056636 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213426 ETOT(band)= -0.233778 trlgG= -0.292225 logG= -0.027915 TDE= -0.170816 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323915 ETOT(band)= -0.349100 trlgG= -0.437564 logG= -0.056636 TDE= -0.342224 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.021875 logG= -0.026844 Density= 0.216573 ETOT(band)= -0.230425 trlgG= -0.286462 logG= -0.026844 TDE= -0.170296 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004541 tlogG= -0.023368 logG= -0.027909 logGD-logG0= -0.005253 tlogG= -0.023897 logG= -0.029150 Density= 0.214116 ETOT(band)= -0.233530 trlgG= -0.292332 logG= -0.027909 TDE= -0.170980 Density= 0.215590 ETOT(band)= -0.233901 trlgG= -0.294541 logG= -0.029150 TDE= -0.171507 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.024079 logG= -0.029219 Density= 0.322976 ETOT(band)= -0.351412 trlgG= -0.442657 logG= -0.029219 TDE= -0.171497 logGD-logG0= -0.005301 tlogG= -0.023683 logG= -0.028984 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215350 ETOT(band)= -0.233756 trlgG= -0.293845 logG= -0.028984 TDE= -0.171329 logGD-logG0= -0.005238 tlogG= -0.023956 logG= -0.029194 Density= 0.323579 ETOT(band)= -0.350869 trlgG= -0.442091 logG= -0.029194 TDE= -0.171555 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023189 logG= -0.028251 Density= 0.214805 ETOT(band)= -0.233105 trlgG= -0.291213 logG= -0.028251 TDE= -0.170691 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023349 logG= -0.028677 Density= 0.215047 ETOT(band)= -0.233501 trlgG= -0.292706 logG= -0.028677 TDE= -0.171036 logGD-logG0= -0.004797 tlogG= -0.021296 logG= -0.026093 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162611 ETOT(band)= -0.173087 trlgG= -0.215898 logG= -0.026093 TDE= -0.169950 logGD-logG0= -0.008742 tlogG= -0.048089 logG= -0.056831 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004921 tlogG= -0.023240 logG= -0.028160 logGD-logG0= -0.009924 tlogG= -0.048142 logG= -0.058066 logGD-logG0= -0.009420 tlogG= -0.047834 logG= -0.057254 Density= 0.427902 ETOT(band)= -0.468472 trlgG= -0.587838 logG= -0.057254 TDE= -0.342409 Density= 0.321606 ETOT(band)= -0.350797 trlgG= -0.439604 logG= -0.028160 TDE= -0.170926 Density= 0.425379 ETOT(band)= -0.468682 trlgG= -0.586465 logG= -0.056831 TDE= -0.341920 Density= 0.429175 ETOT(band)= -0.468571 trlgG= -0.588604 logG= -0.058066 TDE= -0.342454 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.021346 logG= -0.026226 Density= 0.216970 ETOT(band)= -0.229313 trlgG= -0.284253 logG= -0.026226 TDE= -0.169963 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010036 tlogG= -0.047661 logG= -0.057697 logGD-logG0= -0.009282 tlogG= -0.046602 logG= -0.055884 Density= 0.427959 ETOT(band)= -0.467169 trlgG= -0.584444 logG= -0.055884 TDE= -0.341777 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428157 ETOT(band)= -0.468452 trlgG= -0.587170 logG= -0.057697 TDE= -0.342050 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010269 tlogG= -0.048062 logG= -0.058331 Density= 0.430024 ETOT(band)= -0.468399 trlgG= -0.589045 logG= -0.058331 TDE= -0.342800 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.047950 logG= -0.058043 Density= 0.429078 ETOT(band)= -0.468534 trlgG= -0.588255 logG= -0.058043 TDE= -0.342299 logGD-logG0= -0.010438 tlogG= -0.047719 logG= -0.058157 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430636 ETOT(band)= -0.467815 trlgG= -0.588325 logG= -0.058157 TDE= -0.342816 logGD-logG0= -0.009435 tlogG= -0.047640 logG= -0.057075 Density= 0.426526 ETOT(band)= -0.468698 trlgG= -0.586983 logG= -0.057075 TDE= -0.341942 logGD-logG0= -0.010058 tlogG= -0.048214 logG= -0.058272 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429917 ETOT(band)= -0.468569 trlgG= -0.589374 logG= -0.058272 TDE= -0.342675 logGD-logG0= -0.010532 tlogG= -0.047691 logG= -0.058223 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430979 ETOT(band)= -0.467755 trlgG= -0.588681 logG= -0.058223 TDE= -0.342922 logGD-logG0= -0.009597 tlogG= -0.047847 logG= -0.057443 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429009 ETOT(band)= -0.468238 trlgG= -0.587801 logG= -0.057443 TDE= -0.342394 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009389 tlogG= -0.047760 logG= -0.057148 Density= 0.427033 ETOT(band)= -0.468243 trlgG= -0.585830 logG= -0.057148 TDE= -0.341643 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.022289 logG= -0.027126 Density= 0.214191 ETOT(band)= -0.232598 trlgG= -0.289438 logG= -0.027126 TDE= -0.170238 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009713 tlogG= -0.046394 logG= -0.056107 Density= 0.429402 ETOT(band)= -0.465863 trlgG= -0.581501 logG= -0.056107 TDE= -0.341472 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.022324 logG= -0.027048 logGD-logG0= -0.010456 tlogG= -0.048016 logG= -0.058473 Density= 0.431222 ETOT(band)= -0.468036 trlgG= -0.589674 logG= -0.058473 TDE= -0.343187 Density= 0.322780 ETOT(band)= -0.348205 trlgG= -0.433994 logG= -0.027048 TDE= -0.170318 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009777 tlogG= -0.047554 logG= -0.057331 Density= 0.428475 ETOT(band)= -0.467795 trlgG= -0.586204 logG= -0.057331 TDE= -0.342094 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010497 tlogG= -0.047259 logG= -0.057756 Density= 0.430363 ETOT(band)= -0.467393 trlgG= -0.586854 logG= -0.057756 TDE= -0.342431 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010098 tlogG= -0.046923 logG= -0.057020 Density= 0.429755 ETOT(band)= -0.466774 trlgG= -0.584204 logG= -0.057020 TDE= -0.341766 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004838 tlogG= -0.021201 logG= -0.026039 Density= 0.216290 ETOT(band)= -0.230179 trlgG= -0.285516 logG= -0.026039 TDE= -0.169870 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010021 tlogG= -0.047562 logG= -0.057583 Density= 0.429888 ETOT(band)= -0.467420 trlgG= -0.586134 logG= -0.057583 TDE= -0.342212 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009231 tlogG= -0.046706 logG= -0.055937 Density= 0.427751 ETOT(band)= -0.466449 trlgG= -0.581840 logG= -0.055937 TDE= -0.341363 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.044613 logG= -0.054362 Density= 0.324203 ETOT(band)= -0.346887 trlgG= -0.431928 logG= -0.054362 TDE= -0.340919 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009594 tlogG= -0.044618 logG= -0.054213 Density= 0.431489 ETOT(band)= -0.462373 trlgG= -0.574704 logG= -0.054213 TDE= -0.340557 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.029522042601 eV TrLogG= -407.215306779911 eV Ratio to renormalize= 1.000318431089 rho-rho_expected=-0.007003253905 nargs= 1 argi=dmft2.def 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964783495830093 0.940676873734261 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002273 tlogG= -0.011882 logG= -0.014155 Density= 0.053545 ETOT(band)= -0.058439 trlgG= -0.073261 logG= -0.014155 TDE= -0.085603 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002279 tlogG= -0.011446 logG= -0.013726 Density= 0.053721 ETOT(band)= -0.058107 trlgG= -0.072496 logG= -0.013726 TDE= -0.085353 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.024042 logG= -0.028484 Density= 0.106349 ETOT(band)= -0.117236 trlgG= -0.146792 logG= -0.028484 TDE= -0.170935 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.023637 logG= -0.028534 logGD-logG0= -0.005182 tlogG= -0.023681 logG= -0.028863 Density= 0.107199 ETOT(band)= -0.117077 trlgG= -0.146840 logG= -0.028863 TDE= -0.171024 Density= 0.106943 ETOT(band)= -0.117008 trlgG= -0.146291 logG= -0.028534 TDE= -0.170678 logGD-logG0= -0.004577 tlogG= -0.023665 logG= -0.028241 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106560 ETOT(band)= -0.117040 trlgG= -0.146378 logG= -0.028241 TDE= -0.170868 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.022871 logG= -0.027878 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107585 ETOT(band)= -0.116369 trlgG= -0.145329 logG= -0.027878 TDE= -0.170690 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004603 tlogG= -0.023684 logG= -0.028288 Density= 0.106941 ETOT(band)= -0.116920 trlgG= -0.146480 logG= -0.028288 TDE= -0.171112 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004244 tlogG= -0.023972 logG= -0.028216 Density= 0.106128 ETOT(band)= -0.117206 trlgG= -0.146673 logG= -0.028216 TDE= -0.170974 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002368 tlogG= -0.012081 logG= -0.014449 Density= 0.053568 ETOT(band)= -0.058583 trlgG= -0.073623 logG= -0.014449 TDE= -0.085683 logGD-logG0= -0.004218 tlogG= -0.024049 logG= -0.028267 Density= 0.106076 ETOT(band)= -0.117251 trlgG= -0.146787 logG= -0.028267 TDE= -0.171012 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.023203 logG= -0.027720 logGD-logG0= -0.004604 tlogG= -0.022987 logG= -0.027591 Density= 0.106836 ETOT(band)= -0.116569 trlgG= -0.145200 logG= -0.027591 TDE= -0.170477 Density= 0.106699 ETOT(band)= -0.116701 trlgG= -0.145463 logG= -0.027720 TDE= -0.170542 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.004542 ETOT(band)= -0.004736 trlgG= -0.005851 logG= -0.001044 TDE= -0.007055 logGD-logG0= -0.002349 tlogG= -0.010424 logG= -0.012772 Density= 0.054366 ETOT(band)= -0.057104 trlgG= -0.070685 logG= -0.012772 TDE= -0.084816 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005020 tlogG= -0.023603 logG= -0.028623 Density= 0.108178 ETOT(band)= -0.116492 trlgG= -0.146516 logG= -0.028623 TDE= -0.171425 logGD-logG0= -0.002574 tlogG= -0.011987 logG= -0.014561 Density= 0.053969 ETOT(band)= -0.058451 trlgG= -0.073663 logG= -0.014561 TDE= -0.085808 logGD-logG0= -0.002550 tlogG= -0.012030 logG= -0.014581 Density= 0.053748 ETOT(band)= -0.058570 trlgG= -0.073680 logG= -0.014581 TDE= -0.085697 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001451 tlogG= -0.007811 logG= -0.009261 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 Density= 0.035833 ETOT(band)= -0.038600 trlgG= -0.047906 logG= -0.008958 TDE= -0.056680 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035479 ETOT(band)= -0.038952 trlgG= -0.048606 logG= -0.009261 TDE= -0.056901 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.008044 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039105 trlgG= -0.048972 logG= -0.009414 TDE= -0.057025 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023869 logG= -0.029035 Density= 0.107888 ETOT(band)= -0.116871 trlgG= -0.147182 logG= -0.029035 TDE= -0.171535 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002505 tlogG= -0.011983 logG= -0.014488 Density= 0.054125 ETOT(band)= -0.058328 trlgG= -0.073540 logG= -0.014488 TDE= -0.085836 logGD-logG0= -0.005039 tlogG= -0.023428 logG= -0.028466 Density= 0.108104 ETOT(band)= -0.116446 trlgG= -0.146272 logG= -0.028466 TDE= -0.171301 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.022979 logG= -0.027977 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.024067 logG= -0.029242 Density= 0.108108 ETOT(band)= -0.116177 trlgG= -0.145497 logG= -0.027977 TDE= -0.171017 Density= 0.107613 ETOT(band)= -0.117140 trlgG= -0.147506 logG= -0.029242 TDE= -0.171516 logGD-logG0= -0.005029 tlogG= -0.023948 logG= -0.028977 Density= 0.108203 ETOT(band)= -0.116682 trlgG= -0.147085 logG= -0.028977 TDE= -0.171652 logGD-logG0= -0.004930 tlogG= -0.022453 logG= -0.027384 Density= 0.108176 ETOT(band)= -0.115804 trlgG= -0.144549 logG= -0.027384 TDE= -0.170696 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009607 tlogG= -0.047146 logG= -0.056752 Density= 0.213708 ETOT(band)= -0.233943 trlgG= -0.292605 logG= -0.056752 TDE= -0.341605 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.021559 logG= -0.026355 Density= 0.108488 ETOT(band)= -0.114945 trlgG= -0.142808 logG= -0.026355 TDE= -0.170138 logGD-logG0= -0.005043 tlogG= -0.023762 logG= -0.028804 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108152 ETOT(band)= -0.116607 trlgG= -0.146807 logG= -0.028804 TDE= -0.171522 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004848 tlogG= -0.022165 logG= -0.027013 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108333 ETOT(band)= -0.115496 trlgG= -0.143940 logG= -0.027013 TDE= -0.170535 logGD-logG0= -0.005016 tlogG= -0.023869 logG= -0.028886 logGD-logG0= -0.004907 tlogG= -0.022405 logG= -0.027312 Density= 0.107603 ETOT(band)= -0.116036 trlgG= -0.144432 logG= -0.027312 TDE= -0.170368 Density= 0.108224 ETOT(band)= -0.116617 trlgG= -0.146936 logG= -0.028886 TDE= -0.171605 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009646 tlogG= -0.045643 logG= -0.055289 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009334 tlogG= -0.047922 logG= -0.057256 Density= 0.213199 ETOT(band)= -0.234412 trlgG= -0.293533 logG= -0.057256 TDE= -0.341779 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215088 ETOT(band)= -0.232528 trlgG= -0.289978 logG= -0.055289 TDE= -0.341126 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023897 logG= -0.029105 logGD-logG0= -0.004926 tlogG= -0.022730 logG= -0.027656 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005180 tlogG= -0.024086 logG= -0.029267 logGD-logG0= -0.005125 tlogG= -0.023964 logG= -0.029089 Density= 0.107413 ETOT(band)= -0.117128 trlgG= -0.147234 logG= -0.029089 TDE= -0.171299 logGD-logG0= -0.005213 tlogG= -0.024133 logG= -0.029346 Density= 0.107783 ETOT(band)= -0.117134 trlgG= -0.147694 logG= -0.029346 TDE= -0.171685 Density= 0.107723 ETOT(band)= -0.117005 trlgG= -0.147290 logG= -0.029105 TDE= -0.171491 Density= 0.108222 ETOT(band)= -0.115940 trlgG= -0.144985 logG= -0.027656 TDE= -0.170883 Density= 0.107860 ETOT(band)= -0.117045 trlgG= -0.147568 logG= -0.029267 TDE= -0.171676 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004759 tlogG= -0.022846 logG= -0.027605 logGD-logG0= -0.004990 tlogG= -0.023213 logG= -0.028203 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107718 ETOT(band)= -0.116164 trlgG= -0.144915 logG= -0.027605 TDE= -0.170615 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004631 tlogG= -0.023496 logG= -0.028127 Density= 0.108168 ETOT(band)= -0.116269 trlgG= -0.145852 logG= -0.028203 TDE= -0.171176 Density= 0.106737 ETOT(band)= -0.116892 trlgG= -0.145945 logG= -0.028127 TDE= -0.170637 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023887 logG= -0.028690 logGD-logG0= -0.004726 tlogG= -0.023685 logG= -0.028411 Density= 0.106721 ETOT(band)= -0.117193 trlgG= -0.146904 logG= -0.028690 TDE= -0.171025 Density= 0.107347 ETOT(band)= -0.116797 trlgG= -0.146385 logG= -0.028411 TDE= -0.171095 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024089 logG= -0.028979 Density= 0.107348 ETOT(band)= -0.117107 trlgG= -0.147126 logG= -0.028979 TDE= -0.171269 logGD-logG0= -0.004776 tlogG= -0.024067 logG= -0.028843 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107023 ETOT(band)= -0.117172 trlgG= -0.147156 logG= -0.028843 TDE= -0.171273 logGD-logG0= -0.005199 tlogG= -0.023191 logG= -0.028390 logGD-logG0= -0.004635 tlogG= -0.022849 logG= -0.027484 Density= 0.107264 ETOT(band)= -0.116312 trlgG= -0.145045 logG= -0.027484 TDE= -0.170640 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107653 ETOT(band)= -0.116616 trlgG= -0.146139 logG= -0.028390 TDE= -0.171021 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.023578 logG= -0.028783 Density= 0.107772 ETOT(band)= -0.116776 trlgG= -0.146767 logG= -0.028783 TDE= -0.171315 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.021692 logG= -0.026593 Density= 0.107902 ETOT(band)= -0.115412 trlgG= -0.143244 logG= -0.026593 TDE= -0.170046 logGD-logG0= -0.009260 tlogG= -0.045755 logG= -0.055015 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009574 tlogG= -0.048239 logG= -0.057813 Density= 0.214955 ETOT(band)= -0.232454 trlgG= -0.289988 logG= -0.055015 TDE= -0.341344 Density= 0.214337 ETOT(band)= -0.234300 trlgG= -0.294384 logG= -0.057813 TDE= -0.342635 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009540 tlogG= -0.045586 logG= -0.055126 logGD-logG0= -0.008902 tlogG= -0.047625 logG= -0.056527 Density= 0.212849 ETOT(band)= -0.234206 trlgG= -0.292887 logG= -0.056527 TDE= -0.341688 logGD-logG0= -0.009720 tlogG= -0.047896 logG= -0.057617 Density= 0.213901 ETOT(band)= -0.234342 trlgG= -0.294075 logG= -0.057617 TDE= -0.342308 Density= 0.214295 ETOT(band)= -0.232810 trlgG= -0.290171 logG= -0.055126 TDE= -0.341089 logGD-logG0= -0.005155 tlogG= -0.024058 logG= -0.029213 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107920 ETOT(band)= -0.116977 trlgG= -0.147479 logG= -0.029213 TDE= -0.171670 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009441 tlogG= -0.047156 logG= -0.056596 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213696 ETOT(band)= -0.233899 trlgG= -0.292813 logG= -0.056596 TDE= -0.341965 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.047972 logG= -0.058074 Density= 0.215015 ETOT(band)= -0.234126 trlgG= -0.294314 logG= -0.058074 TDE= -0.342640 logGD-logG0= -0.009213 tlogG= -0.047443 logG= -0.056656 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214246 ETOT(band)= -0.233725 trlgG= -0.292939 logG= -0.056656 TDE= -0.342303 logGD-logG0= -0.010297 tlogG= -0.047741 logG= -0.058038 Density= 0.214696 ETOT(band)= -0.234219 trlgG= -0.294221 logG= -0.058038 TDE= -0.342426 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001588 tlogG= -0.006990 logG= -0.008578 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036188 ETOT(band)= -0.038148 trlgG= -0.047242 logG= -0.008578 TDE= -0.056572 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010162 tlogG= -0.047781 logG= -0.057942 logGD-logG0= -0.009964 tlogG= -0.047653 logG= -0.057617 Density= 0.213882 ETOT(band)= -0.234329 trlgG= -0.293828 logG= -0.057617 TDE= -0.342050 logGD-logG0= -0.010334 tlogG= -0.048008 logG= -0.058342 Density= 0.215049 ETOT(band)= -0.234261 trlgG= -0.294757 logG= -0.058342 TDE= -0.342832 logGD-logG0= -0.010252 tlogG= -0.048075 logG= -0.058327 Density= 0.214594 ETOT(band)= -0.234214 trlgG= -0.294053 logG= -0.057942 TDE= -0.342303 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215012 ETOT(band)= -0.234270 trlgG= -0.294730 logG= -0.058327 TDE= -0.342802 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009844 tlogG= -0.048023 logG= -0.057868 logGD-logG0= -0.010383 tlogG= -0.047527 logG= -0.057910 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214469 ETOT(band)= -0.234245 trlgG= -0.294131 logG= -0.057868 TDE= -0.342393 Density= 0.215646 ETOT(band)= -0.233711 trlgG= -0.294096 logG= -0.057910 TDE= -0.342898 logGD-logG0= -0.010193 tlogG= -0.047299 logG= -0.057492 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.046869 logG= -0.057270 Density= 0.215373 ETOT(band)= -0.233477 trlgG= -0.293057 logG= -0.057270 TDE= -0.342364 Density= 0.214196 ETOT(band)= -0.234118 trlgG= -0.293304 logG= -0.057492 TDE= -0.341807 logGD-logG0= -0.010358 tlogG= -0.047412 logG= -0.057770 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215412 ETOT(band)= -0.233754 trlgG= -0.293858 logG= -0.057770 TDE= -0.342684 logGD-logG0= -0.010308 tlogG= -0.047940 logG= -0.058248 Density= 0.215843 ETOT(band)= -0.233825 trlgG= -0.294657 logG= -0.058248 TDE= -0.343219 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010448 tlogG= -0.048137 logG= -0.058585 Density= 0.215367 ETOT(band)= -0.234284 trlgG= -0.295193 logG= -0.058585 TDE= -0.343182 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009960 tlogG= -0.046404 logG= -0.056365 Density= 0.215156 ETOT(band)= -0.233089 trlgG= -0.291614 logG= -0.056365 TDE= -0.341720 logGD-logG0= -0.010363 tlogG= -0.047889 logG= -0.058252 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009569 tlogG= -0.047219 logG= -0.056788 Density= 0.215714 ETOT(band)= -0.233899 trlgG= -0.294661 logG= -0.058252 TDE= -0.343155 Density= 0.214413 ETOT(band)= -0.233684 trlgG= -0.292711 logG= -0.056788 TDE= -0.342025 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010839 logG= -0.013248 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054049 ETOT(band)= -0.057624 trlgG= -0.071534 logG= -0.013248 TDE= -0.085032 logGD-logG0= -0.009872 tlogG= -0.047145 logG= -0.057016 Density= 0.215092 ETOT(band)= -0.233491 trlgG= -0.292633 logG= -0.057016 TDE= -0.342055 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001231 tlogG= -0.005747 logG= -0.006977 Density= 0.080613 ETOT(band)= -0.087454 trlgG= -0.109608 logG= -0.006977 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009799 tlogG= -0.043382 logG= -0.053181 logGD-logG0= -0.004715 tlogG= -0.020984 logG= -0.025699 logGD-logG0= -0.001210 tlogG= -0.005618 logG= -0.006828 Density= 0.108686 ETOT(band)= -0.114355 trlgG= -0.141649 logG= -0.025699 TDE= -0.169734 Density= 0.216222 ETOT(band)= -0.230611 trlgG= -0.286461 logG= -0.053181 TDE= -0.340278 Density= 0.080815 ETOT(band)= -0.087023 trlgG= -0.108604 logG= -0.006828 TDE= -0.042688 logGD-logG0= -0.004882 tlogG= -0.021870 logG= -0.026753 Density= 0.108297 ETOT(band)= -0.115313 trlgG= -0.143490 logG= -0.026753 TDE= -0.170328 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004962 tlogG= -0.021815 logG= -0.026776 Density= 0.107758 ETOT(band)= -0.115606 trlgG= -0.143555 logG= -0.026776 TDE= -0.170103 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004968 tlogG= -0.023955 logG= -0.028922 Density= 0.214275 ETOT(band)= -0.234251 trlgG= -0.293911 logG= -0.028922 TDE= -0.171136 logGD-logG0= -0.004470 tlogG= -0.023969 logG= -0.028439 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212732 ETOT(band)= -0.234443 trlgG= -0.293490 logG= -0.028439 TDE= -0.170903 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023877 logG= -0.028687 Density= 0.213719 ETOT(band)= -0.234171 trlgG= -0.293007 logG= -0.028687 TDE= -0.170866 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004672 tlogG= -0.023242 logG= -0.027915 Density= 0.213426 ETOT(band)= -0.233780 trlgG= -0.292227 logG= -0.027915 TDE= -0.170817 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023189 logG= -0.028251 Density= 0.214805 ETOT(band)= -0.233107 trlgG= -0.291215 logG= -0.028251 TDE= -0.170692 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004541 tlogG= -0.023368 logG= -0.027910 Density= 0.214116 ETOT(band)= -0.233532 trlgG= -0.292334 logG= -0.027910 TDE= -0.170981 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004380 tlogG= -0.023584 logG= -0.027964 Density= 0.212540 ETOT(band)= -0.234167 trlgG= -0.292746 logG= -0.027964 TDE= -0.170767 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001535 tlogG= -0.007587 logG= -0.009123 Density= 0.071474 ETOT(band)= -0.077400 trlgG= -0.096153 logG= -0.009123 TDE= -0.056762 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004324 tlogG= -0.023738 logG= -0.028062 Density= 0.213010 ETOT(band)= -0.233755 trlgG= -0.291768 logG= -0.028062 TDE= -0.170852 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004192 tlogG= -0.024129 logG= -0.028321 Density= 0.212090 ETOT(band)= -0.234552 trlgG= -0.293697 logG= -0.028321 TDE= -0.171051 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081541 ETOT(band)= -0.085736 trlgG= -0.106199 logG= -0.006483 TDE= -0.042478 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001245 tlogG= -0.005855 logG= -0.007100 Density= 0.080626 ETOT(band)= -0.087669 trlgG= -0.110163 logG= -0.007100 TDE= -0.042830 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005983 logG= -0.007231 Density= 0.081041 ETOT(band)= -0.087602 trlgG= -0.110411 logG= -0.007231 TDE= -0.042914 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.022290 logG= -0.027126 Density= 0.214192 ETOT(band)= -0.232600 trlgG= -0.289440 logG= -0.027126 TDE= -0.170239 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005088 tlogG= -0.023760 logG= -0.028848 Density= 0.216227 ETOT(band)= -0.233174 trlgG= -0.293396 logG= -0.028848 TDE= -0.171500 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005938 logG= -0.007188 Density= 0.080811 ETOT(band)= -0.087702 trlgG= -0.110360 logG= -0.007188 TDE= -0.042884 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.007965 logG= -0.009361 logGD-logG0= -0.005253 tlogG= -0.023897 logG= -0.029150 Density= 0.215591 ETOT(band)= -0.233903 trlgG= -0.294543 logG= -0.029150 TDE= -0.171508 Density= 0.070840 ETOT(band)= -0.078008 trlgG= -0.097456 logG= -0.009361 TDE= -0.056986 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.021876 logG= -0.026845 Density= 0.216574 ETOT(band)= -0.230426 trlgG= -0.286463 logG= -0.026845 TDE= -0.170297 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009389 tlogG= -0.047760 logG= -0.057149 Density= 0.427034 ETOT(band)= -0.468246 trlgG= -0.585834 logG= -0.057149 TDE= -0.341645 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009712 tlogG= -0.046395 logG= -0.056107 Density= 0.429403 ETOT(band)= -0.465866 trlgG= -0.581506 logG= -0.056107 TDE= -0.341474 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001159 tlogG= -0.005170 logG= -0.006329 Density= 0.062521 ETOT(band)= -0.067591 trlgG= -0.084206 logG= -0.006329 TDE= -0.042377 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005111 tlogG= -0.024000 logG= -0.029111 Density= 0.215632 ETOT(band)= -0.234000 trlgG= -0.294816 logG= -0.029111 TDE= -0.171651 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009435 tlogG= -0.047641 logG= -0.057076 Density= 0.426527 ETOT(band)= -0.468701 trlgG= -0.586988 logG= -0.057076 TDE= -0.341944 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023955 logG= -0.029023 Density= 0.216339 ETOT(band)= -0.233371 trlgG= -0.294099 logG= -0.029023 TDE= -0.171641 logGD-logG0= -0.004495 tlogG= -0.023887 logG= -0.028382 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213208 ETOT(band)= -0.234028 trlgG= -0.292494 logG= -0.028382 TDE= -0.170854 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001545 tlogG= -0.006872 logG= -0.008417 Density= 0.040840 ETOT(band)= -0.042697 trlgG= -0.052791 logG= -0.008417 TDE= -0.056486 logGD-logG0= -0.004838 tlogG= -0.021201 logG= -0.026039 Density= 0.216291 ETOT(band)= -0.230181 trlgG= -0.285518 logG= -0.026039 TDE= -0.169870 logGD-logG0= -0.004908 tlogG= -0.024154 logG= -0.029062 logGD-logG0= -0.004859 tlogG= -0.022901 logG= -0.027760 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214732 ETOT(band)= -0.232554 trlgG= -0.289683 logG= -0.027760 TDE= -0.170503 Density= 0.214680 ETOT(band)= -0.234320 trlgG= -0.294523 logG= -0.029062 TDE= -0.171308 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005075 tlogG= -0.023998 logG= -0.029073 Density= 0.216305 ETOT(band)= -0.233475 trlgG= -0.294332 logG= -0.029073 TDE= -0.171668 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023798 logG= -0.028943 Density= 0.215277 ETOT(band)= -0.233910 trlgG= -0.294160 logG= -0.028943 TDE= -0.171498 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023477 logG= -0.028621 Density= 0.215156 ETOT(band)= -0.233476 trlgG= -0.292897 logG= -0.028621 TDE= -0.171241 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023683 logG= -0.028985 Density= 0.215351 ETOT(band)= -0.233757 trlgG= -0.293847 logG= -0.028985 TDE= -0.171330 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008742 tlogG= -0.048090 logG= -0.056831 Density= 0.425379 ETOT(band)= -0.468686 trlgG= -0.586470 logG= -0.056831 TDE= -0.341922 logGD-logG0= -0.004662 tlogG= -0.024003 logG= -0.028666 Density= 0.321470 ETOT(band)= -0.351343 trlgG= -0.441332 logG= -0.028666 TDE= -0.171298 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009231 tlogG= -0.046706 logG= -0.055937 Density= 0.427752 ETOT(band)= -0.466452 trlgG= -0.581844 logG= -0.055937 TDE= -0.341365 logGD-logG0= -0.004966 tlogG= -0.023841 logG= -0.028807 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215440 ETOT(band)= -0.233904 trlgG= -0.294266 logG= -0.028807 TDE= -0.171187 logGD-logG0= -0.004573 tlogG= -0.023365 logG= -0.027938 Density= 0.321538 ETOT(band)= -0.350295 trlgG= -0.438755 logG= -0.027938 TDE= -0.170972 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.022965 logG= -0.028034 logGD-logG0= -0.005205 tlogG= -0.024121 logG= -0.029326 Density= 0.215665 ETOT(band)= -0.234156 trlgG= -0.295231 logG= -0.029326 TDE= -0.171684 logGD-logG0= -0.010179 tlogG= -0.047783 logG= -0.057963 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216172 ETOT(band)= -0.232224 trlgG= -0.290573 logG= -0.028034 TDE= -0.170973 Density= 0.324274 ETOT(band)= -0.350120 trlgG= -0.440998 logG= -0.057963 TDE= -0.343176 logGD-logG0= -0.005009 tlogG= -0.022435 logG= -0.027444 Density= 0.216316 ETOT(band)= -0.231425 trlgG= -0.288586 logG= -0.027444 TDE= -0.170638 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047232 logG= -0.057459 Density= 0.324054 ETOT(band)= -0.349756 trlgG= -0.439651 logG= -0.057459 TDE= -0.342784 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.021296 logG= -0.026093 Density= 0.162611 ETOT(band)= -0.173088 trlgG= -0.215899 logG= -0.026093 TDE= -0.169951 logGD-logG0= -0.004920 tlogG= -0.023240 logG= -0.028160 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010469 tlogG= -0.048035 logG= -0.058504 Density= 0.323164 ETOT(band)= -0.351204 trlgG= -0.442354 logG= -0.058504 TDE= -0.343172 Density= 0.321606 ETOT(band)= -0.350800 trlgG= -0.439608 logG= -0.028160 TDE= -0.170927 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.023413 logG= -0.028509 Density= 0.216146 ETOT(band)= -0.232797 trlgG= -0.292189 logG= -0.028509 TDE= -0.171261 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.045620 logG= -0.055579 logGD-logG0= -0.004934 tlogG= -0.024159 logG= -0.029093 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322351 ETOT(band)= -0.351447 trlgG= -0.442010 logG= -0.029093 TDE= -0.171303 Density= 0.323962 ETOT(band)= -0.348160 trlgG= -0.434946 logG= -0.055579 TDE= -0.341600 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010226 tlogG= -0.046410 logG= -0.056636 Density= 0.323916 ETOT(band)= -0.349102 trlgG= -0.437567 logG= -0.056636 TDE= -0.342226 logGD-logG0= -0.004724 tlogG= -0.023835 logG= -0.028559 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213502 ETOT(band)= -0.234312 trlgG= -0.293744 logG= -0.028559 TDE= -0.171122 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004629 tlogG= -0.024005 logG= -0.028634 Density= 0.214055 ETOT(band)= -0.234245 trlgG= -0.294128 logG= -0.028634 TDE= -0.171303 logGD-logG0= -0.009463 tlogG= -0.046599 logG= -0.056062 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322614 ETOT(band)= -0.349240 trlgG= -0.436388 logG= -0.056062 TDE= -0.341752 logGD-logG0= -0.005140 tlogG= -0.024079 logG= -0.029219 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322977 ETOT(band)= -0.351414 trlgG= -0.442660 logG= -0.029219 TDE= -0.171498 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.023957 logG= -0.029194 Density= 0.323580 ETOT(band)= -0.350872 trlgG= -0.442094 logG= -0.029194 TDE= -0.171556 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023349 logG= -0.028677 Density= 0.215047 ETOT(band)= -0.233503 trlgG= -0.292708 logG= -0.028677 TDE= -0.171037 logGD-logG0= -0.009420 tlogG= -0.047835 logG= -0.057255 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427903 ETOT(band)= -0.468476 trlgG= -0.587843 logG= -0.057255 TDE= -0.342411 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009923 tlogG= -0.048143 logG= -0.058066 Density= 0.429176 ETOT(band)= -0.468574 trlgG= -0.588608 logG= -0.058066 TDE= -0.342456 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010036 tlogG= -0.047662 logG= -0.057698 Density= 0.428158 ETOT(band)= -0.468456 trlgG= -0.587174 logG= -0.057698 TDE= -0.342052 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010269 tlogG= -0.048063 logG= -0.058332 Density= 0.430026 ETOT(band)= -0.468402 trlgG= -0.589049 logG= -0.058332 TDE= -0.342802 logGD-logG0= -0.010438 tlogG= -0.047720 logG= -0.058158 logGD-logG0= -0.010093 tlogG= -0.047951 logG= -0.058044 Density= 0.429079 ETOT(band)= -0.468537 trlgG= -0.588259 logG= -0.058044 TDE= -0.342301 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430637 ETOT(band)= -0.467818 trlgG= -0.588329 logG= -0.058158 TDE= -0.342818 logGD-logG0= -0.009282 tlogG= -0.046602 logG= -0.055885 Density= 0.427960 ETOT(band)= -0.467172 trlgG= -0.584449 logG= -0.055885 TDE= -0.341779 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010532 tlogG= -0.047692 logG= -0.058224 logGD-logG0= -0.010058 tlogG= -0.048215 logG= -0.058272 Density= 0.430981 ETOT(band)= -0.467757 trlgG= -0.588685 logG= -0.058224 TDE= -0.342924 Density= 0.429918 ETOT(band)= -0.468572 trlgG= -0.589378 logG= -0.058272 TDE= -0.342677 logGD-logG0= -0.009748 tlogG= -0.044614 logG= -0.054362 Density= 0.324204 ETOT(band)= -0.346889 trlgG= -0.431931 logG= -0.054362 TDE= -0.340920 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009596 tlogG= -0.047847 logG= -0.057444 Density= 0.429010 ETOT(band)= -0.468241 trlgG= -0.587805 logG= -0.057444 TDE= -0.342396 logGD-logG0= -0.001656 tlogG= -0.007115 logG= -0.008772 Density= 0.072212 ETOT(band)= -0.076526 trlgG= -0.094834 logG= -0.008772 TDE= -0.056646 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.022471 logG= -0.027277 Density= 0.214959 ETOT(band)= -0.231816 trlgG= -0.288036 logG= -0.027277 TDE= -0.170252 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010497 tlogG= -0.047259 logG= -0.057756 logGD-logG0= -0.009777 tlogG= -0.047554 logG= -0.057331 Density= 0.430364 ETOT(band)= -0.467396 trlgG= -0.586858 logG= -0.057756 TDE= -0.342433 Density= 0.428476 ETOT(band)= -0.467798 trlgG= -0.586208 logG= -0.057331 TDE= -0.342096 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010456 tlogG= -0.048017 logG= -0.058473 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431223 ETOT(band)= -0.468039 trlgG= -0.589678 logG= -0.058473 TDE= -0.343189 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010097 tlogG= -0.046923 logG= -0.057021 Density= 0.429756 ETOT(band)= -0.466777 trlgG= -0.584208 logG= -0.057021 TDE= -0.341768 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010021 tlogG= -0.047563 logG= -0.057584 Density= 0.429889 ETOT(band)= -0.467423 trlgG= -0.586138 logG= -0.057584 TDE= -0.342214 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009594 tlogG= -0.044619 logG= -0.054213 Density= 0.431490 ETOT(band)= -0.462376 trlgG= -0.574707 logG= -0.054213 TDE= -0.340559 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004724 tlogG= -0.022324 logG= -0.027048 Density= 0.322781 ETOT(band)= -0.348208 trlgG= -0.433997 logG= -0.027048 TDE= -0.170319 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081180 ETOT(band)= -0.086407 trlgG= -0.107362 logG= -0.006664 TDE= -0.042590 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004683 tlogG= -0.022324 logG= -0.027007 Density= 0.214965 ETOT(band)= -0.232106 trlgG= -0.289081 logG= -0.027007 TDE= -0.170325 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004879 tlogG= -0.021347 logG= -0.026226 Density= 0.216970 ETOT(band)= -0.229314 trlgG= -0.284255 logG= -0.026226 TDE= -0.169964 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.031615095431 eV TrLogG= -407.218540510880 eV Ratio to renormalize= 1.000316164033 rho-rho_expected=-0.006953410299 nargs= 1 argi=dmft2.def 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964791368520322 0.940683817783485 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002280 tlogG= -0.011446 logG= -0.013726 Density= 0.053721 ETOT(band)= -0.058107 trlgG= -0.072495 logG= -0.013726 TDE= -0.085353 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.024042 logG= -0.028484 Density= 0.106349 ETOT(band)= -0.117236 trlgG= -0.146792 logG= -0.028484 TDE= -0.170934 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.008044 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039105 trlgG= -0.048971 logG= -0.009414 TDE= -0.057025 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.004542 ETOT(band)= -0.004736 trlgG= -0.005851 logG= -0.001044 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.023213 logG= -0.028203 Density= 0.108168 ETOT(band)= -0.116269 trlgG= -0.145852 logG= -0.028203 TDE= -0.171176 logGD-logG0= -0.004603 tlogG= -0.023684 logG= -0.028288 logGD-logG0= -0.005007 tlogG= -0.022871 logG= -0.027878 Density= 0.107585 ETOT(band)= -0.116368 trlgG= -0.145329 logG= -0.027878 TDE= -0.170689 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106941 ETOT(band)= -0.116919 trlgG= -0.146479 logG= -0.028288 TDE= -0.171111 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023887 logG= -0.028690 logGD-logG0= -0.004244 tlogG= -0.023972 logG= -0.028216 Density= 0.106721 ETOT(band)= -0.117193 trlgG= -0.146903 logG= -0.028690 TDE= -0.171024 Density= 0.106128 ETOT(band)= -0.117206 trlgG= -0.146672 logG= -0.028216 TDE= -0.170973 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.022849 logG= -0.027484 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107264 ETOT(band)= -0.116312 trlgG= -0.145044 logG= -0.027484 TDE= -0.170639 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.022404 logG= -0.027312 logGD-logG0= -0.004604 tlogG= -0.022987 logG= -0.027591 Density= 0.106835 ETOT(band)= -0.116568 trlgG= -0.145199 logG= -0.027591 TDE= -0.170476 Density= 0.107603 ETOT(band)= -0.116035 trlgG= -0.144432 logG= -0.027312 TDE= -0.170367 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001451 tlogG= -0.007810 logG= -0.009261 Density= 0.035479 ETOT(band)= -0.038952 trlgG= -0.048606 logG= -0.009261 TDE= -0.056901 logGD-logG0= -0.004631 tlogG= -0.023496 logG= -0.028127 logGD-logG0= -0.002550 tlogG= -0.012030 logG= -0.014580 logGD-logG0= -0.002368 tlogG= -0.012081 logG= -0.014449 Density= 0.053568 ETOT(band)= -0.058583 trlgG= -0.073623 logG= -0.014449 TDE= -0.085682 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053748 ETOT(band)= -0.058570 trlgG= -0.073680 logG= -0.014580 TDE= -0.085697 Density= 0.106736 ETOT(band)= -0.116891 trlgG= -0.145945 logG= -0.028127 TDE= -0.170636 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010839 logG= -0.013248 Density= 0.054049 ETOT(band)= -0.057624 trlgG= -0.071534 logG= -0.013248 TDE= -0.085032 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004218 tlogG= -0.024049 logG= -0.028267 Density= 0.106076 ETOT(band)= -0.117250 trlgG= -0.146786 logG= -0.028267 TDE= -0.171011 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.023203 logG= -0.027720 logGD-logG0= -0.002505 tlogG= -0.011983 logG= -0.014488 Density= 0.106699 ETOT(band)= -0.116701 trlgG= -0.145462 logG= -0.027720 TDE= -0.170541 Density= 0.054125 ETOT(band)= -0.058328 trlgG= -0.073540 logG= -0.014488 TDE= -0.085836 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.022453 logG= -0.027384 Density= 0.108176 ETOT(band)= -0.115803 trlgG= -0.144548 logG= -0.027384 TDE= -0.170695 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.023948 logG= -0.028977 Density= 0.108203 ETOT(band)= -0.116681 trlgG= -0.147085 logG= -0.028977 TDE= -0.171652 logGD-logG0= -0.005039 tlogG= -0.023428 logG= -0.028466 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108104 ETOT(band)= -0.116446 trlgG= -0.146271 logG= -0.028466 TDE= -0.171300 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.023761 logG= -0.028804 Density= 0.108152 ETOT(band)= -0.116607 trlgG= -0.146807 logG= -0.028804 TDE= -0.171521 logGD-logG0= -0.005176 tlogG= -0.024067 logG= -0.029242 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107613 ETOT(band)= -0.117139 trlgG= -0.147506 logG= -0.029242 TDE= -0.171516 logGD-logG0= -0.002574 tlogG= -0.011987 logG= -0.014561 Density= 0.053969 ETOT(band)= -0.058451 trlgG= -0.073662 logG= -0.014561 TDE= -0.085808 logGD-logG0= -0.002273 tlogG= -0.011882 logG= -0.014155 logGD-logG0= -0.004998 tlogG= -0.022979 logG= -0.027977 Density= 0.053545 ETOT(band)= -0.058439 trlgG= -0.073261 logG= -0.014155 TDE= -0.085603 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108108 ETOT(band)= -0.116176 trlgG= -0.145497 logG= -0.027977 TDE= -0.171017 logGD-logG0= -0.004726 tlogG= -0.023685 logG= -0.028410 Density= 0.107347 ETOT(band)= -0.116796 trlgG= -0.146385 logG= -0.028410 TDE= -0.171095 logGD-logG0= -0.004848 tlogG= -0.022165 logG= -0.027013 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108333 ETOT(band)= -0.115496 trlgG= -0.143939 logG= -0.027013 TDE= -0.170534 logGD-logG0= -0.005182 tlogG= -0.023681 logG= -0.028863 Density= 0.107199 ETOT(band)= -0.117077 trlgG= -0.146839 logG= -0.028863 TDE= -0.171024 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.024089 logG= -0.028979 Density= 0.107348 ETOT(band)= -0.117107 trlgG= -0.147126 logG= -0.028979 TDE= -0.171268 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.023603 logG= -0.028623 logGD-logG0= -0.005214 tlogG= -0.024132 logG= -0.029346 Density= 0.108177 ETOT(band)= -0.116491 trlgG= -0.146515 logG= -0.028623 TDE= -0.171424 Density= 0.107783 ETOT(band)= -0.117134 trlgG= -0.147694 logG= -0.029346 TDE= -0.171684 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.024086 logG= -0.029267 logGD-logG0= -0.005017 tlogG= -0.023869 logG= -0.028886 Density= 0.107860 ETOT(band)= -0.117045 trlgG= -0.147567 logG= -0.029267 TDE= -0.171675 Density= 0.108224 ETOT(band)= -0.116617 trlgG= -0.146935 logG= -0.028886 TDE= -0.171604 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022730 logG= -0.027656 Density= 0.108222 ETOT(band)= -0.115939 trlgG= -0.144984 logG= -0.027656 TDE= -0.170882 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023963 logG= -0.029089 logGD-logG0= -0.004577 tlogG= -0.023665 logG= -0.028241 Density= 0.106560 ETOT(band)= -0.117040 trlgG= -0.146377 logG= -0.028241 TDE= -0.170867 Density= 0.107413 ETOT(band)= -0.117127 trlgG= -0.147233 logG= -0.029089 TDE= -0.171298 logGD-logG0= -0.004897 tlogG= -0.023637 logG= -0.028534 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106943 ETOT(band)= -0.117008 trlgG= -0.146290 logG= -0.028534 TDE= -0.170677 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023897 logG= -0.029105 Density= 0.107723 ETOT(band)= -0.117004 trlgG= -0.147289 logG= -0.029105 TDE= -0.171490 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.024067 logG= -0.028843 Density= 0.107022 ETOT(band)= -0.117171 trlgG= -0.147155 logG= -0.028843 TDE= -0.171272 logGD-logG0= -0.004759 tlogG= -0.022846 logG= -0.027605 Density= 0.107717 ETOT(band)= -0.116163 trlgG= -0.144915 logG= -0.027605 TDE= -0.170614 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023191 logG= -0.028390 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107653 ETOT(band)= -0.116616 trlgG= -0.146138 logG= -0.028390 TDE= -0.171020 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004715 tlogG= -0.020984 logG= -0.025699 Density= 0.108686 ETOT(band)= -0.114355 trlgG= -0.141649 logG= -0.025699 TDE= -0.169733 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035833 ETOT(band)= -0.038600 trlgG= -0.047906 logG= -0.008958 TDE= -0.056680 logGD-logG0= -0.005205 tlogG= -0.023578 logG= -0.028783 logGD-logG0= -0.009575 tlogG= -0.048239 logG= -0.057813 Density= 0.107771 ETOT(band)= -0.116776 trlgG= -0.146767 logG= -0.028783 TDE= -0.171315 logGD-logG0= -0.009260 tlogG= -0.045754 logG= -0.055015 Density= 0.214955 ETOT(band)= -0.232453 trlgG= -0.289987 logG= -0.055015 TDE= -0.341342 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214337 ETOT(band)= -0.234299 trlgG= -0.294382 logG= -0.057813 TDE= -0.342633 logGD-logG0= -0.001588 tlogG= -0.006990 logG= -0.008578 Density= 0.036188 ETOT(band)= -0.038148 trlgG= -0.047242 logG= -0.008578 TDE= -0.056571 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009540 tlogG= -0.045585 logG= -0.055125 Density= 0.214295 ETOT(band)= -0.232809 trlgG= -0.290169 logG= -0.055125 TDE= -0.341088 logGD-logG0= -0.009720 tlogG= -0.047896 logG= -0.057616 logGD-logG0= -0.009441 tlogG= -0.047155 logG= -0.056596 Density= 0.213696 ETOT(band)= -0.233898 trlgG= -0.292812 logG= -0.056596 TDE= -0.341963 logGD-logG0= -0.005167 tlogG= -0.023869 logG= -0.029035 logGD-logG0= -0.002349 tlogG= -0.010423 logG= -0.012772 Density= 0.213901 ETOT(band)= -0.234341 trlgG= -0.294074 logG= -0.057616 TDE= -0.342307 Density= 0.107888 ETOT(band)= -0.116871 trlgG= -0.147181 logG= -0.029035 TDE= -0.171534 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054366 ETOT(band)= -0.057104 trlgG= -0.070684 logG= -0.012772 TDE= -0.084816 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008902 tlogG= -0.047625 logG= -0.056527 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009334 tlogG= -0.047922 logG= -0.057255 Density= 0.213199 ETOT(band)= -0.234411 trlgG= -0.293531 logG= -0.057255 TDE= -0.341777 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005155 tlogG= -0.024057 logG= -0.029213 logGD-logG0= -0.010297 tlogG= -0.047741 logG= -0.058038 Density= 0.107919 ETOT(band)= -0.116977 trlgG= -0.147478 logG= -0.029213 TDE= -0.171669 logGD-logG0= -0.009213 tlogG= -0.047442 logG= -0.056656 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214245 ETOT(band)= -0.233724 trlgG= -0.292938 logG= -0.056656 TDE= -0.342301 Density= 0.214695 ETOT(band)= -0.234218 trlgG= -0.294220 logG= -0.058038 TDE= -0.342424 logGD-logG0= -0.009607 tlogG= -0.047145 logG= -0.056752 Density= 0.212848 ETOT(band)= -0.234205 trlgG= -0.292886 logG= -0.056527 TDE= -0.341686 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213707 ETOT(band)= -0.233942 trlgG= -0.292603 logG= -0.056752 TDE= -0.341604 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.047972 logG= -0.058074 Density= 0.215014 ETOT(band)= -0.234125 trlgG= -0.294312 logG= -0.058074 TDE= -0.342638 logGD-logG0= -0.009964 tlogG= -0.047653 logG= -0.057617 Density= 0.213881 ETOT(band)= -0.234328 trlgG= -0.293826 logG= -0.057617 TDE= -0.342049 logGD-logG0= -0.010334 tlogG= -0.048007 logG= -0.058342 Density= 0.215048 ETOT(band)= -0.234260 trlgG= -0.294756 logG= -0.058342 TDE= -0.342831 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010162 tlogG= -0.047780 logG= -0.057942 Density= 0.214594 ETOT(band)= -0.234213 trlgG= -0.294052 logG= -0.057942 TDE= -0.342301 logGD-logG0= -0.009646 tlogG= -0.045643 logG= -0.055289 Density= 0.215088 ETOT(band)= -0.232527 trlgG= -0.289977 logG= -0.055289 TDE= -0.341125 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010252 tlogG= -0.048074 logG= -0.058327 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215012 ETOT(band)= -0.234269 trlgG= -0.294729 logG= -0.058327 TDE= -0.342801 logGD-logG0= -0.009845 tlogG= -0.048023 logG= -0.057868 Density= 0.214468 ETOT(band)= -0.234244 trlgG= -0.294129 logG= -0.057868 TDE= -0.342391 logGD-logG0= -0.010384 tlogG= -0.047526 logG= -0.057910 logGD-logG0= -0.010401 tlogG= -0.046869 logG= -0.057270 Density= 0.215372 ETOT(band)= -0.233476 trlgG= -0.293055 logG= -0.057270 TDE= -0.342362 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215645 ETOT(band)= -0.233710 trlgG= -0.294095 logG= -0.057910 TDE= -0.342897 logGD-logG0= -0.010309 tlogG= -0.047939 logG= -0.058248 Density= 0.215843 ETOT(band)= -0.233824 trlgG= -0.294656 logG= -0.058248 TDE= -0.343218 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047299 logG= -0.057492 Density= 0.214196 ETOT(band)= -0.234117 trlgG= -0.293302 logG= -0.057492 TDE= -0.341805 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010448 tlogG= -0.048137 logG= -0.058585 Density= 0.215367 ETOT(band)= -0.234283 trlgG= -0.295191 logG= -0.058585 TDE= -0.343181 logGD-logG0= -0.010358 tlogG= -0.047412 logG= -0.057770 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010363 tlogG= -0.047888 logG= -0.058252 Density= 0.215411 ETOT(band)= -0.233753 trlgG= -0.293856 logG= -0.057770 TDE= -0.342683 Density= 0.215714 ETOT(band)= -0.233898 trlgG= -0.294659 logG= -0.058252 TDE= -0.343153 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009961 tlogG= -0.046404 logG= -0.056365 Density= 0.215155 ETOT(band)= -0.233088 trlgG= -0.291613 logG= -0.056365 TDE= -0.341718 logGD-logG0= -0.009569 tlogG= -0.047219 logG= -0.056788 Density= 0.214412 ETOT(band)= -0.233683 trlgG= -0.292709 logG= -0.056788 TDE= -0.342023 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009872 tlogG= -0.047144 logG= -0.057016 Density= 0.215091 ETOT(band)= -0.233490 trlgG= -0.292631 logG= -0.057016 TDE= -0.342053 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.021870 logG= -0.026753 Density= 0.108296 ETOT(band)= -0.115313 trlgG= -0.143489 logG= -0.026753 TDE= -0.170327 logGD-logG0= -0.004962 tlogG= -0.021815 logG= -0.026776 Density= 0.107758 ETOT(band)= -0.115606 trlgG= -0.143554 logG= -0.026776 TDE= -0.170102 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004796 tlogG= -0.021559 logG= -0.026355 Density= 0.108488 ETOT(band)= -0.114944 trlgG= -0.142807 logG= -0.026355 TDE= -0.170138 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004902 tlogG= -0.021691 logG= -0.026593 Density= 0.107902 ETOT(band)= -0.115412 trlgG= -0.143244 logG= -0.026593 TDE= -0.170045 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009799 tlogG= -0.043382 logG= -0.053181 Density= 0.216221 ETOT(band)= -0.230610 trlgG= -0.286460 logG= -0.053181 TDE= -0.340276 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001210 tlogG= -0.005618 logG= -0.006828 Density= 0.080815 ETOT(band)= -0.087023 trlgG= -0.108603 logG= -0.006828 TDE= -0.042687 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004470 tlogG= -0.023969 logG= -0.028439 Density= 0.212731 ETOT(band)= -0.234442 trlgG= -0.293489 logG= -0.028439 TDE= -0.170902 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.023413 logG= -0.028509 Density= 0.216145 ETOT(band)= -0.232796 trlgG= -0.292188 logG= -0.028509 TDE= -0.171260 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004380 tlogG= -0.023584 logG= -0.027963 Density= 0.212539 ETOT(band)= -0.234166 trlgG= -0.292744 logG= -0.027963 TDE= -0.170766 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004541 tlogG= -0.023368 logG= -0.027909 Density= 0.214116 ETOT(band)= -0.233531 trlgG= -0.292333 logG= -0.027909 TDE= -0.170980 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023189 logG= -0.028251 Density= 0.214805 ETOT(band)= -0.233106 trlgG= -0.291214 logG= -0.028251 TDE= -0.170692 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001159 tlogG= -0.005170 logG= -0.006329 Density= 0.062521 ETOT(band)= -0.067591 trlgG= -0.084206 logG= -0.006329 TDE= -0.042376 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004495 tlogG= -0.023886 logG= -0.028382 Density= 0.213207 ETOT(band)= -0.234027 trlgG= -0.292493 logG= -0.028382 TDE= -0.170854 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004859 tlogG= -0.022901 logG= -0.027760 logGD-logG0= -0.004724 tlogG= -0.023834 logG= -0.028559 Density= 0.214732 ETOT(band)= -0.232553 trlgG= -0.289681 logG= -0.027760 TDE= -0.170502 Density= 0.213502 ETOT(band)= -0.234311 trlgG= -0.293742 logG= -0.028559 TDE= -0.171121 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.007965 logG= -0.009361 Density= 0.070840 ETOT(band)= -0.078007 trlgG= -0.097455 logG= -0.009361 TDE= -0.056986 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005983 logG= -0.007231 Density= 0.081041 ETOT(band)= -0.087602 trlgG= -0.110411 logG= -0.007231 TDE= -0.042914 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004192 tlogG= -0.024129 logG= -0.028321 Density= 0.212089 ETOT(band)= -0.234551 trlgG= -0.293695 logG= -0.028321 TDE= -0.171050 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001245 tlogG= -0.005855 logG= -0.007100 Density= 0.080626 ETOT(band)= -0.087668 trlgG= -0.110162 logG= -0.007100 TDE= -0.042830 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081180 ETOT(band)= -0.086407 trlgG= -0.107361 logG= -0.006664 TDE= -0.042590 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005938 logG= -0.007188 Density= 0.080811 ETOT(band)= -0.087701 trlgG= -0.110360 logG= -0.007188 TDE= -0.042884 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001545 tlogG= -0.006872 logG= -0.008417 logGD-logG0= -0.004324 tlogG= -0.023737 logG= -0.028062 Density= 0.213010 ETOT(band)= -0.233754 trlgG= -0.291767 logG= -0.028062 TDE= -0.170851 Density= 0.040840 ETOT(band)= -0.042697 trlgG= -0.052791 logG= -0.008417 TDE= -0.056485 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005112 tlogG= -0.024000 logG= -0.029111 Density= 0.215631 ETOT(band)= -0.233999 trlgG= -0.294814 logG= -0.029111 TDE= -0.171650 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004683 tlogG= -0.022324 logG= -0.027007 Density= 0.214965 ETOT(band)= -0.232104 trlgG= -0.289080 logG= -0.027007 TDE= -0.170325 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005145 tlogG= -0.023798 logG= -0.028943 Density= 0.215277 ETOT(band)= -0.233909 trlgG= -0.294158 logG= -0.028943 TDE= -0.171498 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.022289 logG= -0.027126 Density= 0.214191 ETOT(band)= -0.232599 trlgG= -0.289439 logG= -0.027126 TDE= -0.170238 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001231 tlogG= -0.005747 logG= -0.006977 Density= 0.080613 ETOT(band)= -0.087453 trlgG= -0.109608 logG= -0.006977 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023998 logG= -0.029073 logGD-logG0= -0.005144 tlogG= -0.023477 logG= -0.028621 Density= 0.215156 ETOT(band)= -0.233475 trlgG= -0.292896 logG= -0.028621 TDE= -0.171240 logGD-logG0= -0.001535 tlogG= -0.007587 logG= -0.009123 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216305 ETOT(band)= -0.233475 trlgG= -0.294331 logG= -0.029073 TDE= -0.171667 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071474 ETOT(band)= -0.077399 trlgG= -0.096153 logG= -0.009123 TDE= -0.056761 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.024003 logG= -0.028665 Density= 0.321469 ETOT(band)= -0.351341 trlgG= -0.441330 logG= -0.028665 TDE= -0.171297 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023683 logG= -0.028984 Density= 0.215350 ETOT(band)= -0.233756 trlgG= -0.293845 logG= -0.028984 TDE= -0.171330 logGD-logG0= -0.005205 tlogG= -0.024121 logG= -0.029326 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215664 ETOT(band)= -0.234155 trlgG= -0.295230 logG= -0.029326 TDE= -0.171684 logGD-logG0= -0.004968 tlogG= -0.023954 logG= -0.028922 Density= 0.214275 ETOT(band)= -0.234250 trlgG= -0.293910 logG= -0.028922 TDE= -0.171135 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004573 tlogG= -0.023365 logG= -0.027938 Density= 0.321538 ETOT(band)= -0.350293 trlgG= -0.438753 logG= -0.027938 TDE= -0.170971 logGD-logG0= -0.004966 tlogG= -0.023841 logG= -0.028807 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215439 ETOT(band)= -0.233903 trlgG= -0.294265 logG= -0.028807 TDE= -0.171186 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009231 tlogG= -0.046706 logG= -0.055937 Density= 0.427751 ETOT(band)= -0.466450 trlgG= -0.581841 logG= -0.055937 TDE= -0.341364 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022435 logG= -0.027444 logGD-logG0= -0.009959 tlogG= -0.045619 logG= -0.055579 Density= 0.216316 ETOT(band)= -0.231425 trlgG= -0.288584 logG= -0.027444 TDE= -0.170637 Density= 0.323961 ETOT(band)= -0.348158 trlgG= -0.434944 logG= -0.055579 TDE= -0.341599 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010180 tlogG= -0.047783 logG= -0.057963 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023955 logG= -0.029023 Density= 0.324273 ETOT(band)= -0.350119 trlgG= -0.440996 logG= -0.057963 TDE= -0.343175 Density= 0.216339 ETOT(band)= -0.233370 trlgG= -0.294098 logG= -0.029023 TDE= -0.171640 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.022965 logG= -0.028034 Density= 0.216171 ETOT(band)= -0.232223 trlgG= -0.290572 logG= -0.028034 TDE= -0.170972 logGD-logG0= -0.005088 tlogG= -0.023760 logG= -0.028848 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216227 ETOT(band)= -0.233173 trlgG= -0.293394 logG= -0.028848 TDE= -0.171499 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.024079 logG= -0.029219 Density= 0.322976 ETOT(band)= -0.351413 trlgG= -0.442658 logG= -0.029219 TDE= -0.171497 logGD-logG0= -0.004908 tlogG= -0.024154 logG= -0.029062 Density= 0.214679 ETOT(band)= -0.234319 trlgG= -0.294522 logG= -0.029062 TDE= -0.171307 logGD-logG0= -0.010227 tlogG= -0.047232 logG= -0.057459 logGD-logG0= -0.004921 tlogG= -0.023240 logG= -0.028160 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009435 tlogG= -0.047640 logG= -0.057076 Density= 0.426526 ETOT(band)= -0.468699 trlgG= -0.586985 logG= -0.057076 TDE= -0.341942 Density= 0.324053 ETOT(band)= -0.349754 trlgG= -0.439650 logG= -0.057459 TDE= -0.342782 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321606 ETOT(band)= -0.350798 trlgG= -0.439606 logG= -0.028160 TDE= -0.170926 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010469 tlogG= -0.048035 logG= -0.058504 Density= 0.323163 ETOT(band)= -0.351202 trlgG= -0.442352 logG= -0.058504 TDE= -0.343170 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.024159 logG= -0.029093 logGD-logG0= -0.005253 tlogG= -0.023897 logG= -0.029150 Density= 0.215590 ETOT(band)= -0.233902 trlgG= -0.294542 logG= -0.029150 TDE= -0.171507 logGD-logG0= -0.004672 tlogG= -0.023242 logG= -0.027915 Density= 0.322351 ETOT(band)= -0.351445 trlgG= -0.442008 logG= -0.029093 TDE= -0.171302 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213426 ETOT(band)= -0.233779 trlgG= -0.292226 logG= -0.027915 TDE= -0.170816 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023877 logG= -0.028687 Density= 0.213718 ETOT(band)= -0.234170 trlgG= -0.293005 logG= -0.028687 TDE= -0.170865 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.046410 logG= -0.056636 Density= 0.323915 ETOT(band)= -0.349101 trlgG= -0.437565 logG= -0.056636 TDE= -0.342224 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009389 tlogG= -0.047760 logG= -0.057149 Density= 0.427033 ETOT(band)= -0.468244 trlgG= -0.585831 logG= -0.057149 TDE= -0.341644 logGD-logG0= -0.004629 tlogG= -0.024004 logG= -0.028634 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081541 ETOT(band)= -0.085736 trlgG= -0.106199 logG= -0.006483 TDE= -0.042478 Density= 0.214054 ETOT(band)= -0.234244 trlgG= -0.294126 logG= -0.028634 TDE= -0.171302 logGD-logG0= -0.009713 tlogG= -0.046394 logG= -0.056107 Density= 0.429402 ETOT(band)= -0.465864 trlgG= -0.581503 logG= -0.056107 TDE= -0.341473 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.023957 logG= -0.029194 Density= 0.323579 ETOT(band)= -0.350870 trlgG= -0.442092 logG= -0.029194 TDE= -0.171555 logGD-logG0= -0.009463 tlogG= -0.046598 logG= -0.056062 logGD-logG0= -0.004880 tlogG= -0.021346 logG= -0.026226 Density= 0.322614 ETOT(band)= -0.349238 trlgG= -0.436386 logG= -0.056062 TDE= -0.341751 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216970 ETOT(band)= -0.229313 trlgG= -0.284254 logG= -0.026226 TDE= -0.169964 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005328 tlogG= -0.023349 logG= -0.028677 Density= 0.215047 ETOT(band)= -0.233502 trlgG= -0.292707 logG= -0.028677 TDE= -0.171036 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009420 tlogG= -0.047835 logG= -0.057255 logGD-logG0= -0.009924 tlogG= -0.048143 logG= -0.058066 Density= 0.429176 ETOT(band)= -0.468572 trlgG= -0.588606 logG= -0.058066 TDE= -0.342455 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427902 ETOT(band)= -0.468473 trlgG= -0.587840 logG= -0.057255 TDE= -0.342409 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008742 tlogG= -0.048089 logG= -0.056831 Density= 0.425379 ETOT(band)= -0.468683 trlgG= -0.586467 logG= -0.056831 TDE= -0.341921 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010269 tlogG= -0.048063 logG= -0.058332 Density= 0.430025 ETOT(band)= -0.468399 trlgG= -0.589046 logG= -0.058332 TDE= -0.342801 logGD-logG0= -0.004797 tlogG= -0.021296 logG= -0.026093 Density= 0.162611 ETOT(band)= -0.173087 trlgG= -0.215898 logG= -0.026093 TDE= -0.169950 logGD-logG0= -0.010036 tlogG= -0.047662 logG= -0.057698 Density= 0.428158 ETOT(band)= -0.468453 trlgG= -0.587171 logG= -0.057698 TDE= -0.342051 logGD-logG0= -0.001656 tlogG= -0.007115 logG= -0.008772 Density= 0.072212 ETOT(band)= -0.076525 trlgG= -0.094833 logG= -0.008772 TDE= -0.056646 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009282 tlogG= -0.046602 logG= -0.055884 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.047950 logG= -0.058043 Density= 0.429078 ETOT(band)= -0.468535 trlgG= -0.588257 logG= -0.058043 TDE= -0.342299 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.047720 logG= -0.058158 Density= 0.427960 ETOT(band)= -0.467170 trlgG= -0.584446 logG= -0.055884 TDE= -0.341778 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010058 tlogG= -0.048214 logG= -0.058272 Density= 0.429917 ETOT(band)= -0.468570 trlgG= -0.589375 logG= -0.058272 TDE= -0.342675 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430636 ETOT(band)= -0.467816 trlgG= -0.588326 logG= -0.058158 TDE= -0.342816 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010532 tlogG= -0.047691 logG= -0.058223 Density= 0.430979 ETOT(band)= -0.467755 trlgG= -0.588683 logG= -0.058223 TDE= -0.342923 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.022470 logG= -0.027277 Density= 0.214958 ETOT(band)= -0.231815 trlgG= -0.288035 logG= -0.027277 TDE= -0.170252 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009597 tlogG= -0.047847 logG= -0.057444 Density= 0.429009 ETOT(band)= -0.468239 trlgG= -0.587802 logG= -0.057444 TDE= -0.342394 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010456 tlogG= -0.048017 logG= -0.058473 Density= 0.431222 ETOT(band)= -0.468037 trlgG= -0.589675 logG= -0.058473 TDE= -0.343188 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010497 tlogG= -0.047259 logG= -0.057756 Density= 0.430363 ETOT(band)= -0.467394 trlgG= -0.586855 logG= -0.057756 TDE= -0.342432 logGD-logG0= -0.009777 tlogG= -0.047554 logG= -0.057331 logGD-logG0= -0.004724 tlogG= -0.022324 logG= -0.027048 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428476 ETOT(band)= -0.467796 trlgG= -0.586205 logG= -0.057331 TDE= -0.342094 Density= 0.322780 ETOT(band)= -0.348206 trlgG= -0.433995 logG= -0.027048 TDE= -0.170319 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010098 tlogG= -0.046923 logG= -0.057021 Density= 0.429756 ETOT(band)= -0.466775 trlgG= -0.584206 logG= -0.057021 TDE= -0.341767 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010021 tlogG= -0.047562 logG= -0.057584 Density= 0.429888 ETOT(band)= -0.467421 trlgG= -0.586136 logG= -0.057584 TDE= -0.342213 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.044614 logG= -0.054362 Density= 0.324203 ETOT(band)= -0.346888 trlgG= -0.431929 logG= -0.054362 TDE= -0.340919 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.021875 logG= -0.026845 Density= 0.216573 ETOT(band)= -0.230425 trlgG= -0.286462 logG= -0.026845 TDE= -0.170296 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004838 tlogG= -0.021201 logG= -0.026039 Density= 0.216291 ETOT(band)= -0.230180 trlgG= -0.285516 logG= -0.026039 TDE= -0.169870 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009594 tlogG= -0.044619 logG= -0.054213 Density= 0.431489 ETOT(band)= -0.462374 trlgG= -0.574705 logG= -0.054213 TDE= -0.340557 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.030158219296 eV TrLogG= -407.216360547438 eV Ratio to renormalize= 1.000318201744 rho-rho_expected=-0.006998211521 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964803028884360 0.940695391889567 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004442 tlogG= -0.024042 logG= -0.028484 Density= 0.106349 ETOT(band)= -0.117235 trlgG= -0.146791 logG= -0.028484 TDE= -0.170934 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023680 logG= -0.028863 Density= 0.107198 ETOT(band)= -0.117076 trlgG= -0.146838 logG= -0.028863 TDE= -0.171023 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004577 tlogG= -0.023664 logG= -0.028241 Density= 0.106560 ETOT(band)= -0.117039 trlgG= -0.146376 logG= -0.028241 TDE= -0.170866 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023684 logG= -0.028287 Density= 0.106941 ETOT(band)= -0.116918 trlgG= -0.146478 logG= -0.028287 TDE= -0.171110 logGD-logG0= -0.004897 tlogG= -0.023637 logG= -0.028534 Density= 0.106943 ETOT(band)= -0.117007 trlgG= -0.146289 logG= -0.028534 TDE= -0.170676 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023190 logG= -0.028389 logGD-logG0= -0.004776 tlogG= -0.024066 logG= -0.028843 Density= 0.107022 ETOT(band)= -0.117171 trlgG= -0.147154 logG= -0.028843 TDE= -0.171271 Density= 0.107653 ETOT(band)= -0.116615 trlgG= -0.146137 logG= -0.028389 TDE= -0.171020 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010839 logG= -0.013248 Density= 0.054049 ETOT(band)= -0.057624 trlgG= -0.071533 logG= -0.013248 TDE= -0.085031 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.004542 ETOT(band)= -0.004735 trlgG= -0.005851 logG= -0.001044 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002273 tlogG= -0.011882 logG= -0.014155 Density= 0.053545 ETOT(band)= -0.058439 trlgG= -0.073260 logG= -0.014155 TDE= -0.085602 logGD-logG0= -0.002368 tlogG= -0.012081 logG= -0.014448 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053568 ETOT(band)= -0.058582 trlgG= -0.073622 logG= -0.014448 TDE= -0.085682 logGD-logG0= -0.002550 tlogG= -0.012030 logG= -0.014580 Density= 0.053747 ETOT(band)= -0.058569 trlgG= -0.073680 logG= -0.014580 TDE= -0.085696 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002280 tlogG= -0.011446 logG= -0.013726 Density= 0.053721 ETOT(band)= -0.058106 trlgG= -0.072495 logG= -0.013726 TDE= -0.085353 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001451 tlogG= -0.007810 logG= -0.009261 Density= 0.035479 ETOT(band)= -0.038952 trlgG= -0.048605 logG= -0.009261 TDE= -0.056901 logGD-logG0= -0.001370 tlogG= -0.008044 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039105 trlgG= -0.048971 logG= -0.009414 TDE= -0.057025 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004218 tlogG= -0.024049 logG= -0.028266 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106076 ETOT(band)= -0.117249 trlgG= -0.146785 logG= -0.028266 TDE= -0.171010 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004245 tlogG= -0.023972 logG= -0.028216 Density= 0.106128 ETOT(band)= -0.117205 trlgG= -0.146671 logG= -0.028216 TDE= -0.170972 logGD-logG0= -0.002505 tlogG= -0.011983 logG= -0.014487 Density= 0.054125 ETOT(band)= -0.058328 trlgG= -0.073539 logG= -0.014487 TDE= -0.085836 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.024066 logG= -0.029242 Density= 0.107613 ETOT(band)= -0.117139 trlgG= -0.147505 logG= -0.029242 TDE= -0.171515 logGD-logG0= -0.005039 tlogG= -0.023427 logG= -0.028466 Density= 0.108104 ETOT(band)= -0.116445 trlgG= -0.146270 logG= -0.028466 TDE= -0.171299 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.022404 logG= -0.027312 Density= 0.107603 ETOT(band)= -0.116034 trlgG= -0.144431 logG= -0.027312 TDE= -0.170366 logGD-logG0= -0.004604 tlogG= -0.022986 logG= -0.027590 Density= 0.106835 ETOT(band)= -0.116568 trlgG= -0.145198 logG= -0.027590 TDE= -0.170475 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.022979 logG= -0.027977 logGD-logG0= -0.004931 tlogG= -0.022453 logG= -0.027384 Density= 0.108176 ETOT(band)= -0.115802 trlgG= -0.144547 logG= -0.027384 TDE= -0.170695 logGD-logG0= -0.005043 tlogG= -0.023761 logG= -0.028804 Density= 0.108151 ETOT(band)= -0.116606 trlgG= -0.146806 logG= -0.028804 TDE= -0.171521 Density= 0.108108 ETOT(band)= -0.116175 trlgG= -0.145496 logG= -0.027977 TDE= -0.171016 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.023948 logG= -0.028977 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108203 ETOT(band)= -0.116680 trlgG= -0.147084 logG= -0.028977 TDE= -0.171651 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004631 tlogG= -0.023496 logG= -0.028127 Density= 0.106736 ETOT(band)= -0.116891 trlgG= -0.145944 logG= -0.028127 TDE= -0.170635 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022165 logG= -0.027013 Density= 0.108332 ETOT(band)= -0.115495 trlgG= -0.143938 logG= -0.027013 TDE= -0.170533 logGD-logG0= -0.005020 tlogG= -0.023602 logG= -0.028622 logGD-logG0= -0.004889 tlogG= -0.024089 logG= -0.028978 Density= 0.107348 ETOT(band)= -0.117106 trlgG= -0.147125 logG= -0.028978 TDE= -0.171268 Density= 0.108177 ETOT(band)= -0.116491 trlgG= -0.146514 logG= -0.028622 TDE= -0.171423 logGD-logG0= -0.004759 tlogG= -0.022845 logG= -0.027604 Density= 0.107717 ETOT(band)= -0.116162 trlgG= -0.144914 logG= -0.027604 TDE= -0.170613 logGD-logG0= -0.004990 tlogG= -0.023212 logG= -0.028203 Density= 0.108167 ETOT(band)= -0.116268 trlgG= -0.145851 logG= -0.028203 TDE= -0.171175 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002574 tlogG= -0.011987 logG= -0.014561 Density= 0.053969 ETOT(band)= -0.058450 trlgG= -0.073662 logG= -0.014561 TDE= -0.085808 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022730 logG= -0.027656 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108221 ETOT(band)= -0.115938 trlgG= -0.144983 logG= -0.027656 TDE= -0.170881 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.023869 logG= -0.028886 logGD-logG0= -0.005125 tlogG= -0.023963 logG= -0.029088 Density= 0.108223 ETOT(band)= -0.116616 trlgG= -0.146935 logG= -0.028886 TDE= -0.171603 logGD-logG0= -0.005181 tlogG= -0.024086 logG= -0.029267 Density= 0.107413 ETOT(band)= -0.117126 trlgG= -0.147232 logG= -0.029088 TDE= -0.171297 Density= 0.107860 ETOT(band)= -0.117044 trlgG= -0.147566 logG= -0.029267 TDE= -0.171674 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023897 logG= -0.029105 Density= 0.107723 ETOT(band)= -0.117004 trlgG= -0.147288 logG= -0.029105 TDE= -0.171490 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.022870 logG= -0.027878 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107585 ETOT(band)= -0.116368 trlgG= -0.145328 logG= -0.027878 TDE= -0.170688 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023887 logG= -0.028689 Density= 0.106721 ETOT(band)= -0.117192 trlgG= -0.146902 logG= -0.028689 TDE= -0.171023 logGD-logG0= -0.002349 tlogG= -0.010423 logG= -0.012772 logGD-logG0= -0.004726 tlogG= -0.023684 logG= -0.028410 Density= 0.054366 ETOT(band)= -0.057104 trlgG= -0.070684 logG= -0.012772 TDE= -0.084815 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107346 ETOT(band)= -0.116796 trlgG= -0.146384 logG= -0.028410 TDE= -0.171094 logGD-logG0= -0.005156 tlogG= -0.024057 logG= -0.029212 Density= 0.107919 ETOT(band)= -0.116976 trlgG= -0.147477 logG= -0.029212 TDE= -0.171668 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.022849 logG= -0.027484 Density= 0.107263 ETOT(band)= -0.116311 trlgG= -0.145043 logG= -0.027484 TDE= -0.170638 logGD-logG0= -0.005214 tlogG= -0.024132 logG= -0.029346 Density= 0.107782 ETOT(band)= -0.117133 trlgG= -0.147693 logG= -0.029346 TDE= -0.171683 logGD-logG0= -0.005205 tlogG= -0.023578 logG= -0.028783 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107771 ETOT(band)= -0.116775 trlgG= -0.146766 logG= -0.028783 TDE= -0.171314 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009261 tlogG= -0.045754 logG= -0.055014 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214954 ETOT(band)= -0.232452 trlgG= -0.289985 logG= -0.055014 TDE= -0.341340 logGD-logG0= -0.001654 tlogG= -0.007303 logG= -0.008958 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035833 ETOT(band)= -0.038600 trlgG= -0.047906 logG= -0.008958 TDE= -0.056680 logGD-logG0= -0.009540 tlogG= -0.045585 logG= -0.055125 Density= 0.214295 ETOT(band)= -0.232807 trlgG= -0.290167 logG= -0.055125 TDE= -0.341086 logGD-logG0= -0.009575 tlogG= -0.048238 logG= -0.057813 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214336 ETOT(band)= -0.234297 trlgG= -0.294380 logG= -0.057813 TDE= -0.342632 logGD-logG0= -0.001588 tlogG= -0.006990 logG= -0.008578 Density= 0.036188 ETOT(band)= -0.038148 trlgG= -0.047242 logG= -0.008578 TDE= -0.056571 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009441 tlogG= -0.047154 logG= -0.056596 Density= 0.213696 ETOT(band)= -0.233897 trlgG= -0.292810 logG= -0.056596 TDE= -0.341962 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009607 tlogG= -0.047145 logG= -0.056752 Density= 0.213707 ETOT(band)= -0.233940 trlgG= -0.292601 logG= -0.056752 TDE= -0.341602 logGD-logG0= -0.009721 tlogG= -0.047895 logG= -0.057616 logGD-logG0= -0.008902 tlogG= -0.047624 logG= -0.056527 Density= 0.212848 ETOT(band)= -0.234204 trlgG= -0.292884 logG= -0.056527 TDE= -0.341685 logGD-logG0= -0.009334 tlogG= -0.047921 logG= -0.057255 Density= 0.213199 ETOT(band)= -0.234409 trlgG= -0.293529 logG= -0.057255 TDE= -0.341776 Density= 0.213901 ETOT(band)= -0.234339 trlgG= -0.294072 logG= -0.057616 TDE= -0.342305 logGD-logG0= -0.010297 tlogG= -0.047740 logG= -0.058037 Density= 0.214695 ETOT(band)= -0.234217 trlgG= -0.294218 logG= -0.058037 TDE= -0.342423 logGD-logG0= -0.009213 tlogG= -0.047442 logG= -0.056655 Density= 0.214245 ETOT(band)= -0.233723 trlgG= -0.292936 logG= -0.056655 TDE= -0.342299 logGD-logG0= -0.010253 tlogG= -0.048074 logG= -0.058326 Density= 0.215011 ETOT(band)= -0.234268 trlgG= -0.294727 logG= -0.058326 TDE= -0.342799 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.023202 logG= -0.027720 logGD-logG0= -0.010335 tlogG= -0.048007 logG= -0.058341 logGD-logG0= -0.009646 tlogG= -0.045642 logG= -0.055288 Density= 0.215087 ETOT(band)= -0.232526 trlgG= -0.289975 logG= -0.055288 TDE= -0.341123 Density= 0.215048 ETOT(band)= -0.234259 trlgG= -0.294754 logG= -0.058341 TDE= -0.342829 Density= 0.106699 ETOT(band)= -0.116700 trlgG= -0.145461 logG= -0.027720 TDE= -0.170540 logGD-logG0= -0.005167 tlogG= -0.023868 logG= -0.029035 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009845 tlogG= -0.048023 logG= -0.057867 Density= 0.214468 ETOT(band)= -0.234243 trlgG= -0.294128 logG= -0.057867 TDE= -0.342390 logGD-logG0= -0.010162 tlogG= -0.047780 logG= -0.057942 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214593 ETOT(band)= -0.234212 trlgG= -0.294050 logG= -0.057942 TDE= -0.342299 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107888 ETOT(band)= -0.116870 trlgG= -0.147180 logG= -0.029035 TDE= -0.171533 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.047971 logG= -0.058073 Density= 0.215014 ETOT(band)= -0.234123 trlgG= -0.294310 logG= -0.058073 TDE= -0.342637 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010401 tlogG= -0.046869 logG= -0.057269 logGD-logG0= -0.010193 tlogG= -0.047299 logG= -0.057491 Density= 0.214196 ETOT(band)= -0.234116 trlgG= -0.293300 logG= -0.057491 TDE= -0.341803 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.047652 logG= -0.057616 Density= 0.215372 ETOT(band)= -0.233475 trlgG= -0.293053 logG= -0.057269 TDE= -0.342361 logGD-logG0= -0.009961 tlogG= -0.046403 logG= -0.056364 Density= 0.215155 ETOT(band)= -0.233087 trlgG= -0.291611 logG= -0.056364 TDE= -0.341716 Density= 0.213881 ETOT(band)= -0.234326 trlgG= -0.293824 logG= -0.057616 TDE= -0.342047 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010448 tlogG= -0.048136 logG= -0.058585 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215366 ETOT(band)= -0.234282 trlgG= -0.295189 logG= -0.058585 TDE= -0.343179 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010358 tlogG= -0.047411 logG= -0.057769 logGD-logG0= -0.010309 tlogG= -0.047939 logG= -0.058248 Density= 0.215411 ETOT(band)= -0.233751 trlgG= -0.293854 logG= -0.057769 TDE= -0.342681 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215842 ETOT(band)= -0.233823 trlgG= -0.294654 logG= -0.058248 TDE= -0.343216 logGD-logG0= -0.010384 tlogG= -0.047526 logG= -0.057910 Density= 0.215645 ETOT(band)= -0.233708 trlgG= -0.294093 logG= -0.057910 TDE= -0.342895 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009569 tlogG= -0.047218 logG= -0.056787 logGD-logG0= -0.010364 tlogG= -0.047888 logG= -0.058251 Density= 0.215713 ETOT(band)= -0.233897 trlgG= -0.294657 logG= -0.058251 TDE= -0.343152 Density= 0.214412 ETOT(band)= -0.233682 trlgG= -0.292707 logG= -0.056787 TDE= -0.342022 logGD-logG0= -0.004796 tlogG= -0.021559 logG= -0.026355 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108488 ETOT(band)= -0.114944 trlgG= -0.142807 logG= -0.026355 TDE= -0.170137 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009872 tlogG= -0.047144 logG= -0.057016 Density= 0.215091 ETOT(band)= -0.233489 trlgG= -0.292629 logG= -0.057016 TDE= -0.342051 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004715 tlogG= -0.020984 logG= -0.025698 Density= 0.108686 ETOT(band)= -0.114354 trlgG= -0.141648 logG= -0.025698 TDE= -0.169733 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004882 tlogG= -0.021870 logG= -0.026752 Density= 0.108296 ETOT(band)= -0.115312 trlgG= -0.143488 logG= -0.026752 TDE= -0.170326 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004962 tlogG= -0.021814 logG= -0.026776 Density= 0.107758 ETOT(band)= -0.115605 trlgG= -0.143553 logG= -0.026776 TDE= -0.170101 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004902 tlogG= -0.021691 logG= -0.026593 Density= 0.107902 ETOT(band)= -0.115411 trlgG= -0.143243 logG= -0.026593 TDE= -0.170045 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009799 tlogG= -0.043381 logG= -0.053181 Density= 0.216221 ETOT(band)= -0.230609 trlgG= -0.286458 logG= -0.053181 TDE= -0.340275 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004968 tlogG= -0.023954 logG= -0.028922 Density= 0.214275 ETOT(band)= -0.234249 trlgG= -0.293908 logG= -0.028922 TDE= -0.171134 logGD-logG0= -0.004470 tlogG= -0.023969 logG= -0.028438 Density= 0.212731 ETOT(band)= -0.234440 trlgG= -0.293487 logG= -0.028438 TDE= -0.170901 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004673 tlogG= -0.023242 logG= -0.027915 Density= 0.213426 ETOT(band)= -0.233777 trlgG= -0.292224 logG= -0.027915 TDE= -0.170816 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.023877 logG= -0.028687 Density= 0.213718 ETOT(band)= -0.234168 trlgG= -0.293003 logG= -0.028687 TDE= -0.170865 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004629 tlogG= -0.024004 logG= -0.028634 Density= 0.214054 ETOT(band)= -0.234242 trlgG= -0.294124 logG= -0.028634 TDE= -0.171301 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023349 logG= -0.028677 Density= 0.215046 ETOT(band)= -0.233501 trlgG= -0.292705 logG= -0.028677 TDE= -0.171035 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004542 tlogG= -0.023368 logG= -0.027909 Density= 0.214116 ETOT(band)= -0.233529 trlgG= -0.292331 logG= -0.027909 TDE= -0.170979 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081180 ETOT(band)= -0.086407 trlgG= -0.107361 logG= -0.006664 TDE= -0.042589 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005938 logG= -0.007188 Density= 0.080810 ETOT(band)= -0.087701 trlgG= -0.110359 logG= -0.007188 TDE= -0.042884 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001245 tlogG= -0.005855 logG= -0.007100 Density= 0.080626 ETOT(band)= -0.087668 trlgG= -0.110162 logG= -0.007100 TDE= -0.042829 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001231 tlogG= -0.005747 logG= -0.006977 Density= 0.080613 ETOT(band)= -0.087453 trlgG= -0.109607 logG= -0.006977 TDE= -0.042764 logGD-logG0= -0.001210 tlogG= -0.005618 logG= -0.006828 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004192 tlogG= -0.024129 logG= -0.028320 Density= 0.212089 ETOT(band)= -0.234549 trlgG= -0.293693 logG= -0.028320 TDE= -0.171049 Density= 0.080815 ETOT(band)= -0.087022 trlgG= -0.108602 logG= -0.006828 TDE= -0.042687 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.007965 logG= -0.009361 Density= 0.070840 ETOT(band)= -0.078007 trlgG= -0.097454 logG= -0.009361 TDE= -0.056986 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005983 logG= -0.007231 Density= 0.081041 ETOT(band)= -0.087601 trlgG= -0.110410 logG= -0.007231 TDE= -0.042914 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004380 tlogG= -0.023583 logG= -0.027963 Density= 0.212539 ETOT(band)= -0.234164 trlgG= -0.292742 logG= -0.027963 TDE= -0.170765 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023886 logG= -0.028381 Density= 0.213207 ETOT(band)= -0.234026 trlgG= -0.292491 logG= -0.028381 TDE= -0.170853 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.023999 logG= -0.029111 Density= 0.215631 ETOT(band)= -0.233998 trlgG= -0.294812 logG= -0.029111 TDE= -0.171649 logGD-logG0= -0.005146 tlogG= -0.023797 logG= -0.028943 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215276 ETOT(band)= -0.233907 trlgG= -0.294156 logG= -0.028943 TDE= -0.171497 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001545 tlogG= -0.006872 logG= -0.008417 logGD-logG0= -0.004859 tlogG= -0.022901 logG= -0.027760 Density= 0.214732 ETOT(band)= -0.232552 trlgG= -0.289679 logG= -0.027760 TDE= -0.170502 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040840 ETOT(band)= -0.042697 trlgG= -0.052791 logG= -0.008417 TDE= -0.056485 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001535 tlogG= -0.007587 logG= -0.009123 Density= 0.071474 ETOT(band)= -0.077399 trlgG= -0.096152 logG= -0.009123 TDE= -0.056761 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023997 logG= -0.029073 logGD-logG0= -0.004966 tlogG= -0.023840 logG= -0.028806 Density= 0.216304 ETOT(band)= -0.233473 trlgG= -0.294329 logG= -0.029073 TDE= -0.171667 logGD-logG0= -0.005144 tlogG= -0.023477 logG= -0.028620 Density= 0.215155 ETOT(band)= -0.233474 trlgG= -0.292894 logG= -0.028620 TDE= -0.171240 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215439 ETOT(band)= -0.233902 trlgG= -0.294263 logG= -0.028806 TDE= -0.171186 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.024003 logG= -0.028665 Density= 0.321468 ETOT(band)= -0.351339 trlgG= -0.441327 logG= -0.028665 TDE= -0.171296 logGD-logG0= -0.004934 tlogG= -0.024159 logG= -0.029093 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322350 ETOT(band)= -0.351443 trlgG= -0.442005 logG= -0.029093 TDE= -0.171301 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.024121 logG= -0.029326 Density= 0.215664 ETOT(band)= -0.234154 trlgG= -0.295228 logG= -0.029326 TDE= -0.171683 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.023412 logG= -0.028508 Density= 0.216145 ETOT(band)= -0.232794 trlgG= -0.292186 logG= -0.028508 TDE= -0.171259 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081540 ETOT(band)= -0.085735 trlgG= -0.106198 logG= -0.006483 TDE= -0.042478 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005088 tlogG= -0.023760 logG= -0.028848 logGD-logG0= -0.005069 tlogG= -0.022965 logG= -0.028034 Density= 0.216226 ETOT(band)= -0.233172 trlgG= -0.293392 logG= -0.028848 TDE= -0.171498 logGD-logG0= -0.010180 tlogG= -0.047782 logG= -0.057962 Density= 0.216171 ETOT(band)= -0.232221 trlgG= -0.290570 logG= -0.028034 TDE= -0.170971 Density= 0.324273 ETOT(band)= -0.350117 trlgG= -0.440993 logG= -0.057962 TDE= -0.343173 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.024154 logG= -0.029062 logGD-logG0= -0.005068 tlogG= -0.023954 logG= -0.029023 Density= 0.216338 ETOT(band)= -0.233369 trlgG= -0.294096 logG= -0.029023 TDE= -0.171640 logGD-logG0= -0.004574 tlogG= -0.023364 logG= -0.027938 Density= 0.321537 ETOT(band)= -0.350291 trlgG= -0.438750 logG= -0.027938 TDE= -0.170971 Density= 0.214679 ETOT(band)= -0.234317 trlgG= -0.294520 logG= -0.029062 TDE= -0.171306 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022435 logG= -0.027444 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216315 ETOT(band)= -0.231423 trlgG= -0.288583 logG= -0.027444 TDE= -0.170636 logGD-logG0= -0.010469 tlogG= -0.048034 logG= -0.058503 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323162 ETOT(band)= -0.351200 trlgG= -0.442350 logG= -0.058503 TDE= -0.343168 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.045619 logG= -0.055578 Density= 0.323960 ETOT(band)= -0.348156 trlgG= -0.434941 logG= -0.055578 TDE= -0.341597 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047231 logG= -0.057458 Density= 0.324052 ETOT(band)= -0.349752 trlgG= -0.439647 logG= -0.057458 TDE= -0.342781 logGD-logG0= -0.005140 tlogG= -0.024079 logG= -0.029219 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322976 ETOT(band)= -0.351411 trlgG= -0.442655 logG= -0.029219 TDE= -0.171497 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.046409 logG= -0.056636 Density= 0.323914 ETOT(band)= -0.349099 trlgG= -0.437562 logG= -0.056636 TDE= -0.342222 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.046598 logG= -0.056061 Density= 0.322613 ETOT(band)= -0.349236 trlgG= -0.436383 logG= -0.056061 TDE= -0.341749 logGD-logG0= -0.005301 tlogG= -0.023683 logG= -0.028984 Density= 0.215350 ETOT(band)= -0.233755 trlgG= -0.293843 logG= -0.028984 TDE= -0.171329 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023834 logG= -0.028558 Density= 0.213502 ETOT(band)= -0.234309 trlgG= -0.293740 logG= -0.028558 TDE= -0.171120 logGD-logG0= -0.009713 tlogG= -0.046394 logG= -0.056106 logGD-logG0= -0.009389 tlogG= -0.047759 logG= -0.057148 Density= 0.429401 ETOT(band)= -0.465862 trlgG= -0.581499 logG= -0.056106 TDE= -0.341471 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427032 ETOT(band)= -0.468241 trlgG= -0.585827 logG= -0.057148 TDE= -0.341642 logGD-logG0= -0.004921 tlogG= -0.023240 logG= -0.028160 Density= 0.321605 ETOT(band)= -0.350796 trlgG= -0.439603 logG= -0.028160 TDE= -0.170926 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023897 logG= -0.029150 Density= 0.215590 ETOT(band)= -0.233900 trlgG= -0.294540 logG= -0.029150 TDE= -0.171506 logGD-logG0= -0.001159 tlogG= -0.005170 logG= -0.006329 Density= 0.062521 ETOT(band)= -0.067590 trlgG= -0.084205 logG= -0.006329 TDE= -0.042376 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023189 logG= -0.028251 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214804 ETOT(band)= -0.233104 trlgG= -0.291212 logG= -0.028251 TDE= -0.170691 logGD-logG0= -0.009231 tlogG= -0.046705 logG= -0.055937 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427750 ETOT(band)= -0.466447 trlgG= -0.581837 logG= -0.055937 TDE= -0.341362 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009924 tlogG= -0.048142 logG= -0.058066 Density= 0.429175 ETOT(band)= -0.468570 trlgG= -0.588602 logG= -0.058066 TDE= -0.342453 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.023956 logG= -0.029194 Density= 0.323579 ETOT(band)= -0.350868 trlgG= -0.442089 logG= -0.029194 TDE= -0.171555 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009420 tlogG= -0.047834 logG= -0.057254 logGD-logG0= -0.010036 tlogG= -0.047661 logG= -0.057697 Density= 0.428157 ETOT(band)= -0.468451 trlgG= -0.587167 logG= -0.057697 TDE= -0.342049 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427901 ETOT(band)= -0.468471 trlgG= -0.587836 logG= -0.057254 TDE= -0.342408 logGD-logG0= -0.008742 tlogG= -0.048089 logG= -0.056831 logGD-logG0= -0.004837 tlogG= -0.022289 logG= -0.027126 Density= 0.214191 ETOT(band)= -0.232597 trlgG= -0.289437 logG= -0.027126 TDE= -0.170238 Density= 0.425378 ETOT(band)= -0.468680 trlgG= -0.586463 logG= -0.056831 TDE= -0.341919 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001656 tlogG= -0.007115 logG= -0.008772 Density= 0.072212 ETOT(band)= -0.076525 trlgG= -0.094833 logG= -0.008772 TDE= -0.056646 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009283 tlogG= -0.046601 logG= -0.055884 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427959 ETOT(band)= -0.467167 trlgG= -0.584442 logG= -0.055884 TDE= -0.341776 logGD-logG0= -0.010058 tlogG= -0.048214 logG= -0.058272 Density= 0.429916 ETOT(band)= -0.468567 trlgG= -0.589371 logG= -0.058272 TDE= -0.342673 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.047950 logG= -0.058043 Density= 0.429077 ETOT(band)= -0.468532 trlgG= -0.588253 logG= -0.058043 TDE= -0.342297 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.021296 logG= -0.026093 Density= 0.162611 ETOT(band)= -0.173086 trlgG= -0.215897 logG= -0.026093 TDE= -0.169949 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009597 tlogG= -0.047846 logG= -0.057443 logGD-logG0= -0.010438 tlogG= -0.047719 logG= -0.058157 Density= 0.430635 ETOT(band)= -0.467814 trlgG= -0.588322 logG= -0.058157 TDE= -0.342815 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429008 ETOT(band)= -0.468236 trlgG= -0.587798 logG= -0.057443 TDE= -0.342393 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009435 tlogG= -0.047640 logG= -0.057075 Density= 0.426525 ETOT(band)= -0.468696 trlgG= -0.586980 logG= -0.057075 TDE= -0.341940 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010269 tlogG= -0.048062 logG= -0.058331 Density= 0.430024 ETOT(band)= -0.468397 trlgG= -0.589042 logG= -0.058331 TDE= -0.342799 logGD-logG0= -0.010533 tlogG= -0.047690 logG= -0.058223 Density= 0.430979 ETOT(band)= -0.467753 trlgG= -0.588679 logG= -0.058223 TDE= -0.342921 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.022470 logG= -0.027277 Density= 0.214958 ETOT(band)= -0.231814 trlgG= -0.288033 logG= -0.027277 TDE= -0.170251 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009749 tlogG= -0.044613 logG= -0.054362 Density= 0.324203 ETOT(band)= -0.346886 trlgG= -0.431926 logG= -0.054362 TDE= -0.340917 logGD-logG0= -0.010098 tlogG= -0.046922 logG= -0.057020 Density= 0.429755 ETOT(band)= -0.466773 trlgG= -0.584202 logG= -0.057020 TDE= -0.341765 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009777 tlogG= -0.047553 logG= -0.057331 Density= 0.428475 ETOT(band)= -0.467793 trlgG= -0.586202 logG= -0.057331 TDE= -0.342093 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010457 tlogG= -0.048016 logG= -0.058472 Density= 0.431221 ETOT(band)= -0.468034 trlgG= -0.589672 logG= -0.058472 TDE= -0.343186 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010497 tlogG= -0.047259 logG= -0.057756 Density= 0.430362 ETOT(band)= -0.467392 trlgG= -0.586851 logG= -0.057756 TDE= -0.342430 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.022324 logG= -0.027048 Density= 0.322780 ETOT(band)= -0.348204 trlgG= -0.433993 logG= -0.027048 TDE= -0.170318 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004324 tlogG= -0.023737 logG= -0.028062 Density= 0.213010 ETOT(band)= -0.233752 trlgG= -0.291765 logG= -0.028062 TDE= -0.170850 logGD-logG0= -0.010022 tlogG= -0.047562 logG= -0.057583 Density= 0.429887 ETOT(band)= -0.467418 trlgG= -0.586132 logG= -0.057583 TDE= -0.342211 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.021875 logG= -0.026844 Density= 0.216573 ETOT(band)= -0.230424 trlgG= -0.286460 logG= -0.026844 TDE= -0.170295 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.021346 logG= -0.026226 Density= 0.216969 ETOT(band)= -0.229312 trlgG= -0.284252 logG= -0.026226 TDE= -0.169963 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004684 tlogG= -0.022323 logG= -0.027007 Density= 0.214965 ETOT(band)= -0.232103 trlgG= -0.289078 logG= -0.027007 TDE= -0.170324 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004838 tlogG= -0.021201 logG= -0.026039 Density= 0.216290 ETOT(band)= -0.230178 trlgG= -0.285515 logG= -0.026039 TDE= -0.169869 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009595 tlogG= -0.044618 logG= -0.054213 Density= 0.431489 ETOT(band)= -0.462371 trlgG= -0.574701 logG= -0.054213 TDE= -0.340556 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.028280166350 eV TrLogG= -407.213336693159 eV Ratio to renormalize= 1.000320159359 rho-rho_expected=-0.007041251577 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964787797094117 0.940677939669334 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002273 tlogG= -0.011882 logG= -0.014155 Density= 0.053545 ETOT(band)= -0.058439 trlgG= -0.073260 logG= -0.014155 TDE= -0.085602 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001044 Density= 0.004542 ETOT(band)= -0.004735 trlgG= -0.005851 logG= -0.001044 TDE= -0.007055 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002550 tlogG= -0.012030 logG= -0.014580 Density= 0.053747 ETOT(band)= -0.058569 trlgG= -0.073680 logG= -0.014580 TDE= -0.085696 logGD-logG0= -0.002280 tlogG= -0.011446 logG= -0.013726 Density= 0.053721 ETOT(band)= -0.058107 trlgG= -0.072495 logG= -0.013726 TDE= -0.085353 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002368 tlogG= -0.012081 logG= -0.014449 Density= 0.053568 ETOT(band)= -0.058582 trlgG= -0.073622 logG= -0.014449 TDE= -0.085682 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001370 tlogG= -0.008044 logG= -0.009414 Density= 0.035299 ETOT(band)= -0.039105 trlgG= -0.048971 logG= -0.009414 TDE= -0.057025 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001451 tlogG= -0.007810 logG= -0.009261 Density= 0.035479 ETOT(band)= -0.038952 trlgG= -0.048605 logG= -0.009261 TDE= -0.056901 logGD-logG0= -0.002505 tlogG= -0.011983 logG= -0.014488 Density= 0.054125 ETOT(band)= -0.058328 trlgG= -0.073540 logG= -0.014488 TDE= -0.085836 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.024066 logG= -0.029242 Density= 0.107613 ETOT(band)= -0.117139 trlgG= -0.147505 logG= -0.029242 TDE= -0.171515 logGD-logG0= -0.005043 tlogG= -0.023761 logG= -0.028804 Density= 0.108151 ETOT(band)= -0.116606 trlgG= -0.146806 logG= -0.028804 TDE= -0.171521 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002574 tlogG= -0.011987 logG= -0.014561 Density= 0.053969 ETOT(band)= -0.058450 trlgG= -0.073662 logG= -0.014561 TDE= -0.085808 logGD-logG0= -0.005029 tlogG= -0.023948 logG= -0.028977 logGD-logG0= -0.004245 tlogG= -0.023972 logG= -0.028216 Density= 0.108203 ETOT(band)= -0.116681 trlgG= -0.147084 logG= -0.028977 TDE= -0.171651 logGD-logG0= -0.004848 tlogG= -0.022165 logG= -0.027013 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.023685 logG= -0.028410 Density= 0.107346 ETOT(band)= -0.116796 trlgG= -0.146384 logG= -0.028410 TDE= -0.171094 Density= 0.108332 ETOT(band)= -0.115495 trlgG= -0.143938 logG= -0.027013 TDE= -0.170533 Density= 0.106128 ETOT(band)= -0.117205 trlgG= -0.146671 logG= -0.028216 TDE= -0.170972 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004518 tlogG= -0.023202 logG= -0.027720 Density= 0.106699 ETOT(band)= -0.116700 trlgG= -0.145461 logG= -0.027720 TDE= -0.170541 logGD-logG0= -0.004442 tlogG= -0.024042 logG= -0.028484 logGD-logG0= -0.004998 tlogG= -0.022979 logG= -0.027977 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106349 ETOT(band)= -0.117235 trlgG= -0.146791 logG= -0.028484 TDE= -0.170934 Density= 0.108107 ETOT(band)= -0.116176 trlgG= -0.145496 logG= -0.027977 TDE= -0.171016 logGD-logG0= -0.005214 tlogG= -0.024132 logG= -0.029346 logGD-logG0= -0.005181 tlogG= -0.024086 logG= -0.029267 Density= 0.107860 ETOT(band)= -0.117044 trlgG= -0.147567 logG= -0.029267 TDE= -0.171674 Density= 0.107782 ETOT(band)= -0.117133 trlgG= -0.147693 logG= -0.029346 TDE= -0.171683 logGD-logG0= -0.004931 tlogG= -0.022453 logG= -0.027384 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108176 ETOT(band)= -0.115803 trlgG= -0.144548 logG= -0.027384 TDE= -0.170695 logGD-logG0= -0.005039 tlogG= -0.023428 logG= -0.028466 Density= 0.108104 ETOT(band)= -0.116445 trlgG= -0.146271 logG= -0.028466 TDE= -0.171299 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.022404 logG= -0.027312 Density= 0.107603 ETOT(band)= -0.116035 trlgG= -0.144431 logG= -0.027312 TDE= -0.170366 logGD-logG0= -0.005183 tlogG= -0.023680 logG= -0.028863 logGD-logG0= -0.005125 tlogG= -0.023963 logG= -0.029088 Density= 0.107413 ETOT(band)= -0.117127 trlgG= -0.147232 logG= -0.029088 TDE= -0.171297 logGD-logG0= -0.004990 tlogG= -0.023212 logG= -0.028203 logGD-logG0= -0.005208 tlogG= -0.023897 logG= -0.029105 Density= 0.108167 ETOT(band)= -0.116268 trlgG= -0.145851 logG= -0.028203 TDE= -0.171175 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107723 ETOT(band)= -0.117004 trlgG= -0.147288 logG= -0.029105 TDE= -0.171490 logGD-logG0= -0.005017 tlogG= -0.023869 logG= -0.028886 Density= 0.108223 ETOT(band)= -0.116616 trlgG= -0.146935 logG= -0.028886 TDE= -0.171603 Density= 0.107198 ETOT(band)= -0.117076 trlgG= -0.146839 logG= -0.028863 TDE= -0.171023 logGD-logG0= -0.004897 tlogG= -0.023637 logG= -0.028534 Density= 0.106943 ETOT(band)= -0.117007 trlgG= -0.146290 logG= -0.028534 TDE= -0.170677 logGD-logG0= -0.004890 tlogG= -0.024089 logG= -0.028978 Density= 0.107348 ETOT(band)= -0.117106 trlgG= -0.147125 logG= -0.028978 TDE= -0.171268 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022730 logG= -0.027656 Density= 0.108221 ETOT(band)= -0.115939 trlgG= -0.144984 logG= -0.027656 TDE= -0.170881 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.023603 logG= -0.028623 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108177 ETOT(band)= -0.116491 trlgG= -0.146514 logG= -0.028623 TDE= -0.171423 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.022870 logG= -0.027878 Density= 0.107585 ETOT(band)= -0.116368 trlgG= -0.145328 logG= -0.027878 TDE= -0.170688 logGD-logG0= -0.004604 tlogG= -0.022986 logG= -0.027591 Density= 0.106835 ETOT(band)= -0.116568 trlgG= -0.145198 logG= -0.027591 TDE= -0.170475 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023887 logG= -0.028690 Density= 0.106721 ETOT(band)= -0.117192 trlgG= -0.146902 logG= -0.028690 TDE= -0.171023 logGD-logG0= -0.004759 tlogG= -0.022846 logG= -0.027605 Density= 0.107717 ETOT(band)= -0.116163 trlgG= -0.144914 logG= -0.027605 TDE= -0.170613 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.024066 logG= -0.028843 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.024057 logG= -0.029213 Density= 0.107919 ETOT(band)= -0.116976 trlgG= -0.147477 logG= -0.029213 TDE= -0.171668 Density= 0.107022 ETOT(band)= -0.117171 trlgG= -0.147154 logG= -0.028843 TDE= -0.171272 logGD-logG0= -0.004631 tlogG= -0.023496 logG= -0.028127 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023869 logG= -0.029035 Density= 0.107888 ETOT(band)= -0.116870 trlgG= -0.147180 logG= -0.029035 TDE= -0.171533 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004218 tlogG= -0.024049 logG= -0.028266 logGD-logG0= -0.004604 tlogG= -0.023684 logG= -0.028288 Density= 0.106941 ETOT(band)= -0.116919 trlgG= -0.146478 logG= -0.028288 TDE= -0.171110 Density= 0.106076 ETOT(band)= -0.117249 trlgG= -0.146785 logG= -0.028266 TDE= -0.171010 Density= 0.106736 ETOT(band)= -0.116891 trlgG= -0.145944 logG= -0.028127 TDE= -0.170635 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.022849 logG= -0.027484 Density= 0.107263 ETOT(band)= -0.116311 trlgG= -0.145043 logG= -0.027484 TDE= -0.170638 logGD-logG0= -0.005199 tlogG= -0.023190 logG= -0.028390 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107653 ETOT(band)= -0.116615 trlgG= -0.146137 logG= -0.028390 TDE= -0.171020 logGD-logG0= -0.004577 tlogG= -0.023664 logG= -0.028241 Density= 0.106560 ETOT(band)= -0.117039 trlgG= -0.146376 logG= -0.028241 TDE= -0.170866 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.023578 logG= -0.028783 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107771 ETOT(band)= -0.116775 trlgG= -0.146766 logG= -0.028783 TDE= -0.171314 logGD-logG0= -0.009575 tlogG= -0.048238 logG= -0.057813 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009441 tlogG= -0.047155 logG= -0.056596 logGD-logG0= -0.009540 tlogG= -0.045585 logG= -0.055125 Density= 0.214295 ETOT(band)= -0.232808 trlgG= -0.290168 logG= -0.055125 TDE= -0.341086 Density= 0.213696 ETOT(band)= -0.233897 trlgG= -0.292810 logG= -0.056596 TDE= -0.341962 Density= 0.214336 ETOT(band)= -0.234297 trlgG= -0.294381 logG= -0.057813 TDE= -0.342632 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009261 tlogG= -0.045754 logG= -0.055015 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214954 ETOT(band)= -0.232452 trlgG= -0.289985 logG= -0.055015 TDE= -0.341341 logGD-logG0= -0.008902 tlogG= -0.047625 logG= -0.056527 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212848 ETOT(band)= -0.234204 trlgG= -0.292884 logG= -0.056527 TDE= -0.341685 logGD-logG0= -0.009721 tlogG= -0.047896 logG= -0.057616 Density= 0.213901 ETOT(band)= -0.234340 trlgG= -0.294073 logG= -0.057616 TDE= -0.342305 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009334 tlogG= -0.047921 logG= -0.057255 Density= 0.213199 ETOT(band)= -0.234410 trlgG= -0.293530 logG= -0.057255 TDE= -0.341776 logGD-logG0= -0.010102 tlogG= -0.047972 logG= -0.058074 Density= 0.215014 ETOT(band)= -0.234124 trlgG= -0.294311 logG= -0.058074 TDE= -0.342637 logGD-logG0= -0.010253 tlogG= -0.048074 logG= -0.058327 logGD-logG0= -0.002349 tlogG= -0.010423 logG= -0.012772 Density= 0.215011 ETOT(band)= -0.234268 trlgG= -0.294728 logG= -0.058327 TDE= -0.342799 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010297 tlogG= -0.047740 logG= -0.058038 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009214 tlogG= -0.047442 logG= -0.056656 Density= 0.214245 ETOT(band)= -0.233723 trlgG= -0.292936 logG= -0.056656 TDE= -0.342300 Density= 0.214695 ETOT(band)= -0.234217 trlgG= -0.294219 logG= -0.058038 TDE= -0.342423 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054366 ETOT(band)= -0.057104 trlgG= -0.070684 logG= -0.012772 TDE= -0.084815 logGD-logG0= -0.009646 tlogG= -0.045642 logG= -0.055289 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215087 ETOT(band)= -0.232526 trlgG= -0.289976 logG= -0.055289 TDE= -0.341123 logGD-logG0= -0.009964 tlogG= -0.047653 logG= -0.057617 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213881 ETOT(band)= -0.234327 trlgG= -0.293825 logG= -0.057617 TDE= -0.342047 logGD-logG0= -0.010335 tlogG= -0.048007 logG= -0.058342 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010162 tlogG= -0.047780 logG= -0.057942 Density= 0.214593 ETOT(band)= -0.234212 trlgG= -0.294050 logG= -0.057942 TDE= -0.342300 Density= 0.215048 ETOT(band)= -0.234259 trlgG= -0.294755 logG= -0.058342 TDE= -0.342829 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001588 tlogG= -0.006990 logG= -0.008578 logGD-logG0= -0.010309 tlogG= -0.047939 logG= -0.058248 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001654 tlogG= -0.007304 logG= -0.008958 Density= 0.215842 ETOT(band)= -0.233823 trlgG= -0.294655 logG= -0.058248 TDE= -0.343216 Density= 0.035833 ETOT(band)= -0.038600 trlgG= -0.047906 logG= -0.008958 TDE= -0.056680 logGD-logG0= -0.010401 tlogG= -0.046869 logG= -0.057270 logGD-logG0= -0.009845 tlogG= -0.048023 logG= -0.057868 Density= 0.215372 ETOT(band)= -0.233475 trlgG= -0.293054 logG= -0.057270 TDE= -0.342361 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.036188 ETOT(band)= -0.038148 trlgG= -0.047242 logG= -0.008578 TDE= -0.056571 logGD-logG0= -0.010384 tlogG= -0.047526 logG= -0.057910 Density= 0.214468 ETOT(band)= -0.234243 trlgG= -0.294128 logG= -0.057868 TDE= -0.342390 logGD-logG0= -0.010358 tlogG= -0.047411 logG= -0.057770 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215411 ETOT(band)= -0.233752 trlgG= -0.293855 logG= -0.057770 TDE= -0.342681 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215645 ETOT(band)= -0.233709 trlgG= -0.294093 logG= -0.057910 TDE= -0.342895 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047299 logG= -0.057492 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214195 ETOT(band)= -0.234116 trlgG= -0.293301 logG= -0.057492 TDE= -0.341804 logGD-logG0= -0.010448 tlogG= -0.048137 logG= -0.058585 logGD-logG0= -0.009961 tlogG= -0.046404 logG= -0.056365 Density= 0.215366 ETOT(band)= -0.234282 trlgG= -0.295190 logG= -0.058585 TDE= -0.343179 Density= 0.215155 ETOT(band)= -0.233087 trlgG= -0.291612 logG= -0.056365 TDE= -0.341717 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010839 logG= -0.013248 Density= 0.054049 ETOT(band)= -0.057624 trlgG= -0.071533 logG= -0.013248 TDE= -0.085031 logGD-logG0= -0.009570 tlogG= -0.047218 logG= -0.056788 Density= 0.214412 ETOT(band)= -0.233682 trlgG= -0.292708 logG= -0.056788 TDE= -0.342022 logGD-logG0= -0.010364 tlogG= -0.047888 logG= -0.058252 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215713 ETOT(band)= -0.233897 trlgG= -0.294658 logG= -0.058252 TDE= -0.343152 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009872 tlogG= -0.047144 logG= -0.057016 Density= 0.215091 ETOT(band)= -0.233489 trlgG= -0.292630 logG= -0.057016 TDE= -0.342052 logGD-logG0= -0.009607 tlogG= -0.047145 logG= -0.056752 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213707 ETOT(band)= -0.233941 trlgG= -0.292602 logG= -0.056752 TDE= -0.341602 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.021870 logG= -0.026753 Density= 0.108296 ETOT(band)= -0.115312 trlgG= -0.143489 logG= -0.026753 TDE= -0.170326 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004796 tlogG= -0.021559 logG= -0.026355 Density= 0.108488 ETOT(band)= -0.114944 trlgG= -0.142807 logG= -0.026355 TDE= -0.170137 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004715 tlogG= -0.020984 logG= -0.025699 Density= 0.108686 ETOT(band)= -0.114354 trlgG= -0.141648 logG= -0.025699 TDE= -0.169733 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004962 tlogG= -0.021814 logG= -0.026776 Density= 0.107758 ETOT(band)= -0.115605 trlgG= -0.143554 logG= -0.026776 TDE= -0.170101 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004902 tlogG= -0.021691 logG= -0.026593 Density= 0.107902 ETOT(band)= -0.115412 trlgG= -0.143243 logG= -0.026593 TDE= -0.170045 logGD-logG0= -0.009799 tlogG= -0.043382 logG= -0.053181 Density= 0.216221 ETOT(band)= -0.230609 trlgG= -0.286459 logG= -0.053181 TDE= -0.340275 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001231 tlogG= -0.005747 logG= -0.006977 Density= 0.080613 ETOT(band)= -0.087453 trlgG= -0.109607 logG= -0.006977 TDE= -0.042764 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001210 tlogG= -0.005618 logG= -0.006828 Density= 0.080815 ETOT(band)= -0.087023 trlgG= -0.108603 logG= -0.006828 TDE= -0.042687 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005938 logG= -0.007188 Density= 0.080810 ETOT(band)= -0.087701 trlgG= -0.110359 logG= -0.007188 TDE= -0.042884 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001245 tlogG= -0.005855 logG= -0.007100 Density= 0.080626 ETOT(band)= -0.087668 trlgG= -0.110162 logG= -0.007100 TDE= -0.042829 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005983 logG= -0.007231 Density= 0.081041 ETOT(band)= -0.087601 trlgG= -0.110410 logG= -0.007231 TDE= -0.042914 logGD-logG0= -0.005112 tlogG= -0.024000 logG= -0.029111 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215631 ETOT(band)= -0.233998 trlgG= -0.294813 logG= -0.029111 TDE= -0.171650 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023477 logG= -0.028620 Density= 0.215155 ETOT(band)= -0.233474 trlgG= -0.292895 logG= -0.028620 TDE= -0.171240 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023798 logG= -0.028943 Density= 0.215276 ETOT(band)= -0.233908 trlgG= -0.294157 logG= -0.028943 TDE= -0.171497 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.023998 logG= -0.029073 Density= 0.216304 ETOT(band)= -0.233474 trlgG= -0.294330 logG= -0.029073 TDE= -0.171667 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.024121 logG= -0.029326 Density= 0.215663 ETOT(band)= -0.234154 trlgG= -0.295229 logG= -0.029326 TDE= -0.171683 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004325 tlogG= -0.023737 logG= -0.028062 logGD-logG0= -0.004662 tlogG= -0.024003 logG= -0.028665 logGD-logG0= -0.004966 tlogG= -0.023841 logG= -0.028807 Density= 0.321468 ETOT(band)= -0.351340 trlgG= -0.441328 logG= -0.028665 TDE= -0.171296 Density= 0.215439 ETOT(band)= -0.233902 trlgG= -0.294264 logG= -0.028807 TDE= -0.171186 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213010 ETOT(band)= -0.233753 trlgG= -0.291765 logG= -0.028062 TDE= -0.170851 logGD-logG0= -0.005009 tlogG= -0.022435 logG= -0.027444 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216315 ETOT(band)= -0.231424 trlgG= -0.288583 logG= -0.027444 TDE= -0.170636 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.024154 logG= -0.029062 logGD-logG0= -0.010180 tlogG= -0.047782 logG= -0.057962 Density= 0.214679 ETOT(band)= -0.234318 trlgG= -0.294520 logG= -0.029062 TDE= -0.171307 logGD-logG0= -0.004968 tlogG= -0.023954 logG= -0.028922 Density= 0.214275 ETOT(band)= -0.234249 trlgG= -0.293908 logG= -0.028922 TDE= -0.171134 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004380 tlogG= -0.023584 logG= -0.027963 Density= 0.212539 ETOT(band)= -0.234164 trlgG= -0.292743 logG= -0.027963 TDE= -0.170766 Density= 0.324272 ETOT(band)= -0.350117 trlgG= -0.440994 logG= -0.057962 TDE= -0.343173 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001159 tlogG= -0.005170 logG= -0.006329 Density= 0.062521 ETOT(band)= -0.067590 trlgG= -0.084205 logG= -0.006329 TDE= -0.042376 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.023413 logG= -0.028508 Density= 0.216144 ETOT(band)= -0.232795 trlgG= -0.292187 logG= -0.028508 TDE= -0.171259 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.022965 logG= -0.028034 Density= 0.216171 ETOT(band)= -0.232222 trlgG= -0.290570 logG= -0.028034 TDE= -0.170971 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.024159 logG= -0.029093 Density= 0.322350 ETOT(band)= -0.351444 trlgG= -0.442005 logG= -0.029093 TDE= -0.171301 logGD-logG0= -0.004574 tlogG= -0.023364 logG= -0.027938 Density= 0.321537 ETOT(band)= -0.350292 trlgG= -0.438751 logG= -0.027938 TDE= -0.170971 logGD-logG0= -0.005068 tlogG= -0.023954 logG= -0.029023 logGD-logG0= -0.004810 tlogG= -0.023877 logG= -0.028687 Density= 0.216338 ETOT(band)= -0.233369 trlgG= -0.294097 logG= -0.029023 TDE= -0.171640 logGD-logG0= -0.004470 tlogG= -0.023969 logG= -0.028439 Density= 0.212731 ETOT(band)= -0.234441 trlgG= -0.293487 logG= -0.028439 TDE= -0.170901 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023897 logG= -0.029150 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213718 ETOT(band)= -0.234169 trlgG= -0.293004 logG= -0.028687 TDE= -0.170865 logGD-logG0= -0.010469 tlogG= -0.048034 logG= -0.058504 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215590 ETOT(band)= -0.233901 trlgG= -0.294540 logG= -0.029150 TDE= -0.171506 logGD-logG0= -0.004921 tlogG= -0.023240 logG= -0.028160 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323162 ETOT(band)= -0.351201 trlgG= -0.442350 logG= -0.058504 TDE= -0.343169 logGD-logG0= -0.005140 tlogG= -0.024079 logG= -0.029219 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322975 ETOT(band)= -0.351411 trlgG= -0.442656 logG= -0.029219 TDE= -0.171497 Density= 0.321605 ETOT(band)= -0.350797 trlgG= -0.439603 logG= -0.028160 TDE= -0.170926 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023760 logG= -0.028848 Density= 0.216226 ETOT(band)= -0.233173 trlgG= -0.293393 logG= -0.028848 TDE= -0.171499 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001545 tlogG= -0.006872 logG= -0.008417 logGD-logG0= -0.004859 tlogG= -0.022901 logG= -0.027760 Density= 0.214732 ETOT(band)= -0.232552 trlgG= -0.289680 logG= -0.027760 TDE= -0.170502 Density= 0.040840 ETOT(band)= -0.042697 trlgG= -0.052791 logG= -0.008417 TDE= -0.056485 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004725 tlogG= -0.023834 logG= -0.028559 Density= 0.213502 ETOT(band)= -0.234310 trlgG= -0.293741 logG= -0.028559 TDE= -0.171120 logGD-logG0= -0.009959 tlogG= -0.045619 logG= -0.055579 logGD-logG0= -0.010227 tlogG= -0.047231 logG= -0.057458 Density= 0.324052 ETOT(band)= -0.349753 trlgG= -0.439648 logG= -0.057458 TDE= -0.342781 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023886 logG= -0.028382 Density= 0.213207 ETOT(band)= -0.234026 trlgG= -0.292491 logG= -0.028382 TDE= -0.170853 Density= 0.323960 ETOT(band)= -0.348157 trlgG= -0.434943 logG= -0.055579 TDE= -0.341597 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.023956 logG= -0.029194 Density= 0.323579 ETOT(band)= -0.350869 trlgG= -0.442090 logG= -0.029194 TDE= -0.171555 logGD-logG0= -0.004629 tlogG= -0.024004 logG= -0.028634 Density= 0.214054 ETOT(band)= -0.234243 trlgG= -0.294125 logG= -0.028634 TDE= -0.171301 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023189 logG= -0.028251 Density= 0.214804 ETOT(band)= -0.233105 trlgG= -0.291213 logG= -0.028251 TDE= -0.170691 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.046598 logG= -0.056062 logGD-logG0= -0.009231 tlogG= -0.046706 logG= -0.055937 Density= 0.427750 ETOT(band)= -0.466448 trlgG= -0.581838 logG= -0.055937 TDE= -0.341362 Density= 0.322613 ETOT(band)= -0.349237 trlgG= -0.436384 logG= -0.056062 TDE= -0.341749 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.046409 logG= -0.056636 logGD-logG0= -0.008742 tlogG= -0.048089 logG= -0.056831 Density= 0.323914 ETOT(band)= -0.349099 trlgG= -0.437563 logG= -0.056636 TDE= -0.342223 Density= 0.425378 ETOT(band)= -0.468681 trlgG= -0.586464 logG= -0.056831 TDE= -0.341919 logGD-logG0= -0.005301 tlogG= -0.023683 logG= -0.028984 Density= 0.215350 ETOT(band)= -0.233755 trlgG= -0.293844 logG= -0.028984 TDE= -0.171329 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001536 tlogG= -0.007587 logG= -0.009123 logGD-logG0= -0.009420 tlogG= -0.047834 logG= -0.057255 Density= 0.427901 ETOT(band)= -0.468471 trlgG= -0.587837 logG= -0.057255 TDE= -0.342408 logGD-logG0= -0.009283 tlogG= -0.046602 logG= -0.055884 Density= 0.427959 ETOT(band)= -0.467168 trlgG= -0.584443 logG= -0.055884 TDE= -0.341776 Density= 0.071474 ETOT(band)= -0.077399 trlgG= -0.096153 logG= -0.009123 TDE= -0.056761 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004542 tlogG= -0.023368 logG= -0.027909 Density= 0.214116 ETOT(band)= -0.233530 trlgG= -0.292331 logG= -0.027909 TDE= -0.170979 logGD-logG0= -0.005328 tlogG= -0.023349 logG= -0.028677 Density= 0.215046 ETOT(band)= -0.233501 trlgG= -0.292706 logG= -0.028677 TDE= -0.171035 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010269 tlogG= -0.048062 logG= -0.058331 Density= 0.430024 ETOT(band)= -0.468397 trlgG= -0.589044 logG= -0.058331 TDE= -0.342799 logGD-logG0= -0.004797 tlogG= -0.021296 logG= -0.026093 Density= 0.162611 ETOT(band)= -0.173086 trlgG= -0.215898 logG= -0.026093 TDE= -0.169949 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010438 tlogG= -0.047719 logG= -0.058158 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430635 ETOT(band)= -0.467814 trlgG= -0.588324 logG= -0.058158 TDE= -0.342815 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.047950 logG= -0.058043 Density= 0.429077 ETOT(band)= -0.468533 trlgG= -0.588254 logG= -0.058043 TDE= -0.342298 logGD-logG0= -0.009924 tlogG= -0.048142 logG= -0.058066 Density= 0.429175 ETOT(band)= -0.468570 trlgG= -0.588603 logG= -0.058066 TDE= -0.342453 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010036 tlogG= -0.047661 logG= -0.057697 Density= 0.428157 ETOT(band)= -0.468451 trlgG= -0.587169 logG= -0.057697 TDE= -0.342049 logGD-logG0= -0.010058 tlogG= -0.048214 logG= -0.058272 Density= 0.429916 ETOT(band)= -0.468568 trlgG= -0.589373 logG= -0.058272 TDE= -0.342674 logGD-logG0= -0.009435 tlogG= -0.047640 logG= -0.057076 Density= 0.426525 ETOT(band)= -0.468697 trlgG= -0.586982 logG= -0.057076 TDE= -0.341941 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010533 tlogG= -0.047691 logG= -0.058223 Density= 0.430978 ETOT(band)= -0.467754 trlgG= -0.588680 logG= -0.058223 TDE= -0.342921 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009713 tlogG= -0.046394 logG= -0.056107 Density= 0.429401 ETOT(band)= -0.465862 trlgG= -0.581500 logG= -0.056107 TDE= -0.341471 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009597 tlogG= -0.047847 logG= -0.057444 Density= 0.429008 ETOT(band)= -0.468237 trlgG= -0.587799 logG= -0.057444 TDE= -0.342393 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009778 tlogG= -0.047553 logG= -0.057331 Density= 0.428475 ETOT(band)= -0.467794 trlgG= -0.586203 logG= -0.057331 TDE= -0.342093 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010098 tlogG= -0.046923 logG= -0.057020 Density= 0.429755 ETOT(band)= -0.466773 trlgG= -0.584203 logG= -0.057020 TDE= -0.341765 logGD-logG0= -0.010497 tlogG= -0.047259 logG= -0.057756 logGD-logG0= -0.010457 tlogG= -0.048016 logG= -0.058473 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430362 ETOT(band)= -0.467392 trlgG= -0.586853 logG= -0.057756 TDE= -0.342430 Density= 0.431221 ETOT(band)= -0.468035 trlgG= -0.589673 logG= -0.058473 TDE= -0.343186 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004673 tlogG= -0.023242 logG= -0.027915 Density= 0.213426 ETOT(band)= -0.233778 trlgG= -0.292224 logG= -0.027915 TDE= -0.170816 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010022 tlogG= -0.047562 logG= -0.057584 Density= 0.429887 ETOT(band)= -0.467419 trlgG= -0.586133 logG= -0.057584 TDE= -0.342211 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005306 logG= -0.006483 Density= 0.081540 ETOT(band)= -0.085736 trlgG= -0.106198 logG= -0.006483 TDE= -0.042478 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001397 tlogG= -0.007965 logG= -0.009361 Density= 0.070840 ETOT(band)= -0.078007 trlgG= -0.097455 logG= -0.009361 TDE= -0.056986 logGD-logG0= -0.004192 tlogG= -0.024129 logG= -0.028321 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212089 ETOT(band)= -0.234550 trlgG= -0.293694 logG= -0.028321 TDE= -0.171049 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.022324 logG= -0.027048 Density= 0.322780 ETOT(band)= -0.348205 trlgG= -0.433994 logG= -0.027048 TDE= -0.170318 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005467 logG= -0.006664 Density= 0.081180 ETOT(band)= -0.086407 trlgG= -0.107361 logG= -0.006664 TDE= -0.042590 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009749 tlogG= -0.044613 logG= -0.054362 Density= 0.324202 ETOT(band)= -0.346887 trlgG= -0.431927 logG= -0.054362 TDE= -0.340918 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009389 tlogG= -0.047760 logG= -0.057149 Density= 0.427032 ETOT(band)= -0.468242 trlgG= -0.585828 logG= -0.057149 TDE= -0.341642 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001656 tlogG= -0.007115 logG= -0.008772 Density= 0.072212 ETOT(band)= -0.076525 trlgG= -0.094833 logG= -0.008772 TDE= -0.056646 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004837 tlogG= -0.022289 logG= -0.027126 Density= 0.214191 ETOT(band)= -0.232598 trlgG= -0.289437 logG= -0.027126 TDE= -0.170238 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004684 tlogG= -0.022323 logG= -0.027007 Density= 0.214965 ETOT(band)= -0.232103 trlgG= -0.289079 logG= -0.027007 TDE= -0.170324 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004807 tlogG= -0.022470 logG= -0.027277 Density= 0.214958 ETOT(band)= -0.231814 trlgG= -0.288034 logG= -0.027277 TDE= -0.170251 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.021875 logG= -0.026845 Density= 0.216573 ETOT(band)= -0.230424 trlgG= -0.286461 logG= -0.026845 TDE= -0.170295 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.021346 logG= -0.026226 Density= 0.216969 ETOT(band)= -0.229313 trlgG= -0.284253 logG= -0.026226 TDE= -0.169963 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004838 tlogG= -0.021201 logG= -0.026039 Density= 0.216290 ETOT(band)= -0.230179 trlgG= -0.285515 logG= -0.026039 TDE= -0.169869 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009595 tlogG= -0.044618 logG= -0.054213 Density= 0.431489 ETOT(band)= -0.462372 trlgG= -0.574703 logG= -0.054213 TDE= -0.340556 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -325.028778761382 eV TrLogG= -407.214201690994 eV Ratio to renormalize= 1.000320358037 rho-rho_expected=-0.007045619686 nargs= 1 argi=dmft2.def 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964744290054686 0.940577516222469 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002274 tlogG= -0.011878 logG= -0.014153 Density= 0.053541 ETOT(band)= -0.058429 trlgG= -0.073247 logG= -0.014153 TDE= -0.085589 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004444 tlogG= -0.024035 logG= -0.028479 Density= 0.106344 ETOT(band)= -0.117214 trlgG= -0.146763 logG= -0.028479 TDE= -0.170908 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022157 logG= -0.027010 Density= 0.108325 ETOT(band)= -0.115478 trlgG= -0.143914 logG= -0.027010 TDE= -0.170509 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004607 tlogG= -0.023676 logG= -0.028283 logGD-logG0= -0.004995 tlogG= -0.023204 logG= -0.028199 Density= 0.108159 ETOT(band)= -0.116251 trlgG= -0.145827 logG= -0.028199 TDE= -0.171150 Density= 0.106934 ETOT(band)= -0.116899 trlgG= -0.146451 logG= -0.028283 TDE= -0.171084 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.023673 logG= -0.028858 Density= 0.107191 ETOT(band)= -0.117057 trlgG= -0.146811 logG= -0.028858 TDE= -0.170996 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004780 tlogG= -0.024059 logG= -0.028838 Density= 0.107015 ETOT(band)= -0.117151 trlgG= -0.147127 logG= -0.028838 TDE= -0.171246 logGD-logG0= -0.005202 tlogG= -0.023184 logG= -0.028386 Density= 0.107645 ETOT(band)= -0.116597 trlgG= -0.146111 logG= -0.028386 TDE= -0.170994 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001452 tlogG= -0.007808 logG= -0.009260 Density= 0.035477 ETOT(band)= -0.038945 trlgG= -0.048596 logG= -0.009260 TDE= -0.056892 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000191 tlogG= -0.000852 logG= -0.001043 Density= 0.004542 ETOT(band)= -0.004735 trlgG= -0.005850 logG= -0.001043 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001371 tlogG= -0.008041 logG= -0.009412 Density= 0.035297 ETOT(band)= -0.039098 trlgG= -0.048961 logG= -0.009412 TDE= -0.057016 logGD-logG0= -0.004247 tlogG= -0.023965 logG= -0.028211 Density= 0.106123 ETOT(band)= -0.117184 trlgG= -0.146643 logG= -0.028211 TDE= -0.170946 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.022397 logG= -0.027308 Density= 0.107596 ETOT(band)= -0.116016 trlgG= -0.144405 logG= -0.027308 TDE= -0.170341 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002552 tlogG= -0.012027 logG= -0.014578 Density= 0.053744 ETOT(band)= -0.058560 trlgG= -0.073666 logG= -0.014578 TDE= -0.085683 logGD-logG0= -0.004220 tlogG= -0.024042 logG= -0.028261 Density= 0.106071 ETOT(band)= -0.117228 trlgG= -0.146756 logG= -0.028261 TDE= -0.170984 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004520 tlogG= -0.023196 logG= -0.027716 Density= 0.106693 ETOT(band)= -0.116680 trlgG= -0.145433 logG= -0.027716 TDE= -0.170515 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002370 tlogG= -0.012077 logG= -0.014446 Density= 0.053564 ETOT(band)= -0.058573 trlgG= -0.073609 logG= -0.014446 TDE= -0.085669 logGD-logG0= -0.002281 tlogG= -0.011442 logG= -0.013724 Density= 0.053717 ETOT(band)= -0.058097 trlgG= -0.072482 logG= -0.013724 TDE= -0.085340 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004633 tlogG= -0.023490 logG= -0.028123 logGD-logG0= -0.005044 tlogG= -0.023419 logG= -0.028463 logGD-logG0= -0.004935 tlogG= -0.022445 logG= -0.027380 Density= 0.108095 ETOT(band)= -0.116428 trlgG= -0.146246 logG= -0.028463 TDE= -0.171274 Density= 0.106731 ETOT(band)= -0.116871 trlgG= -0.145917 logG= -0.028123 TDE= -0.170610 Density= 0.108168 ETOT(band)= -0.115785 trlgG= -0.144523 logG= -0.027380 TDE= -0.170670 logGD-logG0= -0.001590 tlogG= -0.006987 logG= -0.008577 Density= 0.036185 ETOT(band)= -0.038142 trlgG= -0.047234 logG= -0.008577 TDE= -0.056563 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004607 tlogG= -0.022980 logG= -0.027586 Density= 0.106830 ETOT(band)= -0.116548 trlgG= -0.145171 logG= -0.027586 TDE= -0.170449 logGD-logG0= -0.001655 tlogG= -0.007301 logG= -0.008957 Density= 0.035831 ETOT(band)= -0.038594 trlgG= -0.047897 logG= -0.008957 TDE= -0.056671 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002507 tlogG= -0.011978 logG= -0.014486 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054120 ETOT(band)= -0.058319 trlgG= -0.073527 logG= -0.014486 TDE= -0.085823 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023939 logG= -0.028974 logGD-logG0= -0.005178 tlogG= -0.024060 logG= -0.029238 Density= 0.107605 ETOT(band)= -0.117120 trlgG= -0.147478 logG= -0.029238 TDE= -0.171489 Density= 0.108194 ETOT(band)= -0.116663 trlgG= -0.147059 logG= -0.028974 TDE= -0.171625 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.023753 logG= -0.028801 Density= 0.108143 ETOT(band)= -0.116589 trlgG= -0.146781 logG= -0.028801 TDE= -0.171495 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.022971 logG= -0.027973 logGD-logG0= -0.005186 tlogG= -0.024077 logG= -0.029263 Density= 0.108100 ETOT(band)= -0.116158 trlgG= -0.145471 logG= -0.027973 TDE= -0.170991 logGD-logG0= -0.002576 tlogG= -0.011982 logG= -0.014559 Density= 0.107851 ETOT(band)= -0.117026 trlgG= -0.147541 logG= -0.029263 TDE= -0.171648 Density= 0.053965 ETOT(band)= -0.058441 trlgG= -0.073649 logG= -0.014559 TDE= -0.085795 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005025 tlogG= -0.023594 logG= -0.028619 Density= 0.108169 ETOT(band)= -0.116473 trlgG= -0.146490 logG= -0.028619 TDE= -0.171398 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004762 tlogG= -0.022838 logG= -0.027601 Density= 0.107710 ETOT(band)= -0.116144 trlgG= -0.144888 logG= -0.027601 TDE= -0.170588 logGD-logG0= -0.005219 tlogG= -0.024123 logG= -0.029342 logGD-logG0= -0.005022 tlogG= -0.023860 logG= -0.028882 logGD-logG0= -0.004898 tlogG= -0.023632 logG= -0.028529 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107774 ETOT(band)= -0.117115 trlgG= -0.147667 logG= -0.029342 TDE= -0.171657 Density= 0.108215 ETOT(band)= -0.116599 trlgG= -0.146910 logG= -0.028882 TDE= -0.171578 Density= 0.106937 ETOT(band)= -0.116988 trlgG= -0.146262 logG= -0.028529 TDE= -0.170650 logGD-logG0= -0.004729 tlogG= -0.023677 logG= -0.028406 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107339 ETOT(band)= -0.116777 trlgG= -0.146358 logG= -0.028406 TDE= -0.171068 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023956 logG= -0.029084 Density= 0.107405 ETOT(band)= -0.117108 trlgG= -0.147206 logG= -0.029084 TDE= -0.171271 logGD-logG0= -0.004579 tlogG= -0.023658 logG= -0.028237 logGD-logG0= -0.005211 tlogG= -0.023890 logG= -0.029101 Density= 0.107714 ETOT(band)= -0.116986 trlgG= -0.147262 logG= -0.029101 TDE= -0.171464 logGD-logG0= -0.004803 tlogG= -0.023882 logG= -0.028685 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106554 ETOT(band)= -0.117019 trlgG= -0.146348 logG= -0.028237 TDE= -0.170840 logGD-logG0= -0.004930 tlogG= -0.022722 logG= -0.027652 Density= 0.108214 ETOT(band)= -0.115921 trlgG= -0.144959 logG= -0.027652 TDE= -0.170856 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002351 tlogG= -0.010420 logG= -0.012771 Density= 0.054362 ETOT(band)= -0.057095 trlgG= -0.070673 logG= -0.012771 TDE= -0.084803 logGD-logG0= -0.004893 tlogG= -0.024082 logG= -0.028974 Density= 0.106714 ETOT(band)= -0.117172 trlgG= -0.146875 logG= -0.028685 TDE= -0.170997 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107340 ETOT(band)= -0.117087 trlgG= -0.147099 logG= -0.028974 TDE= -0.171242 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004639 tlogG= -0.022841 logG= -0.027480 Density= 0.107257 ETOT(band)= -0.116292 trlgG= -0.145017 logG= -0.027480 TDE= -0.170613 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.024048 logG= -0.029209 Density= 0.107911 ETOT(band)= -0.116958 trlgG= -0.147452 logG= -0.029209 TDE= -0.171642 logGD-logG0= -0.005172 tlogG= -0.023860 logG= -0.029032 Density= 0.107879 ETOT(band)= -0.116852 trlgG= -0.147155 logG= -0.029032 TDE= -0.171507 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004719 tlogG= -0.020976 logG= -0.025696 Density= 0.108678 ETOT(band)= -0.114337 trlgG= -0.141625 logG= -0.025696 TDE= -0.169709 logGD-logG0= -0.005010 tlogG= -0.022864 logG= -0.027874 Density= 0.107578 ETOT(band)= -0.116349 trlgG= -0.145302 logG= -0.027874 TDE= -0.170663 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005210 tlogG= -0.023569 logG= -0.028779 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107763 ETOT(band)= -0.116757 trlgG= -0.146740 logG= -0.028779 TDE= -0.171288 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009268 tlogG= -0.045739 logG= -0.055007 Density= 0.214941 ETOT(band)= -0.232414 trlgG= -0.289933 logG= -0.055007 TDE= -0.341290 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009581 tlogG= -0.048223 logG= -0.057804 logGD-logG0= -0.009727 tlogG= -0.047880 logG= -0.057607 Density= 0.214322 ETOT(band)= -0.234259 trlgG= -0.294328 logG= -0.057804 TDE= -0.342581 logGD-logG0= -0.008906 tlogG= -0.047611 logG= -0.056517 Density= 0.213887 ETOT(band)= -0.234300 trlgG= -0.294018 logG= -0.057607 TDE= -0.342253 logGD-logG0= -0.009547 tlogG= -0.045570 logG= -0.055117 Density= 0.214283 ETOT(band)= -0.232769 trlgG= -0.290114 logG= -0.055117 TDE= -0.341035 Density= 0.212837 ETOT(band)= -0.234163 trlgG= -0.292828 logG= -0.056517 TDE= -0.341634 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009448 tlogG= -0.047139 logG= -0.056587 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009220 tlogG= -0.047427 logG= -0.056647 Density= 0.214232 ETOT(band)= -0.233684 trlgG= -0.292883 logG= -0.056647 TDE= -0.342248 logGD-logG0= -0.004966 tlogG= -0.021807 logG= -0.026773 Density= 0.107751 ETOT(band)= -0.115587 trlgG= -0.143529 logG= -0.026773 TDE= -0.170077 Density= 0.213684 ETOT(band)= -0.233857 trlgG= -0.292756 logG= -0.056587 TDE= -0.341910 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009336 tlogG= -0.047909 logG= -0.057246 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213187 ETOT(band)= -0.234369 trlgG= -0.293474 logG= -0.057246 TDE= -0.341724 logGD-logG0= -0.009609 tlogG= -0.047133 logG= -0.056743 Density= 0.213694 ETOT(band)= -0.233901 trlgG= -0.292547 logG= -0.056743 TDE= -0.341551 logGD-logG0= -0.010303 tlogG= -0.047726 logG= -0.058029 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214680 ETOT(band)= -0.234180 trlgG= -0.294165 logG= -0.058029 TDE= -0.342370 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009653 tlogG= -0.045628 logG= -0.055280 logGD-logG0= -0.010258 tlogG= -0.048060 logG= -0.058318 logGD-logG0= -0.010107 tlogG= -0.047958 logG= -0.058065 logGD-logG0= -0.004800 tlogG= -0.021552 logG= -0.026352 Density= 0.108480 ETOT(band)= -0.114926 trlgG= -0.142783 logG= -0.026352 TDE= -0.170113 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214998 ETOT(band)= -0.234086 trlgG= -0.294258 logG= -0.058065 TDE= -0.342584 Density= 0.215074 ETOT(band)= -0.232488 trlgG= -0.289924 logG= -0.055280 TDE= -0.341073 Density= 0.214995 ETOT(band)= -0.234231 trlgG= -0.294674 logG= -0.058318 TDE= -0.342746 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010340 tlogG= -0.047993 logG= -0.058333 Density= 0.215032 ETOT(band)= -0.234222 trlgG= -0.294701 logG= -0.058333 TDE= -0.342777 logGD-logG0= -0.010320 tlogG= -0.047921 logG= -0.058240 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215825 ETOT(band)= -0.233787 trlgG= -0.294603 logG= -0.058240 TDE= -0.343164 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010168 tlogG= -0.047765 logG= -0.057933 logGD-logG0= -0.010394 tlogG= -0.047508 logG= -0.057902 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009851 tlogG= -0.048008 logG= -0.057859 Density= 0.214453 ETOT(band)= -0.234205 trlgG= -0.294076 logG= -0.057859 TDE= -0.342339 Density= 0.215628 ETOT(band)= -0.233673 trlgG= -0.294042 logG= -0.057902 TDE= -0.342843 Density= 0.214578 ETOT(band)= -0.234174 trlgG= -0.293996 logG= -0.057933 TDE= -0.342247 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009969 tlogG= -0.047639 logG= -0.057608 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213868 ETOT(band)= -0.234287 trlgG= -0.293771 logG= -0.057608 TDE= -0.341995 logGD-logG0= -0.009966 tlogG= -0.046390 logG= -0.056356 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010406 tlogG= -0.046856 logG= -0.057262 Density= 0.215141 ETOT(band)= -0.233050 trlgG= -0.291560 logG= -0.056356 TDE= -0.341665 Density= 0.215356 ETOT(band)= -0.233439 trlgG= -0.293002 logG= -0.057262 TDE= -0.342309 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002411 tlogG= -0.010835 logG= -0.013246 logGD-logG0= -0.010374 tlogG= -0.047869 logG= -0.058244 Density= 0.054045 ETOT(band)= -0.057615 trlgG= -0.071521 logG= -0.013246 TDE= -0.085019 Density= 0.215696 ETOT(band)= -0.233861 trlgG= -0.294606 logG= -0.058244 TDE= -0.343100 logGD-logG0= -0.010196 tlogG= -0.047287 logG= -0.057483 logGD-logG0= -0.010363 tlogG= -0.047399 logG= -0.057762 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215395 ETOT(band)= -0.233715 trlgG= -0.293803 logG= -0.057762 TDE= -0.342629 Density= 0.214182 ETOT(band)= -0.234078 trlgG= -0.293247 logG= -0.057483 TDE= -0.341752 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009576 tlogG= -0.047203 logG= -0.056779 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.048123 logG= -0.058577 Density= 0.214398 ETOT(band)= -0.233644 trlgG= -0.292655 logG= -0.056779 TDE= -0.341971 Density= 0.215350 ETOT(band)= -0.234246 trlgG= -0.295137 logG= -0.058577 TDE= -0.343127 logGD-logG0= -0.009878 tlogG= -0.047130 logG= -0.057008 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215076 ETOT(band)= -0.233452 trlgG= -0.292578 logG= -0.057008 TDE= -0.342000 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.021863 logG= -0.026749 Density= 0.108289 ETOT(band)= -0.115294 trlgG= -0.143464 logG= -0.026749 TDE= -0.170302 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004906 tlogG= -0.021684 logG= -0.026590 Density= 0.107895 ETOT(band)= -0.115393 trlgG= -0.143218 logG= -0.026590 TDE= -0.170020 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009807 tlogG= -0.043368 logG= -0.053174 Density= 0.216207 ETOT(band)= -0.230573 trlgG= -0.286410 logG= -0.053174 TDE= -0.340226 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001232 tlogG= -0.005745 logG= -0.006977 Density= 0.080608 ETOT(band)= -0.087439 trlgG= -0.109587 logG= -0.006977 TDE= -0.042758 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004472 tlogG= -0.023962 logG= -0.028434 Density= 0.212720 ETOT(band)= -0.234399 trlgG= -0.293432 logG= -0.028434 TDE= -0.170876 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.022427 logG= -0.027440 Density= 0.216301 ETOT(band)= -0.231388 trlgG= -0.288534 logG= -0.027440 TDE= -0.170611 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.023404 logG= -0.028505 Density= 0.216128 ETOT(band)= -0.232759 trlgG= -0.292137 logG= -0.028505 TDE= -0.171234 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004545 tlogG= -0.023360 logG= -0.027905 Density= 0.214103 ETOT(band)= -0.233490 trlgG= -0.292277 logG= -0.027905 TDE= -0.170953 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004633 tlogG= -0.023996 logG= -0.028629 Density= 0.214040 ETOT(band)= -0.234203 trlgG= -0.294071 logG= -0.028629 TDE= -0.171276 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023343 logG= -0.028673 Density= 0.215031 ETOT(band)= -0.233464 trlgG= -0.292653 logG= -0.028673 TDE= -0.171009 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.023946 logG= -0.028918 Density= 0.214260 ETOT(band)= -0.234210 trlgG= -0.293854 logG= -0.028918 TDE= -0.171109 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001398 tlogG= -0.007962 logG= -0.009360 Density= 0.070837 ETOT(band)= -0.077993 trlgG= -0.097435 logG= -0.009360 TDE= -0.056977 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004382 tlogG= -0.023577 logG= -0.027959 Density= 0.212529 ETOT(band)= -0.234122 trlgG= -0.292686 logG= -0.027959 TDE= -0.170740 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004861 tlogG= -0.022895 logG= -0.027756 Density= 0.214719 ETOT(band)= -0.232514 trlgG= -0.289628 logG= -0.027756 TDE= -0.170476 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001251 tlogG= -0.005936 logG= -0.007187 Density= 0.080804 ETOT(band)= -0.087687 trlgG= -0.110340 logG= -0.007187 TDE= -0.042877 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001536 tlogG= -0.007585 logG= -0.009122 Density= 0.071470 ETOT(band)= -0.077386 trlgG= -0.096135 logG= -0.009122 TDE= -0.056752 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005981 logG= -0.007230 Density= 0.081034 ETOT(band)= -0.087588 trlgG= -0.110391 logG= -0.007230 TDE= -0.042907 logGD-logG0= -0.001246 tlogG= -0.005853 logG= -0.007099 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080620 ETOT(band)= -0.087654 trlgG= -0.110142 logG= -0.007099 TDE= -0.042823 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004194 tlogG= -0.024122 logG= -0.028315 Density= 0.212080 ETOT(band)= -0.234507 trlgG= -0.293636 logG= -0.028315 TDE= -0.171023 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004327 tlogG= -0.023730 logG= -0.028057 Density= 0.212999 ETOT(band)= -0.233711 trlgG= -0.291709 logG= -0.028057 TDE= -0.170824 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004497 tlogG= -0.023880 logG= -0.028377 Density= 0.213196 ETOT(band)= -0.233986 trlgG= -0.292436 logG= -0.028377 TDE= -0.170827 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001211 tlogG= -0.005616 logG= -0.006827 Density= 0.080810 ETOT(band)= -0.087009 trlgG= -0.108583 logG= -0.006827 TDE= -0.042681 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001546 tlogG= -0.006870 logG= -0.008416 Density= 0.040837 ETOT(band)= -0.042691 trlgG= -0.052783 logG= -0.008416 TDE= -0.056477 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005117 tlogG= -0.023991 logG= -0.029108 Density= 0.215614 ETOT(band)= -0.233962 trlgG= -0.294761 logG= -0.029108 TDE= -0.171624 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001658 tlogG= -0.007113 logG= -0.008771 Density= 0.072207 ETOT(band)= -0.076513 trlgG= -0.094817 logG= -0.008771 TDE= -0.056638 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005094 tlogG= -0.023751 logG= -0.028845 Density= 0.216209 ETOT(band)= -0.233137 trlgG= -0.293343 logG= -0.028845 TDE= -0.171473 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.024146 logG= -0.029058 Density= 0.214664 ETOT(band)= -0.234280 trlgG= -0.294467 logG= -0.029058 TDE= -0.171281 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.023946 logG= -0.029019 Density= 0.216320 ETOT(band)= -0.233334 trlgG= -0.294047 logG= -0.029019 TDE= -0.171614 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023989 logG= -0.029069 logGD-logG0= -0.005151 tlogG= -0.023789 logG= -0.028939 Density= 0.215260 ETOT(band)= -0.233871 trlgG= -0.294106 logG= -0.028939 TDE= -0.171471 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216286 ETOT(band)= -0.233439 trlgG= -0.294280 logG= -0.029069 TDE= -0.171641 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.022464 logG= -0.027273 logGD-logG0= -0.005258 tlogG= -0.023888 logG= -0.029146 Density= 0.214946 ETOT(band)= -0.231776 trlgG= -0.287982 logG= -0.027273 TDE= -0.170225 Density= 0.215573 ETOT(band)= -0.233864 trlgG= -0.294489 logG= -0.029146 TDE= -0.171480 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023470 logG= -0.028617 Density= 0.215140 ETOT(band)= -0.233437 trlgG= -0.292843 logG= -0.028617 TDE= -0.171214 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.023674 logG= -0.028980 Density= 0.215334 ETOT(band)= -0.233719 trlgG= -0.293792 logG= -0.028980 TDE= -0.171303 logGD-logG0= -0.005210 tlogG= -0.024112 logG= -0.029322 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215647 ETOT(band)= -0.234118 trlgG= -0.295177 logG= -0.029322 TDE= -0.171657 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008746 tlogG= -0.048076 logG= -0.056821 logGD-logG0= -0.009235 tlogG= -0.046693 logG= -0.055928 Density= 0.427727 ETOT(band)= -0.466368 trlgG= -0.581730 logG= -0.055928 TDE= -0.341310 Density= 0.425357 ETOT(band)= -0.468598 trlgG= -0.586352 logG= -0.056821 TDE= -0.341868 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.023834 logG= -0.028802 Density= 0.215423 ETOT(band)= -0.233865 trlgG= -0.294211 logG= -0.028802 TDE= -0.171160 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004577 tlogG= -0.023357 logG= -0.027934 Density= 0.321518 ETOT(band)= -0.350233 trlgG= -0.438671 logG= -0.027934 TDE= -0.170945 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009965 tlogG= -0.045606 logG= -0.055571 Density= 0.323938 ETOT(band)= -0.348102 trlgG= -0.434867 logG= -0.055571 TDE= -0.341547 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.047213 logG= -0.057451 logGD-logG0= -0.004666 tlogG= -0.023995 logG= -0.028661 Density= 0.324027 ETOT(band)= -0.349700 trlgG= -0.439572 logG= -0.057451 TDE= -0.342730 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321447 ETOT(band)= -0.351282 trlgG= -0.441248 logG= -0.028661 TDE= -0.171271 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004801 tlogG= -0.021289 logG= -0.026090 Density= 0.162599 ETOT(band)= -0.173060 trlgG= -0.215862 logG= -0.026090 TDE= -0.169925 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010191 tlogG= -0.047765 logG= -0.057955 logGD-logG0= -0.001179 tlogG= -0.005304 logG= -0.006482 Density= 0.081535 ETOT(band)= -0.085723 trlgG= -0.106181 logG= -0.006482 TDE= -0.042472 Density= 0.324247 ETOT(band)= -0.350064 trlgG= -0.440919 logG= -0.057955 TDE= -0.343122 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009438 tlogG= -0.047629 logG= -0.057066 Density= 0.426501 ETOT(band)= -0.468616 trlgG= -0.586870 logG= -0.057066 TDE= -0.341889 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009719 tlogG= -0.046379 logG= -0.056098 logGD-logG0= -0.004811 tlogG= -0.023871 logG= -0.028683 Density= 0.429375 ETOT(band)= -0.465786 trlgG= -0.581395 logG= -0.056098 TDE= -0.341420 Density= 0.213705 ETOT(band)= -0.234129 trlgG= -0.292949 logG= -0.028683 TDE= -0.170839 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.022956 logG= -0.028030 Density= 0.216155 ETOT(band)= -0.232186 trlgG= -0.290521 logG= -0.028030 TDE= -0.170946 logGD-logG0= -0.010477 tlogG= -0.048018 logG= -0.058495 logGD-logG0= -0.009391 tlogG= -0.047748 logG= -0.057139 Density= 0.427008 ETOT(band)= -0.468162 trlgG= -0.585719 logG= -0.057139 TDE= -0.341590 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323137 ETOT(band)= -0.351146 trlgG= -0.442272 logG= -0.058495 TDE= -0.343116 logGD-logG0= -0.004937 tlogG= -0.024151 logG= -0.029089 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322327 ETOT(band)= -0.351387 trlgG= -0.441926 logG= -0.029089 TDE= -0.171276 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009470 tlogG= -0.046583 logG= -0.056053 logGD-logG0= -0.004728 tlogG= -0.023826 logG= -0.028554 Density= 0.322592 ETOT(band)= -0.349180 trlgG= -0.436306 logG= -0.056053 TDE= -0.341699 Density= 0.213489 ETOT(band)= -0.234270 trlgG= -0.293685 logG= -0.028554 TDE= -0.171094 logGD-logG0= -0.005243 tlogG= -0.023947 logG= -0.029190 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.024072 logG= -0.029215 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322951 ETOT(band)= -0.351356 trlgG= -0.442576 logG= -0.029215 TDE= -0.171470 logGD-logG0= -0.004923 tlogG= -0.023233 logG= -0.028156 Density= 0.323553 ETOT(band)= -0.350815 trlgG= -0.442013 logG= -0.029190 TDE= -0.171529 Density= 0.321584 ETOT(band)= -0.350739 trlgG= -0.439524 logG= -0.028156 TDE= -0.170900 logGD-logG0= -0.004676 tlogG= -0.023234 logG= -0.027910 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213414 ETOT(band)= -0.233737 trlgG= -0.292169 logG= -0.027910 TDE= -0.170790 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010236 tlogG= -0.046392 logG= -0.056628 logGD-logG0= -0.004884 tlogG= -0.021339 logG= -0.026223 Density= 0.216954 ETOT(band)= -0.229277 trlgG= -0.284206 logG= -0.026223 TDE= -0.169939 Density= 0.323891 ETOT(band)= -0.349045 trlgG= -0.437487 logG= -0.056628 TDE= -0.342172 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009427 tlogG= -0.047818 logG= -0.057246 Density= 0.427875 ETOT(band)= -0.468393 trlgG= -0.587729 logG= -0.057246 TDE= -0.342356 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001160 tlogG= -0.005168 logG= -0.006328 Density= 0.062517 ETOT(band)= -0.067579 trlgG= -0.084190 logG= -0.006328 TDE= -0.042370 logGD-logG0= -0.004841 tlogG= -0.022282 logG= -0.027123 Density= 0.214179 ETOT(band)= -0.232558 trlgG= -0.289383 logG= -0.027123 TDE= -0.170212 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010099 tlogG= -0.047935 logG= -0.058034 Density= 0.429048 ETOT(band)= -0.468457 trlgG= -0.588146 logG= -0.058034 TDE= -0.342245 logGD-logG0= -0.009930 tlogG= -0.048127 logG= -0.058057 Density= 0.429145 ETOT(band)= -0.468494 trlgG= -0.588496 logG= -0.058057 TDE= -0.342402 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010064 tlogG= -0.048200 logG= -0.058263 Density= 0.429885 ETOT(band)= -0.468493 trlgG= -0.589265 logG= -0.058263 TDE= -0.342621 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010274 tlogG= -0.048048 logG= -0.058323 Density= 0.429992 ETOT(band)= -0.468323 trlgG= -0.588937 logG= -0.058323 TDE= -0.342746 logGD-logG0= -0.009290 tlogG= -0.046586 logG= -0.055876 Density= 0.427934 ETOT(band)= -0.467089 trlgG= -0.584335 logG= -0.055876 TDE= -0.341725 logGD-logG0= -0.009755 tlogG= -0.044599 logG= -0.054355 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324181 ETOT(band)= -0.346832 trlgG= -0.431853 logG= -0.054355 TDE= -0.340868 logGD-logG0= -0.010543 tlogG= -0.047672 logG= -0.058215 Density= 0.430946 ETOT(band)= -0.467681 trlgG= -0.588576 logG= -0.058215 TDE= -0.342869 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009603 tlogG= -0.047832 logG= -0.057435 Density= 0.428979 ETOT(band)= -0.468160 trlgG= -0.587694 logG= -0.057435 TDE= -0.342342 logGD-logG0= -0.005064 tlogG= -0.023183 logG= -0.028247 Density= 0.214791 ETOT(band)= -0.233067 trlgG= -0.291160 logG= -0.028247 TDE= -0.170665 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.047647 logG= -0.057688 Density= 0.428129 ETOT(band)= -0.468373 trlgG= -0.587061 logG= -0.057688 TDE= -0.341997 logGD-logG0= -0.010443 tlogG= -0.047706 logG= -0.058149 Density= 0.430603 ETOT(band)= -0.467741 trlgG= -0.588219 logG= -0.058149 TDE= -0.342762 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.046908 logG= -0.057012 Density= 0.429726 ETOT(band)= -0.466698 trlgG= -0.584097 logG= -0.057012 TDE= -0.341713 logGD-logG0= -0.010467 tlogG= -0.047997 logG= -0.058465 Density= 0.431188 ETOT(band)= -0.467962 trlgG= -0.589569 logG= -0.058465 TDE= -0.343134 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047538 logG= -0.057322 Density= 0.428448 ETOT(band)= -0.467716 trlgG= -0.586096 logG= -0.057322 TDE= -0.342042 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.022316 logG= -0.027044 Density= 0.322760 ETOT(band)= -0.348148 trlgG= -0.433916 logG= -0.027044 TDE= -0.170293 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010502 tlogG= -0.047245 logG= -0.057748 Density= 0.430331 ETOT(band)= -0.467318 trlgG= -0.586748 logG= -0.057748 TDE= -0.342378 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010027 tlogG= -0.047548 logG= -0.057575 Density= 0.429857 ETOT(band)= -0.467344 trlgG= -0.586027 logG= -0.057575 TDE= -0.342159 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.021867 logG= -0.026841 Density= 0.216558 ETOT(band)= -0.230388 trlgG= -0.286413 logG= -0.026841 TDE= -0.170271 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001198 tlogG= -0.005465 logG= -0.006663 Density= 0.081174 ETOT(band)= -0.086393 trlgG= -0.107343 logG= -0.006663 TDE= -0.042583 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004687 tlogG= -0.022316 logG= -0.027003 Density= 0.214952 ETOT(band)= -0.232065 trlgG= -0.289026 logG= -0.027003 TDE= -0.170299 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004842 tlogG= -0.021194 logG= -0.026036 Density= 0.216276 ETOT(band)= -0.230142 trlgG= -0.285467 logG= -0.026036 TDE= -0.169845 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009602 tlogG= -0.044603 logG= -0.054205 Density= 0.431461 ETOT(band)= -0.462298 trlgG= -0.574602 logG= -0.054205 TDE= -0.340505 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.976015023852 eV TrLogG= -407.131127744812 eV Ratio to renormalize= 1.000386807475 rho-rho_expected=-0.008506474078 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964726777421602 0.940552815097003 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002750 tlogG= -0.011454 logG= -0.014204 Density= 0.053773 ETOT(band)= -0.058073 trlgG= -0.072933 logG= -0.014204 TDE= -0.085338 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.024057 logG= -0.029452 Density= 0.106467 ETOT(band)= -0.117152 trlgG= -0.147672 logG= -0.029452 TDE= -0.170905 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005851 tlogG= -0.022748 logG= -0.028599 Density= 0.108323 ETOT(band)= -0.115880 trlgG= -0.145849 logG= -0.028599 TDE= -0.170854 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005918 tlogG= -0.023230 logG= -0.029148 Density= 0.108272 ETOT(band)= -0.116209 trlgG= -0.146717 logG= -0.029148 TDE= -0.171147 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005721 tlogG= -0.024082 logG= -0.029804 Density= 0.107137 ETOT(band)= -0.117096 trlgG= -0.148030 logG= -0.029804 TDE= -0.171243 logGD-logG0= -0.005942 tlogG= -0.022887 logG= -0.028829 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005751 tlogG= -0.023903 logG= -0.029654 Density= 0.107691 ETOT(band)= -0.116302 trlgG= -0.146198 logG= -0.028829 TDE= -0.170660 Density= 0.106837 ETOT(band)= -0.117113 trlgG= -0.147780 logG= -0.029654 TDE= -0.170994 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005549 tlogG= -0.023700 logG= -0.029249 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107053 ETOT(band)= -0.116844 trlgG= -0.147356 logG= -0.029249 TDE= -0.171081 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 Density= 0.004546 ETOT(band)= -0.004734 trlgG= -0.005888 logG= -0.001083 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.003020 tlogG= -0.012038 logG= -0.015058 Density= 0.053805 ETOT(band)= -0.058535 trlgG= -0.074115 logG= -0.015058 TDE= -0.085682 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002745 tlogG= -0.011890 logG= -0.014635 Density= 0.053600 ETOT(band)= -0.058402 trlgG= -0.073699 logG= -0.014635 TDE= -0.085588 logGD-logG0= -0.001769 tlogG= -0.007815 logG= -0.009584 Density= 0.035517 ETOT(band)= -0.038926 trlgG= -0.048900 logG= -0.009584 TDE= -0.056891 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002840 tlogG= -0.012089 logG= -0.014928 Density= 0.053625 ETOT(band)= -0.058546 trlgG= -0.074060 logG= -0.014928 TDE= -0.085667 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.008048 logG= -0.009739 Density= 0.035338 ETOT(band)= -0.039076 trlgG= -0.049267 logG= -0.009739 TDE= -0.057015 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005960 tlogG= -0.023965 logG= -0.029925 Density= 0.108313 ETOT(band)= -0.116623 trlgG= -0.147949 logG= -0.029925 TDE= -0.171622 logGD-logG0= -0.005925 tlogG= -0.022997 logG= -0.028922 Density= 0.108211 ETOT(band)= -0.116116 trlgG= -0.146362 logG= -0.028922 TDE= -0.170988 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005856 tlogG= -0.022471 logG= -0.028327 Density= 0.108276 ETOT(band)= -0.115744 trlgG= -0.145414 logG= -0.028327 TDE= -0.170667 logGD-logG0= -0.005974 tlogG= -0.023779 logG= -0.029752 Density= 0.108261 ETOT(band)= -0.116547 trlgG= -0.147672 logG= -0.029752 TDE= -0.171492 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005969 tlogG= -0.023445 logG= -0.029414 Density= 0.108211 ETOT(band)= -0.116385 trlgG= -0.147137 logG= -0.029414 TDE= -0.171271 logGD-logG0= -0.005666 tlogG= -0.023701 logG= -0.029367 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002970 tlogG= -0.011991 logG= -0.014961 Density= 0.054180 ETOT(band)= -0.058299 trlgG= -0.073972 logG= -0.014961 TDE= -0.085821 logGD-logG0= -0.003041 tlogG= -0.011996 logG= -0.015036 logGD-logG0= -0.006112 tlogG= -0.024083 logG= -0.030195 Density= 0.054025 ETOT(band)= -0.058419 trlgG= -0.074095 logG= -0.015036 TDE= -0.085793 Density= 0.107457 ETOT(band)= -0.116726 trlgG= -0.147258 logG= -0.029367 TDE= -0.171066 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107727 ETOT(band)= -0.117071 trlgG= -0.148372 logG= -0.030195 TDE= -0.171486 logGD-logG0= -0.005175 tlogG= -0.024063 logG= -0.029238 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106194 ETOT(band)= -0.117164 trlgG= -0.147669 logG= -0.029238 TDE= -0.170981 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006114 tlogG= -0.024103 logG= -0.030217 Density= 0.107972 ETOT(band)= -0.116980 trlgG= -0.148432 logG= -0.030217 TDE= -0.171645 logGD-logG0= -0.005772 tlogG= -0.022183 logG= -0.027955 Density= 0.108430 ETOT(band)= -0.115439 trlgG= -0.144805 logG= -0.027955 TDE= -0.170506 logGD-logG0= -0.005947 tlogG= -0.023886 logG= -0.029833 logGD-logG0= -0.005201 tlogG= -0.023986 logG= -0.029188 Density= 0.106245 ETOT(band)= -0.117121 trlgG= -0.147555 logG= -0.029188 TDE= -0.170943 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108333 ETOT(band)= -0.116558 trlgG= -0.147800 logG= -0.029833 TDE= -0.171575 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023217 logG= -0.028684 Density= 0.106810 ETOT(band)= -0.116624 trlgG= -0.146341 logG= -0.028684 TDE= -0.170512 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005950 tlogG= -0.023620 logG= -0.029570 logGD-logG0= -0.006147 tlogG= -0.024149 logG= -0.030297 logGD-logG0= -0.006144 tlogG= -0.023914 logG= -0.030058 Density= 0.107896 ETOT(band)= -0.117068 trlgG= -0.148558 logG= -0.030297 TDE= -0.171654 Density= 0.107835 ETOT(band)= -0.116938 trlgG= -0.148156 logG= -0.030058 TDE= -0.171461 Density= 0.108285 ETOT(band)= -0.116432 trlgG= -0.147380 logG= -0.029570 TDE= -0.171395 logGD-logG0= -0.005842 tlogG= -0.023653 logG= -0.029495 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006125 tlogG= -0.023697 logG= -0.029822 Density= 0.107313 ETOT(band)= -0.117003 trlgG= -0.147711 logG= -0.029822 TDE= -0.170993 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005693 tlogG= -0.022862 logG= -0.028555 Density= 0.107058 ETOT(band)= -0.116932 trlgG= -0.147164 logG= -0.029495 TDE= -0.170647 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107821 ETOT(band)= -0.116098 trlgG= -0.145785 logG= -0.028555 TDE= -0.170585 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005552 tlogG= -0.023001 logG= -0.028553 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106945 ETOT(band)= -0.116494 trlgG= -0.146078 logG= -0.028553 TDE= -0.170446 logGD-logG0= -0.006066 tlogG= -0.023980 logG= -0.030045 logGD-logG0= -0.005830 tlogG= -0.024105 logG= -0.029936 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107528 ETOT(band)= -0.117057 trlgG= -0.148103 logG= -0.030045 TDE= -0.171268 Density= 0.107462 ETOT(band)= -0.117035 trlgG= -0.147998 logG= -0.029936 TDE= -0.171239 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005843 tlogG= -0.022421 logG= -0.028263 Density= 0.107707 ETOT(band)= -0.115970 trlgG= -0.145303 logG= -0.028263 TDE= -0.170339 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005579 tlogG= -0.023511 logG= -0.029090 Density= 0.106850 ETOT(band)= -0.116814 trlgG= -0.146822 logG= -0.029090 TDE= -0.170607 logGD-logG0= -0.005527 tlogG= -0.023680 logG= -0.029207 Density= 0.106675 ETOT(band)= -0.116960 trlgG= -0.147256 logG= -0.029207 TDE= -0.170837 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006134 tlogG= -0.023208 logG= -0.029342 Density= 0.107762 ETOT(band)= -0.116549 trlgG= -0.147007 logG= -0.029342 TDE= -0.170991 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005577 tlogG= -0.022865 logG= -0.028442 Density= 0.107370 ETOT(band)= -0.116242 trlgG= -0.145920 logG= -0.028442 TDE= -0.170610 logGD-logG0= -0.010807 tlogG= -0.047654 logG= -0.058461 Density= 0.213080 ETOT(band)= -0.234042 trlgG= -0.294646 logG= -0.058461 TDE= -0.341628 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011137 tlogG= -0.045787 logG= -0.056924 Density= 0.215165 ETOT(band)= -0.232319 trlgG= -0.291734 logG= -0.056924 TDE= -0.341284 logGD-logG0= -0.006101 tlogG= -0.023886 logG= -0.029987 Density= 0.108000 ETOT(band)= -0.116807 trlgG= -0.148047 logG= -0.029987 TDE= -0.171504 logGD-logG0= -0.006140 tlogG= -0.023595 logG= -0.029735 Density= 0.107882 ETOT(band)= -0.116710 trlgG= -0.147635 logG= -0.029735 TDE= -0.171285 logGD-logG0= -0.011461 tlogG= -0.048270 logG= -0.059732 logGD-logG0= -0.011424 tlogG= -0.045617 logG= -0.057042 Density= 0.214566 ETOT(band)= -0.234151 trlgG= -0.296129 logG= -0.059732 TDE= -0.342575 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214510 ETOT(band)= -0.232667 trlgG= -0.291920 logG= -0.057042 TDE= -0.341029 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006089 tlogG= -0.024074 logG= -0.030163 Density= 0.108032 ETOT(band)= -0.116914 trlgG= -0.148343 logG= -0.030163 TDE= -0.171639 logGD-logG0= -0.011612 tlogG= -0.047928 logG= -0.059540 Density= 0.214132 ETOT(band)= -0.234187 trlgG= -0.295824 logG= -0.059540 TDE= -0.342247 logGD-logG0= -0.011234 tlogG= -0.047952 logG= -0.059186 Density= 0.213433 ETOT(band)= -0.234249 trlgG= -0.295286 logG= -0.059186 TDE= -0.341718 logGD-logG0= -0.011499 tlogG= -0.047176 logG= -0.058675 Density= 0.213935 ETOT(band)= -0.233788 trlgG= -0.294355 logG= -0.058675 TDE= -0.341545 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011333 tlogG= -0.047187 logG= -0.058520 Density= 0.213922 ETOT(band)= -0.233745 trlgG= -0.294565 logG= -0.058520 TDE= -0.341904 logGD-logG0= -0.012179 tlogG= -0.047773 logG= -0.059952 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214924 ETOT(band)= -0.234076 trlgG= -0.295961 logG= -0.059952 TDE= -0.342364 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012130 tlogG= -0.048107 logG= -0.060237 Density= 0.215240 ETOT(band)= -0.234131 trlgG= -0.296466 logG= -0.060237 TDE= -0.342740 logGD-logG0= -0.012176 tlogG= -0.047973 logG= -0.060149 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001899 tlogG= -0.006996 logG= -0.008895 Density= 0.036219 ETOT(band)= -0.038131 trlgG= -0.047535 logG= -0.008895 TDE= -0.056562 logGD-logG0= -0.012319 tlogG= -0.048170 logG= -0.060489 logGD-logG0= -0.011979 tlogG= -0.048005 logG= -0.059984 logGD-logG0= -0.001969 tlogG= -0.007308 logG= -0.009277 Density= 0.035867 ETOT(band)= -0.038578 trlgG= -0.048199 logG= -0.009277 TDE= -0.056670 logGD-logG0= -0.011832 tlogG= -0.046437 logG= -0.058270 Density= 0.215371 ETOT(band)= -0.232954 trlgG= -0.293353 logG= -0.058270 TDE= -0.341660 Density= 0.216067 ETOT(band)= -0.233698 trlgG= -0.296387 logG= -0.060149 TDE= -0.343158 Density= 0.215241 ETOT(band)= -0.233985 trlgG= -0.296050 logG= -0.059984 TDE= -0.342578 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215594 ETOT(band)= -0.234149 trlgG= -0.296923 logG= -0.060489 TDE= -0.343121 logGD-logG0= -0.011855 tlogG= -0.047685 logG= -0.059540 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012254 tlogG= -0.047560 logG= -0.059814 Density= 0.215869 ETOT(band)= -0.233581 trlgG= -0.295829 logG= -0.059814 TDE= -0.342837 logGD-logG0= -0.012044 tlogG= -0.047813 logG= -0.059857 logGD-logG0= -0.011100 tlogG= -0.047474 logG= -0.058575 Density= 0.214467 ETOT(band)= -0.233577 trlgG= -0.294688 logG= -0.058575 TDE= -0.342242 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214822 ETOT(band)= -0.234069 trlgG= -0.295793 logG= -0.059857 TDE= -0.342241 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012211 tlogG= -0.048040 logG= -0.060251 Density= 0.215276 ETOT(band)= -0.234122 trlgG= -0.296492 logG= -0.060251 TDE= -0.342771 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012080 tlogG= -0.047331 logG= -0.059411 Density= 0.214425 ETOT(band)= -0.233968 trlgG= -0.295049 logG= -0.059411 TDE= -0.341746 Density= 0.214113 ETOT(band)= -0.234174 trlgG= -0.295576 logG= -0.059540 TDE= -0.341990 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012232 tlogG= -0.047922 logG= -0.060154 Density= 0.215938 ETOT(band)= -0.233770 trlgG= -0.296391 logG= -0.060154 TDE= -0.343094 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011453 tlogG= -0.047251 logG= -0.058704 logGD-logG0= -0.002878 tlogG= -0.010847 logG= -0.013726 Density= 0.214635 ETOT(band)= -0.233538 trlgG= -0.294457 logG= -0.058704 TDE= -0.341965 Density= 0.054098 ETOT(band)= -0.057595 trlgG= -0.071973 logG= -0.013726 TDE= -0.085018 logGD-logG0= -0.012230 tlogG= -0.047445 logG= -0.059676 Density= 0.215634 ETOT(band)= -0.233620 trlgG= -0.295593 logG= -0.059676 TDE= -0.342623 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012272 tlogG= -0.046903 logG= -0.059175 Density= 0.215593 ETOT(band)= -0.233344 trlgG= -0.294793 logG= -0.059175 TDE= -0.342304 logGD-logG0= -0.011518 tlogG= -0.045675 logG= -0.057193 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011729 tlogG= -0.048055 logG= -0.059784 Density= 0.214697 ETOT(band)= -0.234098 trlgG= -0.295875 logG= -0.059784 TDE= -0.342333 Density= 0.215298 ETOT(band)= -0.232394 trlgG= -0.291720 logG= -0.057193 TDE= -0.341067 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011747 tlogG= -0.047177 logG= -0.058924 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215311 ETOT(band)= -0.233354 trlgG= -0.294372 logG= -0.058924 TDE= -0.341994 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005820 tlogG= -0.021889 logG= -0.027709 logGD-logG0= -0.005732 tlogG= -0.021578 logG= -0.027309 Density= 0.108584 ETOT(band)= -0.114889 trlgG= -0.143686 logG= -0.027309 TDE= -0.170110 Density= 0.108396 ETOT(band)= -0.115254 trlgG= -0.144368 logG= -0.027709 TDE= -0.170299 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005647 tlogG= -0.021002 logG= -0.026650 Density= 0.108779 ETOT(band)= -0.114304 trlgG= -0.142526 logG= -0.026650 TDE= -0.169706 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002814 tlogG= -0.010433 logG= -0.013247 Density= 0.054412 ETOT(band)= -0.057079 trlgG= -0.071123 logG= -0.013247 TDE= -0.084802 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005902 tlogG= -0.021831 logG= -0.027733 Density= 0.107860 ETOT(band)= -0.115543 trlgG= -0.144433 logG= -0.027733 TDE= -0.170074 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011677 tlogG= -0.043415 logG= -0.055092 Density= 0.216419 ETOT(band)= -0.230492 trlgG= -0.288217 logG= -0.055092 TDE= -0.340220 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005841 tlogG= -0.021708 logG= -0.027549 Density= 0.108002 ETOT(band)= -0.115352 trlgG= -0.144122 logG= -0.027549 TDE= -0.170017 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001441 tlogG= -0.005623 logG= -0.007063 Density= 0.080892 ETOT(band)= -0.086975 trlgG= -0.109257 logG= -0.007063 TDE= -0.042680 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005423 tlogG= -0.023984 logG= -0.029406 Density= 0.212966 ETOT(band)= -0.234275 trlgG= -0.295250 logG= -0.029406 TDE= -0.170873 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005999 tlogG= -0.022983 logG= -0.028981 logGD-logG0= -0.006028 tlogG= -0.023430 logG= -0.029458 Density= 0.216358 ETOT(band)= -0.232673 trlgG= -0.293919 logG= -0.029458 TDE= -0.171231 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216377 ETOT(band)= -0.232101 trlgG= -0.292303 logG= -0.028981 TDE= -0.170943 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005575 tlogG= -0.024020 logG= -0.029595 Density= 0.214282 ETOT(band)= -0.234093 trlgG= -0.295876 logG= -0.029595 TDE= -0.171273 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005672 tlogG= -0.023850 logG= -0.029522 Density= 0.213733 ETOT(band)= -0.234153 trlgG= -0.295496 logG= -0.029522 TDE= -0.171091 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005484 tlogG= -0.023384 logG= -0.028868 Density= 0.214337 ETOT(band)= -0.233384 trlgG= -0.294085 logG= -0.028868 TDE= -0.170950 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006003 tlogG= -0.023205 logG= -0.029208 Density= 0.215022 ETOT(band)= -0.232967 trlgG= -0.292956 logG= -0.029208 TDE= -0.170662 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.005943 logG= -0.007424 Density= 0.080895 ETOT(band)= -0.087652 trlgG= -0.111010 logG= -0.007424 TDE= -0.042877 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001462 tlogG= -0.005751 logG= -0.007213 Density= 0.080694 ETOT(band)= -0.087402 trlgG= -0.110262 logG= -0.007213 TDE= -0.042757 logGD-logG0= -0.001477 tlogG= -0.005859 logG= -0.007336 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080709 ETOT(band)= -0.087616 trlgG= -0.110815 logG= -0.007336 TDE= -0.042822 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001480 tlogG= -0.005987 logG= -0.007468 Density= 0.081125 ETOT(band)= -0.087556 trlgG= -0.111059 logG= -0.007468 TDE= -0.042907 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006044 tlogG= -0.024017 logG= -0.030061 Density= 0.215856 ETOT(band)= -0.233870 trlgG= -0.296546 logG= -0.030061 TDE= -0.171621 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001716 tlogG= -0.007970 logG= -0.009686 Density= 0.070917 ETOT(band)= -0.077952 trlgG= -0.098044 logG= -0.009686 TDE= -0.056976 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006078 tlogG= -0.023494 logG= -0.029572 Density= 0.215375 ETOT(band)= -0.233340 trlgG= -0.294637 logG= -0.029572 TDE= -0.171211 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006007 tlogG= -0.024015 logG= -0.030021 Density= 0.216526 ETOT(band)= -0.233356 trlgG= -0.296059 logG= -0.030021 TDE= -0.171638 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006079 tlogG= -0.023815 logG= -0.029894 Density= 0.215501 ETOT(band)= -0.233774 trlgG= -0.295896 logG= -0.029894 TDE= -0.171468 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006139 tlogG= -0.024138 logG= -0.030277 Density= 0.215890 ETOT(band)= -0.234025 trlgG= -0.296960 logG= -0.030277 TDE= -0.171654 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.024143 logG= -0.029293 Density= 0.212326 ETOT(band)= -0.234378 trlgG= -0.295463 logG= -0.029293 TDE= -0.171020 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005606 tlogG= -0.024019 logG= -0.029625 Density= 0.321811 ETOT(band)= -0.351119 trlgG= -0.443952 logG= -0.029625 TDE= -0.171268 logGD-logG0= -0.005904 tlogG= -0.023857 logG= -0.029762 Density= 0.215663 ETOT(band)= -0.233771 trlgG= -0.295999 logG= -0.029762 TDE= -0.171157 logGD-logG0= -0.012044 tlogG= -0.047817 logG= -0.059861 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011821 tlogG= -0.045653 logG= -0.057474 Density= 0.324269 ETOT(band)= -0.347973 trlgG= -0.437545 logG= -0.057474 TDE= -0.341541 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324604 ETOT(band)= -0.349938 trlgG= -0.443591 logG= -0.059861 TDE= -0.343116 logGD-logG0= -0.006000 tlogG= -0.023972 logG= -0.029971 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216559 ETOT(band)= -0.233252 trlgG= -0.295827 logG= -0.029971 TDE= -0.171611 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023752 logG= -0.029030 logGD-logG0= -0.001855 tlogG= -0.006878 logG= -0.008733 Density= 0.040874 ETOT(band)= -0.042679 trlgG= -0.053120 logG= -0.008733 TDE= -0.056476 logGD-logG0= -0.005875 tlogG= -0.024175 logG= -0.030050 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.006021 tlogG= -0.023777 logG= -0.029798 Density= 0.322694 ETOT(band)= -0.351235 trlgG= -0.444616 logG= -0.030050 TDE= -0.171273 logGD-logG0= -0.001392 tlogG= -0.005174 logG= -0.006566 Density= 0.062583 ETOT(band)= -0.067549 trlgG= -0.084720 logG= -0.006566 TDE= -0.042370 Density= 0.216444 ETOT(band)= -0.233053 trlgG= -0.295125 logG= -0.029798 TDE= -0.171470 logGD-logG0= -0.005912 tlogG= -0.023970 logG= -0.029882 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012090 tlogG= -0.046444 logG= -0.058534 Density= 0.324232 ETOT(band)= -0.348914 trlgG= -0.440164 logG= -0.058534 TDE= -0.342166 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214505 ETOT(band)= -0.234102 trlgG= -0.295655 logG= -0.029882 TDE= -0.171106 Density= 0.213237 ETOT(band)= -0.233595 trlgG= -0.293527 logG= -0.029030 TDE= -0.170822 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012339 tlogG= -0.048068 logG= -0.060407 Density= 0.323502 ETOT(band)= -0.351002 trlgG= -0.444951 logG= -0.060407 TDE= -0.343110 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005937 tlogG= -0.022453 logG= -0.028390 Density= 0.216515 ETOT(band)= -0.231306 trlgG= -0.290317 logG= -0.028390 TDE= -0.170609 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006077 tlogG= -0.024096 logG= -0.030173 Density= 0.323317 ETOT(band)= -0.351209 trlgG= -0.445256 logG= -0.030173 TDE= -0.171467 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012093 tlogG= -0.047266 logG= -0.059358 Density= 0.324379 ETOT(band)= -0.349569 trlgG= -0.442248 logG= -0.059358 TDE= -0.342724 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005758 tlogG= -0.023892 logG= -0.029651 logGD-logG0= -0.005850 tlogG= -0.024170 logG= -0.030020 Density= 0.213948 ETOT(band)= -0.234015 trlgG= -0.294756 logG= -0.029651 TDE= -0.170836 Density= 0.214909 ETOT(band)= -0.234176 trlgG= -0.296264 logG= -0.030020 TDE= -0.171278 logGD-logG0= -0.005446 tlogG= -0.023901 logG= -0.029348 Density= 0.213437 ETOT(band)= -0.233868 trlgG= -0.294249 logG= -0.029348 TDE= -0.170824 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023598 logG= -0.028931 Density= 0.212771 ETOT(band)= -0.234000 trlgG= -0.294509 logG= -0.028931 TDE= -0.170737 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011340 tlogG= -0.046631 logG= -0.057970 Density= 0.322933 ETOT(band)= -0.349036 trlgG= -0.439000 logG= -0.057970 TDE= -0.341693 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005855 tlogG= -0.023256 logG= -0.029111 Density= 0.321944 ETOT(band)= -0.350579 trlgG= -0.442224 logG= -0.029111 TDE= -0.170897 logGD-logG0= -0.005514 tlogG= -0.023381 logG= -0.028895 Density= 0.321868 ETOT(band)= -0.350076 trlgG= -0.441378 logG= -0.028895 TDE= -0.170942 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005619 tlogG= -0.023258 logG= -0.028877 Density= 0.213651 ETOT(band)= -0.233623 trlgG= -0.293982 logG= -0.028877 TDE= -0.170787 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006173 tlogG= -0.023973 logG= -0.030147 Density= 0.323917 ETOT(band)= -0.350679 trlgG= -0.444689 logG= -0.030147 TDE= -0.171526 logGD-logG0= -0.006189 tlogG= -0.023914 logG= -0.030103 logGD-logG0= -0.010650 tlogG= -0.048119 logG= -0.058769 Density= 0.425845 ETOT(band)= -0.468351 trlgG= -0.589991 logG= -0.058769 TDE= -0.341862 Density= 0.215816 ETOT(band)= -0.233772 trlgG= -0.296275 logG= -0.030103 TDE= -0.171477 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001852 tlogG= -0.007592 logG= -0.009444 logGD-logG0= -0.005801 tlogG= -0.022916 logG= -0.028717 Density= 0.214944 ETOT(band)= -0.232416 trlgG= -0.291427 logG= -0.028717 TDE= -0.170473 logGD-logG0= -0.006239 tlogG= -0.023700 logG= -0.029939 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215575 ETOT(band)= -0.233623 trlgG= -0.295582 logG= -0.029939 TDE= -0.171300 Density= 0.071545 ETOT(band)= -0.077353 trlgG= -0.096739 logG= -0.009444 TDE= -0.056751 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006267 tlogG= -0.023366 logG= -0.029633 Density= 0.215268 ETOT(band)= -0.233365 trlgG= -0.294447 logG= -0.029633 TDE= -0.171006 logGD-logG0= -0.011310 tlogG= -0.047866 logG= -0.059177 Density= 0.428360 ETOT(band)= -0.468169 trlgG= -0.591340 logG= -0.059177 TDE= -0.342351 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011127 tlogG= -0.046736 logG= -0.057863 Density= 0.428191 ETOT(band)= -0.466154 trlgG= -0.585348 logG= -0.057863 TDE= -0.341304 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011926 tlogG= -0.047693 logG= -0.059620 Density= 0.428618 ETOT(band)= -0.468152 trlgG= -0.590667 logG= -0.059620 TDE= -0.341992 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011808 tlogG= -0.048175 logG= -0.059983 Density= 0.429634 ETOT(band)= -0.468284 trlgG= -0.592091 logG= -0.059983 TDE= -0.342396 logGD-logG0= -0.011287 tlogG= -0.047790 logG= -0.059077 logGD-logG0= -0.011937 tlogG= -0.048247 logG= -0.060183 logGD-logG0= -0.012406 tlogG= -0.047724 logG= -0.060130 Density= 0.427492 ETOT(band)= -0.467931 trlgG= -0.589337 logG= -0.059077 TDE= -0.341584 Density= 0.430374 ETOT(band)= -0.468290 trlgG= -0.592849 logG= -0.060183 TDE= -0.342615 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431429 ETOT(band)= -0.467493 trlgG= -0.592152 logG= -0.060130 TDE= -0.342863 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011334 tlogG= -0.047671 logG= -0.059005 Density= 0.426991 ETOT(band)= -0.468378 trlgG= -0.590495 logG= -0.059005 TDE= -0.341883 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012145 tlogG= -0.048095 logG= -0.060241 Density= 0.430479 ETOT(band)= -0.468121 trlgG= -0.592520 logG= -0.060241 TDE= -0.342740 logGD-logG0= -0.005731 tlogG= -0.021315 logG= -0.027046 Density= 0.162761 ETOT(band)= -0.173005 trlgG= -0.217208 logG= -0.027046 TDE= -0.169922 logGD-logG0= -0.012312 tlogG= -0.047753 logG= -0.060065 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431085 ETOT(band)= -0.467548 trlgG= -0.591798 logG= -0.060065 TDE= -0.342756 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011978 tlogG= -0.046956 logG= -0.058934 Density= 0.430195 ETOT(band)= -0.466498 trlgG= -0.587688 logG= -0.058934 TDE= -0.341707 logGD-logG0= -0.011168 tlogG= -0.046634 logG= -0.057802 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012326 tlogG= -0.048050 logG= -0.060376 Density= 0.428404 ETOT(band)= -0.466872 trlgG= -0.587950 logG= -0.057802 TDE= -0.341719 Density= 0.431673 ETOT(band)= -0.467776 trlgG= -0.593139 logG= -0.060376 TDE= -0.343128 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011977 tlogG= -0.047983 logG= -0.059959 logGD-logG0= -0.011666 tlogG= -0.047586 logG= -0.059252 Density= 0.428926 ETOT(band)= -0.467500 trlgG= -0.589702 logG= -0.059252 TDE= -0.342036 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429536 ETOT(band)= -0.468245 trlgG= -0.591740 logG= -0.059959 TDE= -0.342239 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005666 tlogG= -0.022340 logG= -0.028006 logGD-logG0= -0.011480 tlogG= -0.047879 logG= -0.059359 Density= 0.323093 ETOT(band)= -0.348008 trlgG= -0.436621 logG= -0.028006 TDE= -0.170290 logGD-logG0= -0.012375 tlogG= -0.047292 logG= -0.059667 Density= 0.430809 ETOT(band)= -0.467123 trlgG= -0.590332 logG= -0.059667 TDE= -0.342372 Density= 0.429463 ETOT(band)= -0.467948 trlgG= -0.591293 logG= -0.059359 TDE= -0.342336 logGD-logG0= -0.011901 tlogG= -0.047595 logG= -0.059496 Density= 0.430333 ETOT(band)= -0.467143 trlgG= -0.589617 logG= -0.059496 TDE= -0.342153 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.005471 logG= -0.006903 Density= 0.081253 ETOT(band)= -0.086364 trlgG= -0.108020 logG= -0.006903 TDE= -0.042583 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011610 tlogG= -0.044647 logG= -0.056257 Density= 0.324504 ETOT(band)= -0.346707 trlgG= -0.434546 logG= -0.056257 TDE= -0.340862 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011595 tlogG= -0.046427 logG= -0.058021 Density= 0.429833 ETOT(band)= -0.465586 trlgG= -0.584993 logG= -0.058021 TDE= -0.341414 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001968 tlogG= -0.007121 logG= -0.009090 Density= 0.072276 ETOT(band)= -0.076489 trlgG= -0.095418 logG= -0.009090 TDE= -0.056637 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005781 tlogG= -0.022305 logG= -0.028086 Density= 0.214407 ETOT(band)= -0.232457 trlgG= -0.291196 logG= -0.028086 TDE= -0.170209 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005751 tlogG= -0.022485 logG= -0.028235 Density= 0.215167 ETOT(band)= -0.231683 trlgG= -0.289790 logG= -0.028235 TDE= -0.170223 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005625 tlogG= -0.022340 logG= -0.027965 Density= 0.215174 ETOT(band)= -0.231971 trlgG= -0.290834 logG= -0.027965 TDE= -0.170296 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005908 tlogG= -0.021893 logG= -0.027801 Density= 0.216770 ETOT(band)= -0.230310 trlgG= -0.288220 logG= -0.027801 TDE= -0.170268 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001411 tlogG= -0.005310 logG= -0.006721 Density= 0.081610 ETOT(band)= -0.085698 trlgG= -0.106857 logG= -0.006721 TDE= -0.042471 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005815 tlogG= -0.021365 logG= -0.027179 Density= 0.217159 ETOT(band)= -0.229207 trlgG= -0.286009 logG= -0.027179 TDE= -0.169936 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011480 tlogG= -0.044651 logG= -0.056131 Density= 0.431895 ETOT(band)= -0.462126 trlgG= -0.578219 logG= -0.056131 TDE= -0.340499 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005772 tlogG= -0.021220 logG= -0.026992 Density= 0.216486 ETOT(band)= -0.230065 trlgG= -0.287272 logG= -0.026992 TDE= -0.169842 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.837402546915 eV TrLogG= -409.797599699429 eV Ratio to renormalize= 0.999290777335 rho-rho_expected= 0.015613972406 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964787642971070 0.940668901108019 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002748 tlogG= -0.011458 logG= -0.014206 Density= 0.053776 ETOT(band)= -0.058082 trlgG= -0.072945 logG= -0.014206 TDE= -0.085350 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005768 tlogG= -0.022191 logG= -0.027959 Density= 0.108437 ETOT(band)= -0.115456 trlgG= -0.144828 logG= -0.027959 TDE= -0.170529 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006122 tlogG= -0.023704 logG= -0.029826 Density= 0.107320 ETOT(band)= -0.117022 trlgG= -0.147737 logG= -0.029826 TDE= -0.171018 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005939 tlogG= -0.022894 logG= -0.028833 Density= 0.107698 ETOT(band)= -0.116320 trlgG= -0.146223 logG= -0.028833 TDE= -0.170684 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 logGD-logG0= -0.005546 tlogG= -0.023708 logG= -0.029254 Density= 0.107058 ETOT(band)= -0.116863 trlgG= -0.147382 logG= -0.029254 TDE= -0.171106 Density= 0.004546 ETOT(band)= -0.004734 trlgG= -0.005889 logG= -0.001083 TDE= -0.007055 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006132 tlogG= -0.023214 logG= -0.029346 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.107769 ETOT(band)= -0.116567 trlgG= -0.147032 logG= -0.029346 TDE= -0.171015 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002743 tlogG= -0.011894 logG= -0.014637 Density= 0.053603 ETOT(band)= -0.058412 trlgG= -0.073712 logG= -0.014637 TDE= -0.085600 logGD-logG0= -0.005574 tlogG= -0.022873 logG= -0.028446 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107376 ETOT(band)= -0.116261 trlgG= -0.145946 logG= -0.028446 TDE= -0.170634 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002876 tlogG= -0.010851 logG= -0.013727 Density= 0.054101 ETOT(band)= -0.057604 trlgG= -0.071984 logG= -0.013727 TDE= -0.085029 logGD-logG0= -0.002838 tlogG= -0.012092 logG= -0.014931 Density= 0.053628 ETOT(band)= -0.058555 trlgG= -0.074072 logG= -0.014931 TDE= -0.085680 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003018 tlogG= -0.012042 logG= -0.015060 Density= 0.053808 ETOT(band)= -0.058544 trlgG= -0.074127 logG= -0.015060 TDE= -0.085694 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001768 tlogG= -0.007818 logG= -0.009585 Density= 0.035518 ETOT(band)= -0.038932 trlgG= -0.048909 logG= -0.009585 TDE= -0.056899 logGD-logG0= -0.001690 tlogG= -0.008051 logG= -0.009741 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035340 ETOT(band)= -0.039083 trlgG= -0.049276 logG= -0.009741 TDE= -0.057023 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002967 tlogG= -0.011996 logG= -0.014963 Density= 0.054184 ETOT(band)= -0.058308 trlgG= -0.073983 logG= -0.014963 TDE= -0.085834 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005969 tlogG= -0.023787 logG= -0.029756 Density= 0.108269 ETOT(band)= -0.116564 trlgG= -0.147696 logG= -0.029756 TDE= -0.171516 logGD-logG0= -0.005852 tlogG= -0.022479 logG= -0.028331 Density= 0.108283 ETOT(band)= -0.115761 trlgG= -0.145438 logG= -0.028331 TDE= -0.170691 logGD-logG0= -0.005964 tlogG= -0.023453 logG= -0.029418 Density= 0.108218 ETOT(band)= -0.116402 trlgG= -0.147161 logG= -0.029418 TDE= -0.171295 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005663 tlogG= -0.023708 logG= -0.029371 Density= 0.107463 ETOT(band)= -0.116744 trlgG= -0.147283 logG= -0.029371 TDE= -0.171089 logGD-logG0= -0.006110 tlogG= -0.024090 logG= -0.030200 logGD-logG0= -0.005921 tlogG= -0.023005 logG= -0.028926 Density= 0.107734 ETOT(band)= -0.117089 trlgG= -0.148398 logG= -0.030200 TDE= -0.171511 Density= 0.108218 ETOT(band)= -0.116133 trlgG= -0.146386 logG= -0.028926 TDE= -0.171012 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003038 tlogG= -0.012000 logG= -0.015038 logGD-logG0= -0.005955 tlogG= -0.023974 logG= -0.029928 logGD-logG0= -0.005394 tlogG= -0.024063 logG= -0.029457 Density= 0.106471 ETOT(band)= -0.117172 trlgG= -0.147699 logG= -0.029457 TDE= -0.170929 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005827 tlogG= -0.024112 logG= -0.029940 Density= 0.107468 ETOT(band)= -0.117053 trlgG= -0.148023 logG= -0.029940 TDE= -0.171263 logGD-logG0= -0.005199 tlogG= -0.023993 logG= -0.029192 Density= 0.106250 ETOT(band)= -0.117141 trlgG= -0.147583 logG= -0.029192 TDE= -0.170968 Density= 0.054029 ETOT(band)= -0.058428 trlgG= -0.074107 logG= -0.015038 TDE= -0.085806 logGD-logG0= -0.005173 tlogG= -0.024070 logG= -0.029243 Density= 0.106198 ETOT(band)= -0.117184 trlgG= -0.147697 logG= -0.029243 TDE= -0.171006 Density= 0.108321 ETOT(band)= -0.116640 trlgG= -0.147972 logG= -0.029928 TDE= -0.171647 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006109 tlogG= -0.024112 logG= -0.030221 Density= 0.107980 ETOT(band)= -0.116998 trlgG= -0.148457 logG= -0.030221 TDE= -0.171670 logGD-logG0= -0.006143 tlogG= -0.024158 logG= -0.030301 logGD-logG0= -0.005945 tlogG= -0.023628 logG= -0.029573 Density= 0.107903 ETOT(band)= -0.117085 trlgG= -0.148583 logG= -0.030301 TDE= -0.171679 Density= 0.108293 ETOT(band)= -0.116449 trlgG= -0.147404 logG= -0.029573 TDE= -0.171419 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005841 tlogG= -0.023658 logG= -0.029499 logGD-logG0= -0.005942 tlogG= -0.023895 logG= -0.029837 logGD-logG0= -0.005847 tlogG= -0.022756 logG= -0.028602 Density= 0.108330 ETOT(band)= -0.115897 trlgG= -0.145873 logG= -0.028602 TDE= -0.170877 logGD-logG0= -0.006142 tlogG= -0.023920 logG= -0.030062 logGD-logG0= -0.005914 tlogG= -0.023238 logG= -0.029152 Density= 0.108341 ETOT(band)= -0.116575 trlgG= -0.147823 logG= -0.029837 TDE= -0.171599 Density= 0.107063 ETOT(band)= -0.116950 trlgG= -0.147191 logG= -0.029499 TDE= -0.170672 Density= 0.107843 ETOT(band)= -0.116955 trlgG= -0.148181 logG= -0.030062 TDE= -0.171485 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108280 ETOT(band)= -0.116226 trlgG= -0.146741 logG= -0.029152 TDE= -0.171171 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005550 tlogG= -0.023008 logG= -0.028558 Density= 0.106950 ETOT(band)= -0.116513 trlgG= -0.146104 logG= -0.028558 TDE= -0.170471 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005690 tlogG= -0.022869 logG= -0.028559 logGD-logG0= -0.005526 tlogG= -0.023686 logG= -0.029212 Density= 0.107828 ETOT(band)= -0.116116 trlgG= -0.145809 logG= -0.028559 TDE= -0.170609 Density= 0.106679 ETOT(band)= -0.116979 trlgG= -0.147283 logG= -0.029212 TDE= -0.170862 logGD-logG0= -0.005750 tlogG= -0.023908 logG= -0.029658 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106843 ETOT(band)= -0.117133 trlgG= -0.147806 logG= -0.029658 TDE= -0.171019 logGD-logG0= -0.005840 tlogG= -0.022428 logG= -0.028267 Density= 0.107713 ETOT(band)= -0.115988 trlgG= -0.145328 logG= -0.028267 TDE= -0.170362 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005577 tlogG= -0.023517 logG= -0.029094 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106855 ETOT(band)= -0.116833 trlgG= -0.146848 logG= -0.029094 TDE= -0.170631 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005718 tlogG= -0.024090 logG= -0.029808 logGD-logG0= -0.006063 tlogG= -0.023987 logG= -0.030049 Density= 0.107144 ETOT(band)= -0.117114 trlgG= -0.148056 logG= -0.029808 TDE= -0.171267 Density= 0.107534 ETOT(band)= -0.117075 trlgG= -0.148129 logG= -0.030049 TDE= -0.171293 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002812 tlogG= -0.010436 logG= -0.013249 Density= 0.054416 ETOT(band)= -0.057088 trlgG= -0.071134 logG= -0.013249 TDE= -0.084813 logGD-logG0= -0.010803 tlogG= -0.047667 logG= -0.058470 logGD-logG0= -0.006096 tlogG= -0.023894 logG= -0.029991 Density= 0.108007 ETOT(band)= -0.116825 trlgG= -0.148072 logG= -0.029991 TDE= -0.171529 Density= 0.213089 ETOT(band)= -0.234081 trlgG= -0.294699 logG= -0.058470 TDE= -0.341676 logGD-logG0= -0.011455 tlogG= -0.048285 logG= -0.059741 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214578 ETOT(band)= -0.234188 trlgG= -0.296180 logG= -0.059741 TDE= -0.342623 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006135 tlogG= -0.023604 logG= -0.029739 Density= 0.107889 ETOT(band)= -0.116728 trlgG= -0.147659 logG= -0.029739 TDE= -0.171310 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011131 tlogG= -0.045801 logG= -0.056932 Density= 0.215177 ETOT(band)= -0.232355 trlgG= -0.291784 logG= -0.056932 TDE= -0.341332 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011606 tlogG= -0.047943 logG= -0.059549 Density= 0.214144 ETOT(band)= -0.234225 trlgG= -0.295876 logG= -0.059549 TDE= -0.342296 logGD-logG0= -0.011327 tlogG= -0.047202 logG= -0.058529 Density= 0.213933 ETOT(band)= -0.233783 trlgG= -0.294618 logG= -0.058529 TDE= -0.341953 logGD-logG0= -0.011418 tlogG= -0.045632 logG= -0.057050 Density= 0.214521 ETOT(band)= -0.232704 trlgG= -0.291972 logG= -0.057050 TDE= -0.341077 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006084 tlogG= -0.024083 logG= -0.030167 Density= 0.108039 ETOT(band)= -0.116931 trlgG= -0.148367 logG= -0.030167 TDE= -0.171664 logGD-logG0= -0.011512 tlogG= -0.045689 logG= -0.057201 Density= 0.215310 ETOT(band)= -0.232430 trlgG= -0.291769 logG= -0.057201 TDE= -0.341115 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011497 tlogG= -0.047187 logG= -0.058684 Density= 0.213946 ETOT(band)= -0.233826 trlgG= -0.294407 logG= -0.058684 TDE= -0.341594 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011232 tlogG= -0.047964 logG= -0.059195 Density= 0.213443 ETOT(band)= -0.234288 trlgG= -0.295340 logG= -0.059195 TDE= -0.341767 logGD-logG0= -0.012174 tlogG= -0.047787 logG= -0.059961 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214938 ETOT(band)= -0.234112 trlgG= -0.296012 logG= -0.059961 TDE= -0.342414 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012125 tlogG= -0.048121 logG= -0.060245 Density= 0.215254 ETOT(band)= -0.234166 trlgG= -0.296517 logG= -0.060245 TDE= -0.342790 logGD-logG0= -0.011094 tlogG= -0.047489 logG= -0.058583 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214479 ETOT(band)= -0.233614 trlgG= -0.294739 logG= -0.058583 TDE= -0.342291 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012314 tlogG= -0.048184 logG= -0.060498 Density= 0.215609 ETOT(band)= -0.234184 trlgG= -0.296974 logG= -0.060498 TDE= -0.343170 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001968 tlogG= -0.007311 logG= -0.009278 Density= 0.035869 ETOT(band)= -0.038584 trlgG= -0.048207 logG= -0.009278 TDE= -0.056678 logGD-logG0= -0.012039 tlogG= -0.047827 logG= -0.059866 Density= 0.214836 ETOT(band)= -0.234105 trlgG= -0.295845 logG= -0.059866 TDE= -0.342291 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001898 tlogG= -0.006999 logG= -0.008896 Density= 0.036221 ETOT(band)= -0.038137 trlgG= -0.047542 logG= -0.008896 TDE= -0.056570 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012166 tlogG= -0.047991 logG= -0.060157 logGD-logG0= -0.011850 tlogG= -0.047698 logG= -0.059549 logGD-logG0= -0.012077 tlogG= -0.047343 logG= -0.059420 Density= 0.214437 ETOT(band)= -0.234005 trlgG= -0.295100 logG= -0.059420 TDE= -0.341795 Density= 0.216082 ETOT(band)= -0.233733 trlgG= -0.296436 logG= -0.060157 TDE= -0.343207 Density= 0.214125 ETOT(band)= -0.234212 trlgG= -0.295628 logG= -0.059549 TDE= -0.342038 logGD-logG0= -0.012244 tlogG= -0.047578 logG= -0.059822 logGD-logG0= -0.012206 tlogG= -0.048054 logG= -0.060259 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011827 tlogG= -0.046450 logG= -0.058278 Density= 0.215384 ETOT(band)= -0.232989 trlgG= -0.293403 logG= -0.058278 TDE= -0.341708 Density= 0.215883 ETOT(band)= -0.233615 trlgG= -0.295878 logG= -0.059822 TDE= -0.342886 Density= 0.215291 ETOT(band)= -0.234157 trlgG= -0.296543 logG= -0.060259 TDE= -0.342820 logGD-logG0= -0.011723 tlogG= -0.048070 logG= -0.059793 Density= 0.214710 ETOT(band)= -0.234134 trlgG= -0.295925 logG= -0.059793 TDE= -0.342381 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011974 tlogG= -0.048018 logG= -0.059992 Density= 0.215255 ETOT(band)= -0.234021 trlgG= -0.296101 logG= -0.059992 TDE= -0.342628 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011447 tlogG= -0.047265 logG= -0.058712 logGD-logG0= -0.012222 tlogG= -0.047939 logG= -0.060162 Density= 0.214647 ETOT(band)= -0.233575 trlgG= -0.294508 logG= -0.058712 TDE= -0.342013 Density= 0.215953 ETOT(band)= -0.233804 trlgG= -0.296440 logG= -0.060162 TDE= -0.343143 logGD-logG0= -0.012268 tlogG= -0.046916 logG= -0.059184 Density= 0.215607 ETOT(band)= -0.233379 trlgG= -0.294843 logG= -0.059184 TDE= -0.342352 logGD-logG0= -0.012226 tlogG= -0.047458 logG= -0.059684 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215649 ETOT(band)= -0.233655 trlgG= -0.295643 logG= -0.059684 TDE= -0.342672 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011742 tlogG= -0.047191 logG= -0.058933 Density= 0.215325 ETOT(band)= -0.233389 trlgG= -0.294422 logG= -0.058933 TDE= -0.342043 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005465 tlogG= -0.023224 logG= -0.028688 Density= 0.106815 ETOT(band)= -0.116644 trlgG= -0.146367 logG= -0.028688 TDE= -0.170536 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005728 tlogG= -0.021585 logG= -0.027313 Density= 0.108591 ETOT(band)= -0.114906 trlgG= -0.143709 logG= -0.027313 TDE= -0.170133 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005643 tlogG= -0.021010 logG= -0.026653 Density= 0.108786 ETOT(band)= -0.114321 trlgG= -0.142549 logG= -0.026653 TDE= -0.169729 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005816 tlogG= -0.021896 logG= -0.027712 Density= 0.108402 ETOT(band)= -0.115271 trlgG= -0.144392 logG= -0.027712 TDE= -0.170322 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005899 tlogG= -0.021838 logG= -0.027737 Density= 0.107866 ETOT(band)= -0.115561 trlgG= -0.144457 logG= -0.027737 TDE= -0.170097 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011670 tlogG= -0.043429 logG= -0.055099 Density= 0.216432 ETOT(band)= -0.230527 trlgG= -0.288264 logG= -0.055099 TDE= -0.340267 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005838 tlogG= -0.021715 logG= -0.027552 Density= 0.108008 ETOT(band)= -0.115369 trlgG= -0.144145 logG= -0.027552 TDE= -0.170041 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001440 tlogG= -0.005625 logG= -0.007064 Density= 0.080897 ETOT(band)= -0.086988 trlgG= -0.109275 logG= -0.007064 TDE= -0.042686 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005934 tlogG= -0.022460 logG= -0.028394 Density= 0.216528 ETOT(band)= -0.231341 trlgG= -0.290365 logG= -0.028394 TDE= -0.170632 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005909 tlogG= -0.023978 logG= -0.029887 Density= 0.214518 ETOT(band)= -0.234139 trlgG= -0.295707 logG= -0.029887 TDE= -0.171130 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005481 tlogG= -0.023392 logG= -0.028873 Density= 0.214348 ETOT(band)= -0.233421 trlgG= -0.294137 logG= -0.028873 TDE= -0.170975 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006002 tlogG= -0.023211 logG= -0.029212 Density= 0.215034 ETOT(band)= -0.233003 trlgG= -0.293006 logG= -0.029212 TDE= -0.170686 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006265 tlogG= -0.023372 logG= -0.029637 Density= 0.215282 ETOT(band)= -0.233401 trlgG= -0.294497 logG= -0.029637 TDE= -0.171031 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001853 tlogG= -0.006881 logG= -0.008734 Density= 0.040876 ETOT(band)= -0.042686 trlgG= -0.053129 logG= -0.008734 TDE= -0.056484 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005331 tlogG= -0.023605 logG= -0.028936 Density= 0.212780 ETOT(band)= -0.234040 trlgG= -0.294563 logG= -0.028936 TDE= -0.170761 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001461 tlogG= -0.005753 logG= -0.007214 Density= 0.080699 ETOT(band)= -0.087415 trlgG= -0.110280 logG= -0.007214 TDE= -0.042763 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005445 tlogG= -0.023907 logG= -0.029352 Density= 0.213447 ETOT(band)= -0.233907 trlgG= -0.294301 logG= -0.029352 TDE= -0.170848 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001851 tlogG= -0.007595 logG= -0.009445 Density= 0.071549 ETOT(band)= -0.077366 trlgG= -0.096756 logG= -0.009445 TDE= -0.056760 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001476 tlogG= -0.005861 logG= -0.007337 Density= 0.080714 ETOT(band)= -0.087630 trlgG= -0.110834 logG= -0.007337 TDE= -0.042828 logGD-logG0= -0.005800 tlogG= -0.022922 logG= -0.028722 Density= 0.214956 ETOT(band)= -0.232452 trlgG= -0.291478 logG= -0.028722 TDE= -0.170497 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001430 tlogG= -0.005473 logG= -0.006903 Density= 0.081258 ETOT(band)= -0.086377 trlgG= -0.108038 logG= -0.006903 TDE= -0.042589 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001480 tlogG= -0.005945 logG= -0.007425 Density= 0.080900 ETOT(band)= -0.087665 trlgG= -0.111029 logG= -0.007425 TDE= -0.042883 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.005312 logG= -0.006722 Density= 0.081615 ETOT(band)= -0.085711 trlgG= -0.106874 logG= -0.006722 TDE= -0.042477 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001479 tlogG= -0.005989 logG= -0.007468 Density= 0.081130 ETOT(band)= -0.087569 trlgG= -0.111077 logG= -0.007468 TDE= -0.042913 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001715 tlogG= -0.007972 logG= -0.009687 logGD-logG0= -0.006039 tlogG= -0.024025 logG= -0.030064 Density= 0.215872 ETOT(band)= -0.233904 trlgG= -0.296596 logG= -0.030064 TDE= -0.171645 Density= 0.070919 ETOT(band)= -0.077966 trlgG= -0.098062 logG= -0.009687 TDE= -0.056984 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006076 tlogG= -0.023500 logG= -0.029576 Density= 0.215389 ETOT(band)= -0.233375 trlgG= -0.294687 logG= -0.029576 TDE= -0.171235 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006074 tlogG= -0.023823 logG= -0.029898 Density= 0.215515 ETOT(band)= -0.233809 trlgG= -0.295946 logG= -0.029898 TDE= -0.171493 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005622 tlogG= -0.022347 logG= -0.027969 logGD-logG0= -0.005148 tlogG= -0.024150 logG= -0.029298 Density= 0.212334 ETOT(band)= -0.234419 trlgG= -0.295518 logG= -0.029298 TDE= -0.171045 Density= 0.215186 ETOT(band)= -0.232007 trlgG= -0.290884 logG= -0.027969 TDE= -0.170320 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.006134 tlogG= -0.024147 logG= -0.030281 Density= 0.215905 ETOT(band)= -0.234060 trlgG= -0.297010 logG= -0.030281 TDE= -0.171678 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005904 tlogG= -0.021901 logG= -0.027805 Density= 0.216783 ETOT(band)= -0.230344 trlgG= -0.288266 logG= -0.027805 TDE= -0.170291 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.006002 tlogG= -0.024023 logG= -0.030025 Density= 0.216542 ETOT(band)= -0.233390 trlgG= -0.296107 logG= -0.030025 TDE= -0.171662 logGD-logG0= -0.001391 tlogG= -0.005176 logG= -0.006567 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062586 ETOT(band)= -0.067560 trlgG= -0.084735 logG= -0.006567 TDE= -0.042375 logGD-logG0= -0.005811 tlogG= -0.021372 logG= -0.027183 Density= 0.217173 ETOT(band)= -0.229241 trlgG= -0.286055 logG= -0.027183 TDE= -0.169959 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012034 tlogG= -0.047834 logG= -0.059868 logGD-logG0= -0.005511 tlogG= -0.023388 logG= -0.028899 Density= 0.321886 ETOT(band)= -0.350132 trlgG= -0.441455 logG= -0.028899 TDE= -0.170966 logGD-logG0= -0.011816 tlogG= -0.045666 logG= -0.057482 Density= 0.324289 ETOT(band)= -0.348025 trlgG= -0.437617 logG= -0.057482 TDE= -0.341589 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324627 ETOT(band)= -0.349989 trlgG= -0.443663 logG= -0.059868 TDE= -0.343165 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005902 tlogG= -0.023864 logG= -0.029766 logGD-logG0= -0.005421 tlogG= -0.023990 logG= -0.029411 logGD-logG0= -0.006074 tlogG= -0.024102 logG= -0.030177 Density= 0.215678 ETOT(band)= -0.233806 trlgG= -0.296050 logG= -0.029766 TDE= -0.171181 Density= 0.323339 ETOT(band)= -0.351262 trlgG= -0.445333 logG= -0.030177 TDE= -0.171492 Density= 0.212975 ETOT(band)= -0.234315 trlgG= -0.295303 logG= -0.029411 TDE= -0.170897 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005872 tlogG= -0.024182 logG= -0.030055 logGD-logG0= -0.005603 tlogG= -0.024027 logG= -0.029630 Density= 0.321830 ETOT(band)= -0.351175 trlgG= -0.444028 logG= -0.029630 TDE= -0.171292 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006016 tlogG= -0.023786 logG= -0.029801 Density= 0.216460 ETOT(band)= -0.233087 trlgG= -0.295173 logG= -0.029801 TDE= -0.171494 Density= 0.322715 ETOT(band)= -0.351289 trlgG= -0.444692 logG= -0.030055 TDE= -0.171297 logGD-logG0= -0.005852 tlogG= -0.023263 logG= -0.029115 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321963 ETOT(band)= -0.350634 trlgG= -0.442301 logG= -0.029115 TDE= -0.170921 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012083 tlogG= -0.047283 logG= -0.059366 Density= 0.324401 ETOT(band)= -0.349621 trlgG= -0.442321 logG= -0.059366 TDE= -0.342772 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006023 tlogG= -0.023438 logG= -0.029461 Density= 0.216372 ETOT(band)= -0.232708 trlgG= -0.293967 logG= -0.029461 TDE= -0.171255 logGD-logG0= -0.005995 tlogG= -0.023980 logG= -0.029975 Density= 0.216575 ETOT(band)= -0.233286 trlgG= -0.295874 logG= -0.029975 TDE= -0.171635 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012332 tlogG= -0.048084 logG= -0.060416 Density= 0.323524 ETOT(band)= -0.351055 trlgG= -0.445027 logG= -0.060416 TDE= -0.343160 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012082 tlogG= -0.046461 logG= -0.058542 logGD-logG0= -0.005757 tlogG= -0.023898 logG= -0.029655 Density= 0.213960 ETOT(band)= -0.234053 trlgG= -0.294808 logG= -0.029655 TDE= -0.170860 Density= 0.324254 ETOT(band)= -0.348965 trlgG= -0.440237 logG= -0.058542 TDE= -0.342214 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005995 tlogG= -0.022991 logG= -0.028985 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216391 ETOT(band)= -0.232135 trlgG= -0.292351 logG= -0.028985 TDE= -0.170967 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006169 tlogG= -0.023982 logG= -0.030151 logGD-logG0= -0.005615 tlogG= -0.023266 logG= -0.028881 Density= 0.213662 ETOT(band)= -0.233662 trlgG= -0.294036 logG= -0.028881 TDE= -0.170811 Density= 0.323940 ETOT(band)= -0.350730 trlgG= -0.444764 logG= -0.030151 TDE= -0.171550 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006184 tlogG= -0.023923 logG= -0.030107 Density= 0.215831 ETOT(band)= -0.233807 trlgG= -0.296325 logG= -0.030107 TDE= -0.171502 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011334 tlogG= -0.046645 logG= -0.057979 Density= 0.322952 ETOT(band)= -0.349090 trlgG= -0.439075 logG= -0.057979 TDE= -0.341741 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005669 tlogG= -0.023858 logG= -0.029527 logGD-logG0= -0.005847 tlogG= -0.024177 logG= -0.030025 Density= 0.214922 ETOT(band)= -0.234212 trlgG= -0.296315 logG= -0.030025 TDE= -0.171302 logGD-logG0= -0.010647 tlogG= -0.048132 logG= -0.058779 Density= 0.425864 ETOT(band)= -0.468431 trlgG= -0.590097 logG= -0.058779 TDE= -0.341911 logGD-logG0= -0.011304 tlogG= -0.047882 logG= -0.059186 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428384 ETOT(band)= -0.468244 trlgG= -0.591444 logG= -0.059186 TDE= -0.342399 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213744 ETOT(band)= -0.234191 trlgG= -0.295549 logG= -0.029527 TDE= -0.171116 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006234 tlogG= -0.023709 logG= -0.029943 Density= 0.215589 ETOT(band)= -0.233658 trlgG= -0.295632 logG= -0.029943 TDE= -0.171324 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005571 tlogG= -0.024028 logG= -0.029599 Density= 0.214294 ETOT(band)= -0.234130 trlgG= -0.295928 logG= -0.029599 TDE= -0.171297 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011124 tlogG= -0.046748 logG= -0.057872 Density= 0.428212 ETOT(band)= -0.466230 trlgG= -0.585452 logG= -0.057872 TDE= -0.341353 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011803 tlogG= -0.048189 logG= -0.059992 Density= 0.429661 ETOT(band)= -0.468356 trlgG= -0.592193 logG= -0.059992 TDE= -0.342445 logGD-logG0= -0.011921 tlogG= -0.047708 logG= -0.059629 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428643 ETOT(band)= -0.468226 trlgG= -0.590770 logG= -0.059629 TDE= -0.342040 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011161 tlogG= -0.046649 logG= -0.057810 Density= 0.428426 ETOT(band)= -0.466947 trlgG= -0.588054 logG= -0.057810 TDE= -0.341768 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005727 tlogG= -0.021322 logG= -0.027049 Density= 0.162772 ETOT(band)= -0.173030 trlgG= -0.217243 logG= -0.027049 TDE= -0.169945 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011931 tlogG= -0.048261 logG= -0.060192 Density= 0.430402 ETOT(band)= -0.468362 trlgG= -0.592952 logG= -0.060192 TDE= -0.342665 logGD-logG0= -0.011971 tlogG= -0.047997 logG= -0.059968 Density= 0.429563 ETOT(band)= -0.468317 trlgG= -0.591844 logG= -0.059968 TDE= -0.342289 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011285 tlogG= -0.047802 logG= -0.059086 logGD-logG0= -0.011589 tlogG= -0.046441 logG= -0.058030 Density= 0.429857 ETOT(band)= -0.465659 trlgG= -0.585093 logG= -0.058030 TDE= -0.341462 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011332 tlogG= -0.047682 logG= -0.059014 Density= 0.427012 ETOT(band)= -0.468455 trlgG= -0.590601 logG= -0.059014 TDE= -0.341932 logGD-logG0= -0.012396 tlogG= -0.047742 logG= -0.060138 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427514 ETOT(band)= -0.468007 trlgG= -0.589442 logG= -0.059086 TDE= -0.341633 Density= 0.431459 ETOT(band)= -0.467563 trlgG= -0.592251 logG= -0.060138 TDE= -0.342912 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012140 tlogG= -0.048109 logG= -0.060249 Density= 0.430507 ETOT(band)= -0.468192 trlgG= -0.592623 logG= -0.060249 TDE= -0.342790 logGD-logG0= -0.012308 tlogG= -0.047766 logG= -0.060074 Density= 0.431114 ETOT(band)= -0.467618 trlgG= -0.591899 logG= -0.060074 TDE= -0.342806 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011660 tlogG= -0.047601 logG= -0.059261 Density= 0.428951 ETOT(band)= -0.467574 trlgG= -0.589804 logG= -0.059261 TDE= -0.342084 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011474 tlogG= -0.047894 logG= -0.059368 Density= 0.429489 ETOT(band)= -0.468021 trlgG= -0.591394 logG= -0.059368 TDE= -0.342384 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012317 tlogG= -0.048068 logG= -0.060385 Density= 0.431703 ETOT(band)= -0.467846 trlgG= -0.593239 logG= -0.060385 TDE= -0.343177 logGD-logG0= -0.011973 tlogG= -0.046969 logG= -0.058943 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430221 ETOT(band)= -0.466570 trlgG= -0.587790 logG= -0.058943 TDE= -0.341757 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001967 tlogG= -0.007124 logG= -0.009091 Density= 0.072280 ETOT(band)= -0.076500 trlgG= -0.095434 logG= -0.009091 TDE= -0.056645 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005662 tlogG= -0.022347 logG= -0.028010 Density= 0.323111 ETOT(band)= -0.348062 trlgG= -0.436696 logG= -0.028010 TDE= -0.170314 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012370 tlogG= -0.047305 logG= -0.059675 Density= 0.430837 ETOT(band)= -0.467194 trlgG= -0.590433 logG= -0.059675 TDE= -0.342422 logGD-logG0= -0.011896 tlogG= -0.047609 logG= -0.059505 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430360 ETOT(band)= -0.467214 trlgG= -0.589719 logG= -0.059505 TDE= -0.342202 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005777 tlogG= -0.022313 logG= -0.028090 Density= 0.214417 ETOT(band)= -0.232494 trlgG= -0.291248 logG= -0.028090 TDE= -0.170233 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005748 tlogG= -0.022491 logG= -0.028240 Density= 0.215178 ETOT(band)= -0.231720 trlgG= -0.289840 logG= -0.028240 TDE= -0.170247 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023759 logG= -0.029035 Density= 0.213246 ETOT(band)= -0.233634 trlgG= -0.293581 logG= -0.029035 TDE= -0.170846 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011604 tlogG= -0.044660 logG= -0.056264 Density= 0.324523 ETOT(band)= -0.346759 trlgG= -0.434618 logG= -0.056264 TDE= -0.340909 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011473 tlogG= -0.044665 logG= -0.056138 Density= 0.431920 ETOT(band)= -0.462196 trlgG= -0.578316 logG= -0.056138 TDE= -0.340547 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005768 tlogG= -0.021227 logG= -0.026995 Density= 0.216499 ETOT(band)= -0.230100 trlgG= -0.287319 logG= -0.026995 TDE= -0.169865 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.887716592430 eV TrLogG= -409.876756006915 eV Ratio to renormalize= 0.999230893807 rho-rho_expected= 0.016933359789 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 74) Finished k-point number 150 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964752722380308 0.940588861005816 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001769 tlogG= -0.007815 logG= -0.009584 Density= 0.035517 ETOT(band)= -0.038927 trlgG= -0.048901 logG= -0.009584 TDE= -0.056892 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.024064 logG= -0.029239 Density= 0.106194 ETOT(band)= -0.117167 trlgG= -0.147673 logG= -0.029239 TDE= -0.170984 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023987 logG= -0.029188 Density= 0.106246 ETOT(band)= -0.117123 trlgG= -0.147559 logG= -0.029188 TDE= -0.170947 logGD-logG0= -0.005467 tlogG= -0.023218 logG= -0.028684 Density= 0.106811 ETOT(band)= -0.116627 trlgG= -0.146344 logG= -0.028684 TDE= -0.170515 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001969 tlogG= -0.007309 logG= -0.009277 Density= 0.035868 ETOT(band)= -0.038579 trlgG= -0.048200 logG= -0.009277 TDE= -0.056671 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001899 tlogG= -0.006996 logG= -0.008895 Density= 0.036219 ETOT(band)= -0.038132 trlgG= -0.047535 logG= -0.008895 TDE= -0.056563 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005731 tlogG= -0.021578 logG= -0.027309 Density= 0.108585 ETOT(band)= -0.114891 trlgG= -0.143689 logG= -0.027309 TDE= -0.170113 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005902 tlogG= -0.021832 logG= -0.027733 Density= 0.107860 ETOT(band)= -0.115545 trlgG= -0.144435 logG= -0.027733 TDE= -0.170077 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002745 tlogG= -0.011891 logG= -0.014635 Density= 0.053601 ETOT(band)= -0.058403 trlgG= -0.073700 logG= -0.014635 TDE= -0.085589 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002840 tlogG= -0.012089 logG= -0.014929 Density= 0.053625 ETOT(band)= -0.058547 trlgG= -0.074061 logG= -0.014929 TDE= -0.085669 logGD-logG0= -0.003020 tlogG= -0.012039 logG= -0.015058 Density= 0.053805 ETOT(band)= -0.058536 trlgG= -0.074116 logG= -0.015058 TDE= -0.085683 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 Density= 0.004546 ETOT(band)= -0.004734 trlgG= -0.005888 logG= -0.001083 TDE= -0.007054 logGD-logG0= -0.002749 tlogG= -0.011455 logG= -0.014204 Density= 0.053774 ETOT(band)= -0.058074 trlgG= -0.072934 logG= -0.014204 TDE= -0.085340 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.008049 logG= -0.009739 Density= 0.035339 ETOT(band)= -0.039077 trlgG= -0.049268 logG= -0.009739 TDE= -0.057016 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005959 tlogG= -0.023966 logG= -0.029925 Density= 0.108314 ETOT(band)= -0.116625 trlgG= -0.147951 logG= -0.029925 TDE= -0.171625 logGD-logG0= -0.005855 tlogG= -0.022472 logG= -0.028327 logGD-logG0= -0.002969 tlogG= -0.011992 logG= -0.014961 logGD-logG0= -0.005973 tlogG= -0.023780 logG= -0.029752 Density= 0.108277 ETOT(band)= -0.115746 trlgG= -0.145417 logG= -0.028327 TDE= -0.170670 Density= 0.054180 ETOT(band)= -0.058300 trlgG= -0.073973 logG= -0.014961 TDE= -0.085823 Density= 0.108262 ETOT(band)= -0.116549 trlgG= -0.147674 logG= -0.029752 TDE= -0.171495 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005968 tlogG= -0.023446 logG= -0.029414 logGD-logG0= -0.006112 tlogG= -0.024084 logG= -0.030196 logGD-logG0= -0.005692 tlogG= -0.022863 logG= -0.028555 Density= 0.107822 ETOT(band)= -0.116100 trlgG= -0.145788 logG= -0.028555 TDE= -0.170588 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108212 ETOT(band)= -0.116387 trlgG= -0.147139 logG= -0.029414 TDE= -0.171274 Density= 0.107728 ETOT(band)= -0.117073 trlgG= -0.148375 logG= -0.030196 TDE= -0.171489 logGD-logG0= -0.005925 tlogG= -0.022998 logG= -0.028923 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108212 ETOT(band)= -0.116118 trlgG= -0.146365 logG= -0.028923 TDE= -0.170991 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003040 tlogG= -0.011996 logG= -0.015036 Density= 0.054026 ETOT(band)= -0.058420 trlgG= -0.074096 logG= -0.015036 TDE= -0.085795 logGD-logG0= -0.005771 tlogG= -0.022184 logG= -0.027955 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108431 ETOT(band)= -0.115441 trlgG= -0.144807 logG= -0.027955 TDE= -0.170509 logGD-logG0= -0.005395 tlogG= -0.024058 logG= -0.029452 logGD-logG0= -0.005850 tlogG= -0.022749 logG= -0.028599 Density= 0.108324 ETOT(band)= -0.115882 trlgG= -0.145851 logG= -0.028599 TDE= -0.170857 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106467 ETOT(band)= -0.117155 trlgG= -0.147675 logG= -0.029452 TDE= -0.170908 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006114 tlogG= -0.024104 logG= -0.030217 Density= 0.107973 ETOT(band)= -0.116982 trlgG= -0.148435 logG= -0.030217 TDE= -0.171648 logGD-logG0= -0.006125 tlogG= -0.023697 logG= -0.029822 Density= 0.107314 ETOT(band)= -0.117006 trlgG= -0.147714 logG= -0.029822 TDE= -0.170997 logGD-logG0= -0.005666 tlogG= -0.023702 logG= -0.029367 Density= 0.107458 ETOT(band)= -0.116728 trlgG= -0.147260 logG= -0.029367 TDE= -0.171069 logGD-logG0= -0.005917 tlogG= -0.023231 logG= -0.029148 logGD-logG0= -0.005949 tlogG= -0.023621 logG= -0.029570 Density= 0.108286 ETOT(band)= -0.116434 trlgG= -0.147383 logG= -0.029570 TDE= -0.171398 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005830 tlogG= -0.024106 logG= -0.029936 Density= 0.108273 ETOT(band)= -0.116211 trlgG= -0.146719 logG= -0.029148 TDE= -0.171150 Density= 0.107463 ETOT(band)= -0.117037 trlgG= -0.148000 logG= -0.029936 TDE= -0.171243 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005946 tlogG= -0.023887 logG= -0.029833 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108334 ETOT(band)= -0.116560 trlgG= -0.147802 logG= -0.029833 TDE= -0.171578 logGD-logG0= -0.005552 tlogG= -0.023002 logG= -0.028554 Density= 0.106946 ETOT(band)= -0.116496 trlgG= -0.146081 logG= -0.028554 TDE= -0.170449 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005942 tlogG= -0.022888 logG= -0.028829 Density= 0.107692 ETOT(band)= -0.116304 trlgG= -0.146201 logG= -0.028829 TDE= -0.170663 logGD-logG0= -0.006147 tlogG= -0.024150 logG= -0.030297 logGD-logG0= -0.006065 tlogG= -0.023980 logG= -0.030045 logGD-logG0= -0.005721 tlogG= -0.024083 logG= -0.029804 Density= 0.107138 ETOT(band)= -0.117098 trlgG= -0.148033 logG= -0.029804 TDE= -0.171246 Density= 0.107529 ETOT(band)= -0.117059 trlgG= -0.148106 logG= -0.030045 TDE= -0.171271 Density= 0.107897 ETOT(band)= -0.117070 trlgG= -0.148561 logG= -0.030297 TDE= -0.171657 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005842 tlogG= -0.023653 logG= -0.029495 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006144 tlogG= -0.023914 logG= -0.030058 logGD-logG0= -0.005578 tlogG= -0.023512 logG= -0.029090 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107058 ETOT(band)= -0.116934 trlgG= -0.147167 logG= -0.029495 TDE= -0.170650 Density= 0.107836 ETOT(band)= -0.116940 trlgG= -0.148159 logG= -0.030058 TDE= -0.171464 logGD-logG0= -0.005751 tlogG= -0.023903 logG= -0.029654 Density= 0.106838 ETOT(band)= -0.117116 trlgG= -0.147783 logG= -0.029654 TDE= -0.170997 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005842 tlogG= -0.022422 logG= -0.028264 Density= 0.107708 ETOT(band)= -0.115972 trlgG= -0.145306 logG= -0.028264 TDE= -0.170342 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106850 ETOT(band)= -0.116816 trlgG= -0.146825 logG= -0.029090 TDE= -0.170610 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005527 tlogG= -0.023680 logG= -0.029207 Density= 0.106675 ETOT(band)= -0.116962 trlgG= -0.147259 logG= -0.029207 TDE= -0.170840 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005549 tlogG= -0.023701 logG= -0.029250 Density= 0.107054 ETOT(band)= -0.116846 trlgG= -0.147359 logG= -0.029250 TDE= -0.171085 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006100 tlogG= -0.023887 logG= -0.029987 Density= 0.108001 ETOT(band)= -0.116809 trlgG= -0.148050 logG= -0.029987 TDE= -0.171507 logGD-logG0= -0.011460 tlogG= -0.048272 logG= -0.059733 logGD-logG0= -0.011136 tlogG= -0.045788 logG= -0.056924 Density= 0.215166 ETOT(band)= -0.232323 trlgG= -0.291740 logG= -0.056924 TDE= -0.341290 Density= 0.214567 ETOT(band)= -0.234155 trlgG= -0.296135 logG= -0.059733 TDE= -0.342581 logGD-logG0= -0.011423 tlogG= -0.045619 logG= -0.057042 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214512 ETOT(band)= -0.232671 trlgG= -0.291926 logG= -0.057042 TDE= -0.341035 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005576 tlogG= -0.022866 logG= -0.028442 Density= 0.107371 ETOT(band)= -0.116244 trlgG= -0.145923 logG= -0.028442 TDE= -0.170613 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006139 tlogG= -0.023596 logG= -0.029735 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107883 ETOT(band)= -0.116713 trlgG= -0.147638 logG= -0.029735 TDE= -0.171288 logGD-logG0= -0.011517 tlogG= -0.045677 logG= -0.057193 logGD-logG0= -0.011332 tlogG= -0.047188 logG= -0.058521 Density= 0.215300 ETOT(band)= -0.232398 trlgG= -0.291725 logG= -0.057193 TDE= -0.341073 logGD-logG0= -0.011611 tlogG= -0.047929 logG= -0.059540 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213924 ETOT(band)= -0.233749 trlgG= -0.294571 logG= -0.058521 TDE= -0.341910 Density= 0.214133 ETOT(band)= -0.234192 trlgG= -0.295830 logG= -0.059540 TDE= -0.342254 logGD-logG0= -0.006088 tlogG= -0.024075 logG= -0.030163 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011233 tlogG= -0.047953 logG= -0.059187 Density= 0.213434 ETOT(band)= -0.234254 trlgG= -0.295293 logG= -0.059187 TDE= -0.341724 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108033 ETOT(band)= -0.116916 trlgG= -0.148345 logG= -0.030163 TDE= -0.171643 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002814 tlogG= -0.010433 logG= -0.013247 Density= 0.054413 ETOT(band)= -0.057080 trlgG= -0.071124 logG= -0.013247 TDE= -0.084803 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006134 tlogG= -0.023208 logG= -0.029342 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107763 ETOT(band)= -0.116551 trlgG= -0.147010 logG= -0.029342 TDE= -0.170994 logGD-logG0= -0.011499 tlogG= -0.047177 logG= -0.058676 Density= 0.213936 ETOT(band)= -0.233793 trlgG= -0.294361 logG= -0.058676 TDE= -0.341551 logGD-logG0= -0.012178 tlogG= -0.047774 logG= -0.059952 Density= 0.214926 ETOT(band)= -0.234080 trlgG= -0.295967 logG= -0.059952 TDE= -0.342370 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010806 tlogG= -0.047656 logG= -0.058462 logGD-logG0= -0.012129 tlogG= -0.048108 logG= -0.060238 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213081 ETOT(band)= -0.234047 trlgG= -0.294653 logG= -0.058462 TDE= -0.341634 logGD-logG0= -0.005150 tlogG= -0.024144 logG= -0.029294 Density= 0.215242 ETOT(band)= -0.234135 trlgG= -0.296472 logG= -0.060238 TDE= -0.342747 Density= 0.212327 ETOT(band)= -0.234383 trlgG= -0.295470 logG= -0.029294 TDE= -0.171023 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012079 tlogG= -0.047332 logG= -0.059412 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011832 tlogG= -0.046439 logG= -0.058270 Density= 0.215373 ETOT(band)= -0.232958 trlgG= -0.293358 logG= -0.058270 TDE= -0.341666 logGD-logG0= -0.011978 tlogG= -0.048006 logG= -0.059984 Density= 0.214427 ETOT(band)= -0.233973 trlgG= -0.295055 logG= -0.059412 TDE= -0.341752 Density= 0.215243 ETOT(band)= -0.233990 trlgG= -0.296056 logG= -0.059984 TDE= -0.342585 logGD-logG0= -0.012044 tlogG= -0.047814 logG= -0.059858 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012318 tlogG= -0.048172 logG= -0.060490 Density= 0.214824 ETOT(band)= -0.234073 trlgG= -0.295799 logG= -0.059858 TDE= -0.342247 Density= 0.215596 ETOT(band)= -0.234153 trlgG= -0.296929 logG= -0.060490 TDE= -0.343127 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002878 tlogG= -0.010848 logG= -0.013726 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054099 ETOT(band)= -0.057596 trlgG= -0.071974 logG= -0.013726 TDE= -0.085019 logGD-logG0= -0.012272 tlogG= -0.046904 logG= -0.059176 logGD-logG0= -0.012252 tlogG= -0.047562 logG= -0.059814 Density= 0.215871 ETOT(band)= -0.233585 trlgG= -0.295834 logG= -0.059814 TDE= -0.342844 logGD-logG0= -0.012210 tlogG= -0.048042 logG= -0.060252 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215595 ETOT(band)= -0.233348 trlgG= -0.294799 logG= -0.059176 TDE= -0.342310 Density= 0.215279 ETOT(band)= -0.234126 trlgG= -0.296498 logG= -0.060252 TDE= -0.342777 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011728 tlogG= -0.048057 logG= -0.059785 Density= 0.214699 ETOT(band)= -0.234102 trlgG= -0.295881 logG= -0.059785 TDE= -0.342339 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011854 tlogG= -0.047686 logG= -0.059540 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023753 logG= -0.029031 Density= 0.213238 ETOT(band)= -0.233600 trlgG= -0.293534 logG= -0.029031 TDE= -0.170825 logGD-logG0= -0.012175 tlogG= -0.047975 logG= -0.060150 Density= 0.216069 ETOT(band)= -0.233703 trlgG= -0.296392 logG= -0.060150 TDE= -0.343165 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214114 ETOT(band)= -0.234179 trlgG= -0.295582 logG= -0.059540 TDE= -0.341996 logGD-logG0= -0.011099 tlogG= -0.047476 logG= -0.058575 logGD-logG0= -0.005332 tlogG= -0.023599 logG= -0.028931 Density= 0.212772 ETOT(band)= -0.234005 trlgG= -0.294516 logG= -0.028931 TDE= -0.170740 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214469 ETOT(band)= -0.233582 trlgG= -0.294694 logG= -0.058575 TDE= -0.342249 logGD-logG0= -0.011452 tlogG= -0.047252 logG= -0.058704 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214636 ETOT(band)= -0.233543 trlgG= -0.294463 logG= -0.058704 TDE= -0.341971 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012231 tlogG= -0.047924 logG= -0.060154 Density= 0.215940 ETOT(band)= -0.233774 trlgG= -0.296396 logG= -0.060154 TDE= -0.343100 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012230 tlogG= -0.047447 logG= -0.059676 Density= 0.215636 ETOT(band)= -0.233624 trlgG= -0.295598 logG= -0.059676 TDE= -0.342629 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011746 tlogG= -0.047179 logG= -0.058925 Density= 0.215313 ETOT(band)= -0.233358 trlgG= -0.294378 logG= -0.058925 TDE= -0.342000 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001851 tlogG= -0.007592 logG= -0.009444 Density= 0.071546 ETOT(band)= -0.077355 trlgG= -0.096741 logG= -0.009444 TDE= -0.056753 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001716 tlogG= -0.007970 logG= -0.009686 Density= 0.070917 ETOT(band)= -0.077954 trlgG= -0.098046 logG= -0.009686 TDE= -0.056977 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005820 tlogG= -0.021889 logG= -0.027709 Density= 0.108397 ETOT(band)= -0.115256 trlgG= -0.144371 logG= -0.027709 TDE= -0.170302 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005647 tlogG= -0.021003 logG= -0.026650 Density= 0.108780 ETOT(band)= -0.114306 trlgG= -0.142529 logG= -0.026650 TDE= -0.169709 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001968 tlogG= -0.007122 logG= -0.009090 Density= 0.072277 ETOT(band)= -0.076490 trlgG= -0.095420 logG= -0.009090 TDE= -0.056638 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005750 tlogG= -0.022486 logG= -0.028236 Density= 0.215168 ETOT(band)= -0.231688 trlgG= -0.289795 logG= -0.028236 TDE= -0.170226 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011676 tlogG= -0.043416 logG= -0.055092 Density= 0.216421 ETOT(band)= -0.230496 trlgG= -0.288222 logG= -0.055092 TDE= -0.340226 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005841 tlogG= -0.021708 logG= -0.027549 Density= 0.108003 ETOT(band)= -0.115354 trlgG= -0.144124 logG= -0.027549 TDE= -0.170020 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005908 tlogG= -0.021894 logG= -0.027802 Density= 0.216772 ETOT(band)= -0.230314 trlgG= -0.288225 logG= -0.027802 TDE= -0.170271 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001462 tlogG= -0.005752 logG= -0.007213 Density= 0.080695 ETOT(band)= -0.087403 trlgG= -0.110264 logG= -0.007213 TDE= -0.042758 logGD-logG0= -0.001441 tlogG= -0.005623 logG= -0.007064 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080893 ETOT(band)= -0.086977 trlgG= -0.109259 logG= -0.007064 TDE= -0.042681 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001481 tlogG= -0.005943 logG= -0.007424 Density= 0.080896 ETOT(band)= -0.087654 trlgG= -0.111012 logG= -0.007424 TDE= -0.042877 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001477 tlogG= -0.005859 logG= -0.007336 Density= 0.080710 ETOT(band)= -0.087618 trlgG= -0.110818 logG= -0.007336 TDE= -0.042823 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001480 tlogG= -0.005988 logG= -0.007468 Density= 0.081125 ETOT(band)= -0.087558 trlgG= -0.111061 logG= -0.007468 TDE= -0.042908 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006043 tlogG= -0.024018 logG= -0.030061 Density= 0.215859 ETOT(band)= -0.233874 trlgG= -0.296552 logG= -0.030061 TDE= -0.171624 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005574 tlogG= -0.024021 logG= -0.029595 Density= 0.214284 ETOT(band)= -0.234097 trlgG= -0.295882 logG= -0.029595 TDE= -0.171276 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005912 tlogG= -0.023971 logG= -0.029883 logGD-logG0= -0.006006 tlogG= -0.024016 logG= -0.030022 logGD-logG0= -0.005758 tlogG= -0.023893 logG= -0.029651 Density= 0.213950 ETOT(band)= -0.234020 trlgG= -0.294762 logG= -0.029651 TDE= -0.170839 logGD-logG0= -0.006078 tlogG= -0.023816 logG= -0.029894 Density= 0.215503 ETOT(band)= -0.233778 trlgG= -0.295902 logG= -0.029894 TDE= -0.171471 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214507 ETOT(band)= -0.234106 trlgG= -0.295661 logG= -0.029883 TDE= -0.171109 Density= 0.216528 ETOT(band)= -0.233360 trlgG= -0.296065 logG= -0.030022 TDE= -0.171641 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005672 tlogG= -0.023851 logG= -0.029523 Density= 0.213735 ETOT(band)= -0.234158 trlgG= -0.295502 logG= -0.029523 TDE= -0.171094 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005998 tlogG= -0.022983 logG= -0.028982 Density= 0.216379 ETOT(band)= -0.232105 trlgG= -0.292308 logG= -0.028982 TDE= -0.170946 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006027 tlogG= -0.023431 logG= -0.029458 Density= 0.216360 ETOT(band)= -0.232678 trlgG= -0.293925 logG= -0.029458 TDE= -0.171234 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005937 tlogG= -0.022453 logG= -0.028390 logGD-logG0= -0.005422 tlogG= -0.023984 logG= -0.029407 Density= 0.212967 ETOT(band)= -0.234280 trlgG= -0.295257 logG= -0.029407 TDE= -0.170876 logGD-logG0= -0.006078 tlogG= -0.023495 logG= -0.029572 Density= 0.216517 ETOT(band)= -0.231310 trlgG= -0.290322 logG= -0.028390 TDE= -0.170612 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215377 ETOT(band)= -0.233344 trlgG= -0.294643 logG= -0.029572 TDE= -0.171214 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005618 tlogG= -0.023259 logG= -0.028877 Density= 0.213653 ETOT(band)= -0.233628 trlgG= -0.293989 logG= -0.028877 TDE= -0.170790 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006003 tlogG= -0.023206 logG= -0.029208 Density= 0.215024 ETOT(band)= -0.232971 trlgG= -0.292961 logG= -0.029208 TDE= -0.170665 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005904 tlogG= -0.023858 logG= -0.029762 Density= 0.215666 ETOT(band)= -0.233775 trlgG= -0.296005 logG= -0.029762 TDE= -0.171160 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005606 tlogG= -0.024020 logG= -0.029626 Density= 0.321813 ETOT(band)= -0.351126 trlgG= -0.443961 logG= -0.029626 TDE= -0.171271 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005484 tlogG= -0.023385 logG= -0.028869 logGD-logG0= -0.006138 tlogG= -0.024139 logG= -0.030277 Density= 0.214338 ETOT(band)= -0.233388 trlgG= -0.294091 logG= -0.028869 TDE= -0.170954 Density= 0.215892 ETOT(band)= -0.234029 trlgG= -0.296965 logG= -0.030277 TDE= -0.171657 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011820 tlogG= -0.045654 logG= -0.057474 logGD-logG0= -0.012043 tlogG= -0.047819 logG= -0.059861 Density= 0.324607 ETOT(band)= -0.349944 trlgG= -0.443599 logG= -0.059861 TDE= -0.343122 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324271 ETOT(band)= -0.347979 trlgG= -0.437553 logG= -0.057474 TDE= -0.341547 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011339 tlogG= -0.046632 logG= -0.057971 Density= 0.322936 ETOT(band)= -0.349042 trlgG= -0.439009 logG= -0.057971 TDE= -0.341699 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006076 tlogG= -0.024097 logG= -0.030173 Density= 0.323320 ETOT(band)= -0.351216 trlgG= -0.445265 logG= -0.030173 TDE= -0.171471 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005850 tlogG= -0.024171 logG= -0.030021 logGD-logG0= -0.012091 tlogG= -0.047268 logG= -0.059359 Density= 0.214911 ETOT(band)= -0.234180 trlgG= -0.296270 logG= -0.030021 TDE= -0.171281 Density= 0.324382 ETOT(band)= -0.349575 trlgG= -0.442257 logG= -0.059359 TDE= -0.342730 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012338 tlogG= -0.048070 logG= -0.060408 logGD-logG0= -0.001431 tlogG= -0.005472 logG= -0.006903 Density= 0.081254 ETOT(band)= -0.086365 trlgG= -0.108022 logG= -0.006903 TDE= -0.042583 Density= 0.323505 ETOT(band)= -0.351009 trlgG= -0.444960 logG= -0.060408 TDE= -0.343117 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001391 tlogG= -0.005175 logG= -0.006566 logGD-logG0= -0.006020 tlogG= -0.023778 logG= -0.029798 Density= 0.216447 ETOT(band)= -0.233057 trlgG= -0.295130 logG= -0.029798 TDE= -0.171473 logGD-logG0= -0.012089 tlogG= -0.046446 logG= -0.058535 Density= 0.324235 ETOT(band)= -0.348920 trlgG= -0.440173 logG= -0.058535 TDE= -0.342172 logGD-logG0= -0.005999 tlogG= -0.023973 logG= -0.029972 logGD-logG0= -0.005854 tlogG= -0.023257 logG= -0.029111 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321947 ETOT(band)= -0.350586 trlgG= -0.442233 logG= -0.029111 TDE= -0.170900 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216561 ETOT(band)= -0.233256 trlgG= -0.295832 logG= -0.029972 TDE= -0.171614 logGD-logG0= -0.005446 tlogG= -0.023902 logG= -0.029348 Density= 0.213438 ETOT(band)= -0.233873 trlgG= -0.294255 logG= -0.029348 TDE= -0.170827 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062583 ETOT(band)= -0.067551 trlgG= -0.084722 logG= -0.006566 TDE= -0.042370 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005875 tlogG= -0.024176 logG= -0.030051 Density= 0.322697 ETOT(band)= -0.351241 trlgG= -0.444625 logG= -0.030051 TDE= -0.171276 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006189 tlogG= -0.023915 logG= -0.030104 Density= 0.215818 ETOT(band)= -0.233776 trlgG= -0.296281 logG= -0.030104 TDE= -0.171480 logGD-logG0= -0.006267 tlogG= -0.023367 logG= -0.029633 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215270 ETOT(band)= -0.233369 trlgG= -0.294453 logG= -0.029633 TDE= -0.171009 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006173 tlogG= -0.023974 logG= -0.030147 logGD-logG0= -0.011309 tlogG= -0.047868 logG= -0.059177 Density= 0.428364 ETOT(band)= -0.468178 trlgG= -0.591352 logG= -0.059177 TDE= -0.342357 logGD-logG0= -0.011127 tlogG= -0.046737 logG= -0.057864 Density= 0.323920 ETOT(band)= -0.350685 trlgG= -0.444698 logG= -0.030147 TDE= -0.171529 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428194 ETOT(band)= -0.466163 trlgG= -0.585360 logG= -0.057864 TDE= -0.341311 logGD-logG0= -0.005801 tlogG= -0.022917 logG= -0.028718 logGD-logG0= -0.005514 tlogG= -0.023381 logG= -0.028895 Density= 0.214946 ETOT(band)= -0.232420 trlgG= -0.291433 logG= -0.028718 TDE= -0.170477 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321870 ETOT(band)= -0.350083 trlgG= -0.441387 logG= -0.028895 TDE= -0.170945 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006239 tlogG= -0.023701 logG= -0.029939 Density= 0.215577 ETOT(band)= -0.233627 trlgG= -0.295588 logG= -0.029939 TDE= -0.171303 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011926 tlogG= -0.047695 logG= -0.059620 Density= 0.428621 ETOT(band)= -0.468161 trlgG= -0.590679 logG= -0.059620 TDE= -0.341998 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011807 tlogG= -0.048176 logG= -0.059984 Density= 0.429638 ETOT(band)= -0.468292 trlgG= -0.592103 logG= -0.059984 TDE= -0.342403 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011594 tlogG= -0.046428 logG= -0.058022 Density= 0.429836 ETOT(band)= -0.465595 trlgG= -0.585004 logG= -0.058022 TDE= -0.341421 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011936 tlogG= -0.048248 logG= -0.060184 Density= 0.430378 ETOT(band)= -0.468299 trlgG= -0.592861 logG= -0.060184 TDE= -0.342621 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011333 tlogG= -0.047672 logG= -0.059005 Density= 0.426993 ETOT(band)= -0.468388 trlgG= -0.590507 logG= -0.059005 TDE= -0.341889 logGD-logG0= -0.012144 tlogG= -0.048097 logG= -0.060241 logGD-logG0= -0.011167 tlogG= -0.046636 logG= -0.057802 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430483 ETOT(band)= -0.468129 trlgG= -0.592532 logG= -0.060241 TDE= -0.342747 logGD-logG0= -0.012404 tlogG= -0.047726 logG= -0.060131 Density= 0.428407 ETOT(band)= -0.466881 trlgG= -0.587962 logG= -0.057802 TDE= -0.341726 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431434 ETOT(band)= -0.467501 trlgG= -0.592163 logG= -0.060131 TDE= -0.342869 logGD-logG0= -0.005730 tlogG= -0.021315 logG= -0.027046 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162763 ETOT(band)= -0.173008 trlgG= -0.217212 logG= -0.027046 TDE= -0.169925 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011286 tlogG= -0.047792 logG= -0.059078 Density= 0.427495 ETOT(band)= -0.467940 trlgG= -0.589349 logG= -0.059078 TDE= -0.341591 logGD-logG0= -0.011976 tlogG= -0.047984 logG= -0.059960 logGD-logG0= -0.011977 tlogG= -0.046957 logG= -0.058935 Density= 0.430199 ETOT(band)= -0.466506 trlgG= -0.587700 logG= -0.058935 TDE= -0.341714 Density= 0.429540 ETOT(band)= -0.468253 trlgG= -0.591752 logG= -0.059960 TDE= -0.342245 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011665 tlogG= -0.047587 logG= -0.059252 logGD-logG0= -0.011479 tlogG= -0.047881 logG= -0.059360 Density= 0.428930 ETOT(band)= -0.467509 trlgG= -0.589714 logG= -0.059252 TDE= -0.342042 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429467 ETOT(band)= -0.467957 trlgG= -0.591305 logG= -0.059360 TDE= -0.342342 logGD-logG0= -0.012311 tlogG= -0.047754 logG= -0.060066 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431089 ETOT(band)= -0.467556 trlgG= -0.591810 logG= -0.060066 TDE= -0.342763 logGD-logG0= -0.005625 tlogG= -0.022341 logG= -0.027965 Density= 0.215176 ETOT(band)= -0.231975 trlgG= -0.290840 logG= -0.027965 TDE= -0.170299 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001411 tlogG= -0.005311 logG= -0.006721 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081611 ETOT(band)= -0.085700 trlgG= -0.106859 logG= -0.006721 TDE= -0.042472 logGD-logG0= -0.012374 tlogG= -0.047294 logG= -0.059667 logGD-logG0= -0.012325 tlogG= -0.048052 logG= -0.060377 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430813 ETOT(band)= -0.467132 trlgG= -0.590344 logG= -0.059667 TDE= -0.342378 Density= 0.431677 ETOT(band)= -0.467785 trlgG= -0.593150 logG= -0.060377 TDE= -0.343134 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011901 tlogG= -0.047596 logG= -0.059497 Density= 0.430337 ETOT(band)= -0.467151 trlgG= -0.589629 logG= -0.059497 TDE= -0.342159 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005665 tlogG= -0.022341 logG= -0.028006 Density= 0.323095 ETOT(band)= -0.348015 trlgG= -0.436630 logG= -0.028006 TDE= -0.170293 logGD-logG0= -0.010650 tlogG= -0.048120 logG= -0.058770 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.425847 ETOT(band)= -0.468361 trlgG= -0.590003 logG= -0.058770 TDE= -0.341868 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011609 tlogG= -0.044648 logG= -0.056257 Density= 0.324506 ETOT(band)= -0.346713 trlgG= -0.434554 logG= -0.056257 TDE= -0.340868 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001855 tlogG= -0.006879 logG= -0.008733 Density= 0.040874 ETOT(band)= -0.042680 trlgG= -0.053121 logG= -0.008733 TDE= -0.056477 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005780 tlogG= -0.022306 logG= -0.028086 Density= 0.214408 ETOT(band)= -0.232461 trlgG= -0.291202 logG= -0.028086 TDE= -0.170212 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005814 tlogG= -0.021365 logG= -0.027179 Density= 0.217161 ETOT(band)= -0.229211 trlgG= -0.286014 logG= -0.027179 TDE= -0.169939 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011479 tlogG= -0.044652 logG= -0.056131 Density= 0.431899 ETOT(band)= -0.462134 trlgG= -0.578230 logG= -0.056131 TDE= -0.340506 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005771 tlogG= -0.021220 logG= -0.026992 Density= 0.216488 ETOT(band)= -0.230069 trlgG= -0.287277 logG= -0.026992 TDE= -0.169845 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.843489377317 eV TrLogG= -409.806930081212 eV Ratio to renormalize= 0.999282405655 rho-rho_expected= 0.015798412437 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 65) Finished k-point number 132 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964770652915913 0.940617257417192 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005849 tlogG= -0.022750 logG= -0.028600 Density= 0.108325 ETOT(band)= -0.115886 trlgG= -0.145856 logG= -0.028600 TDE= -0.170861 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005917 tlogG= -0.023233 logG= -0.029149 Density= 0.108275 ETOT(band)= -0.116214 trlgG= -0.146724 logG= -0.029149 TDE= -0.171155 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005751 tlogG= -0.023904 logG= -0.029655 logGD-logG0= -0.005841 tlogG= -0.023655 logG= -0.029496 Density= 0.107059 ETOT(band)= -0.116938 trlgG= -0.147173 logG= -0.029496 TDE= -0.170655 logGD-logG0= -0.005527 tlogG= -0.023682 logG= -0.029209 Density= 0.106676 ETOT(band)= -0.116966 trlgG= -0.147265 logG= -0.029209 TDE= -0.170845 Density= 0.106839 ETOT(band)= -0.117120 trlgG= -0.147788 logG= -0.029655 TDE= -0.171002 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005548 tlogG= -0.023703 logG= -0.029251 Density= 0.107055 ETOT(band)= -0.116850 trlgG= -0.147364 logG= -0.029251 TDE= -0.171089 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005941 tlogG= -0.022889 logG= -0.028830 Density= 0.107693 ETOT(band)= -0.116307 trlgG= -0.146206 logG= -0.028830 TDE= -0.170668 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006134 tlogG= -0.023210 logG= -0.029343 Density= 0.107764 ETOT(band)= -0.116555 trlgG= -0.147015 logG= -0.029343 TDE= -0.170999 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003019 tlogG= -0.012040 logG= -0.015059 Density= 0.053806 ETOT(band)= -0.058538 trlgG= -0.074119 logG= -0.015059 TDE= -0.085686 logGD-logG0= -0.002839 tlogG= -0.012090 logG= -0.014929 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053626 ETOT(band)= -0.058549 trlgG= -0.074064 logG= -0.014929 TDE= -0.085671 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002969 tlogG= -0.011993 logG= -0.014962 Density= 0.054181 ETOT(band)= -0.058302 trlgG= -0.073975 logG= -0.014962 TDE= -0.085825 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005948 tlogG= -0.023623 logG= -0.029571 Density= 0.108287 ETOT(band)= -0.116437 trlgG= -0.147388 logG= -0.029571 TDE= -0.171403 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011422 tlogG= -0.045622 logG= -0.057044 Density= 0.214514 ETOT(band)= -0.232679 trlgG= -0.291937 logG= -0.057044 TDE= -0.341045 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010805 tlogG= -0.047658 logG= -0.058464 Density= 0.213083 ETOT(band)= -0.234054 trlgG= -0.294663 logG= -0.058464 TDE= -0.341643 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011233 tlogG= -0.047956 logG= -0.059189 Density= 0.213436 ETOT(band)= -0.234262 trlgG= -0.295303 logG= -0.059189 TDE= -0.341733 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011516 tlogG= -0.045680 logG= -0.057195 Density= 0.215302 ETOT(band)= -0.232405 trlgG= -0.291735 logG= -0.057195 TDE= -0.341082 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 Density= 0.004546 ETOT(band)= -0.004734 trlgG= -0.005888 logG= -0.001083 TDE= -0.007055 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002744 tlogG= -0.011891 logG= -0.014636 Density= 0.053601 ETOT(band)= -0.058405 trlgG= -0.073703 logG= -0.014636 TDE= -0.085592 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002749 tlogG= -0.011456 logG= -0.014205 Density= 0.053774 ETOT(band)= -0.058076 trlgG= -0.072937 logG= -0.014205 TDE= -0.085342 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001768 tlogG= -0.007816 logG= -0.009584 Density= 0.035517 ETOT(band)= -0.038928 trlgG= -0.048903 logG= -0.009584 TDE= -0.056894 logGD-logG0= -0.001690 tlogG= -0.008049 logG= -0.009739 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035339 ETOT(band)= -0.039078 trlgG= -0.049270 logG= -0.009739 TDE= -0.057018 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005967 tlogG= -0.023448 logG= -0.029415 Density= 0.108213 ETOT(band)= -0.116391 trlgG= -0.147144 logG= -0.029415 TDE= -0.171279 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005924 tlogG= -0.022999 logG= -0.028924 Density= 0.108214 ETOT(band)= -0.116121 trlgG= -0.146370 logG= -0.028924 TDE= -0.170995 logGD-logG0= -0.005855 tlogG= -0.022474 logG= -0.028328 Density= 0.108278 ETOT(band)= -0.115749 trlgG= -0.145422 logG= -0.028328 TDE= -0.170675 logGD-logG0= -0.005972 tlogG= -0.023781 logG= -0.029753 Density= 0.108263 ETOT(band)= -0.116553 trlgG= -0.147679 logG= -0.029753 TDE= -0.171500 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005958 tlogG= -0.023968 logG= -0.029926 Density= 0.108316 ETOT(band)= -0.116628 trlgG= -0.147956 logG= -0.029926 TDE= -0.171630 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005770 tlogG= -0.022186 logG= -0.027956 logGD-logG0= -0.005201 tlogG= -0.023988 logG= -0.029189 Density= 0.106247 ETOT(band)= -0.117127 trlgG= -0.147564 logG= -0.029189 TDE= -0.170951 Density= 0.108432 ETOT(band)= -0.115445 trlgG= -0.144812 logG= -0.027956 TDE= -0.170514 logGD-logG0= -0.005395 tlogG= -0.024059 logG= -0.029454 logGD-logG0= -0.006112 tlogG= -0.024085 logG= -0.030197 Density= 0.106468 ETOT(band)= -0.117159 trlgG= -0.147681 logG= -0.029454 TDE= -0.170913 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107729 ETOT(band)= -0.117077 trlgG= -0.148381 logG= -0.030197 TDE= -0.171494 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003040 tlogG= -0.011997 logG= -0.015037 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054026 ETOT(band)= -0.058422 trlgG= -0.074099 logG= -0.015037 TDE= -0.085797 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006143 tlogG= -0.023916 logG= -0.030059 Density= 0.107838 ETOT(band)= -0.116944 trlgG= -0.148164 logG= -0.030059 TDE= -0.171468 logGD-logG0= -0.005665 tlogG= -0.023703 logG= -0.029368 Density= 0.107459 ETOT(band)= -0.116731 trlgG= -0.147266 logG= -0.029368 TDE= -0.171073 logGD-logG0= -0.006146 tlogG= -0.024152 logG= -0.030298 logGD-logG0= -0.005829 tlogG= -0.024108 logG= -0.029937 Density= 0.107898 ETOT(band)= -0.117073 trlgG= -0.148566 logG= -0.030298 TDE= -0.171662 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005692 tlogG= -0.022864 logG= -0.028556 Density= 0.107823 ETOT(band)= -0.116104 trlgG= -0.145793 logG= -0.028556 TDE= -0.170593 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107464 ETOT(band)= -0.117041 trlgG= -0.148006 logG= -0.029937 TDE= -0.171247 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006113 tlogG= -0.024106 logG= -0.030218 logGD-logG0= -0.006124 tlogG= -0.023699 logG= -0.029823 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107315 ETOT(band)= -0.117009 trlgG= -0.147719 logG= -0.029823 TDE= -0.171001 Density= 0.107975 ETOT(band)= -0.116986 trlgG= -0.148440 logG= -0.030218 TDE= -0.171653 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006065 tlogG= -0.023982 logG= -0.030046 logGD-logG0= -0.005842 tlogG= -0.022423 logG= -0.028265 Density= 0.107709 ETOT(band)= -0.115976 trlgG= -0.145311 logG= -0.028265 TDE= -0.170346 logGD-logG0= -0.005552 tlogG= -0.023003 logG= -0.028555 Density= 0.106947 ETOT(band)= -0.116500 trlgG= -0.146086 logG= -0.028555 TDE= -0.170454 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107530 ETOT(band)= -0.117062 trlgG= -0.148111 logG= -0.030046 TDE= -0.171276 logGD-logG0= -0.005945 tlogG= -0.023889 logG= -0.029834 Density= 0.108335 ETOT(band)= -0.116564 trlgG= -0.147807 logG= -0.029834 TDE= -0.171583 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005578 tlogG= -0.023513 logG= -0.029091 Density= 0.106851 ETOT(band)= -0.116820 trlgG= -0.146830 logG= -0.029091 TDE= -0.170614 logGD-logG0= -0.005720 tlogG= -0.024085 logG= -0.029805 Density= 0.107139 ETOT(band)= -0.117102 trlgG= -0.148038 logG= -0.029805 TDE= -0.171251 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005576 tlogG= -0.022868 logG= -0.028444 Density= 0.107372 ETOT(band)= -0.116248 trlgG= -0.145928 logG= -0.028444 TDE= -0.170618 logGD-logG0= -0.006087 tlogG= -0.024077 logG= -0.030164 logGD-logG0= -0.011459 tlogG= -0.048275 logG= -0.059735 Density= 0.108034 ETOT(band)= -0.116919 trlgG= -0.148351 logG= -0.030164 TDE= -0.171647 Density= 0.214570 ETOT(band)= -0.234162 trlgG= -0.296145 logG= -0.059735 TDE= -0.342590 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006139 tlogG= -0.023598 logG= -0.029736 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006099 tlogG= -0.023888 logG= -0.029988 Density= 0.108002 ETOT(band)= -0.116813 trlgG= -0.148055 logG= -0.029988 TDE= -0.171512 Density= 0.107885 ETOT(band)= -0.116716 trlgG= -0.147643 logG= -0.029736 TDE= -0.171293 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011135 tlogG= -0.045791 logG= -0.056927 Density= 0.215169 ETOT(band)= -0.232330 trlgG= -0.291750 logG= -0.056927 TDE= -0.341299 logGD-logG0= -0.011610 tlogG= -0.047932 logG= -0.059542 Density= 0.214136 ETOT(band)= -0.234199 trlgG= -0.295840 logG= -0.059542 TDE= -0.342263 logGD-logG0= -0.011331 tlogG= -0.047192 logG= -0.058523 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213926 ETOT(band)= -0.233757 trlgG= -0.294582 logG= -0.058523 TDE= -0.341920 logGD-logG0= -0.011498 tlogG= -0.047179 logG= -0.058678 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213938 ETOT(band)= -0.233800 trlgG= -0.294371 logG= -0.058678 TDE= -0.341561 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012128 tlogG= -0.048111 logG= -0.060240 logGD-logG0= -0.002814 tlogG= -0.010434 logG= -0.013248 Density= 0.054413 ETOT(band)= -0.057082 trlgG= -0.071127 logG= -0.013248 TDE= -0.084806 Density= 0.215245 ETOT(band)= -0.234142 trlgG= -0.296482 logG= -0.060240 TDE= -0.342756 logGD-logG0= -0.012177 tlogG= -0.047777 logG= -0.059955 Density= 0.214929 ETOT(band)= -0.234087 trlgG= -0.295977 logG= -0.059955 TDE= -0.342380 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011098 tlogG= -0.047479 logG= -0.058577 Density= 0.214471 ETOT(band)= -0.233589 trlgG= -0.294704 logG= -0.058577 TDE= -0.342258 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001899 tlogG= -0.006997 logG= -0.008895 logGD-logG0= -0.012079 tlogG= -0.047335 logG= -0.059414 Density= 0.036220 ETOT(band)= -0.038133 trlgG= -0.047537 logG= -0.008895 TDE= -0.056565 logGD-logG0= -0.005466 tlogG= -0.023219 logG= -0.028685 Density= 0.106812 ETOT(band)= -0.116630 trlgG= -0.146349 logG= -0.028685 TDE= -0.170520 logGD-logG0= -0.011853 tlogG= -0.047689 logG= -0.059543 logGD-logG0= -0.002878 tlogG= -0.010848 logG= -0.013726 logGD-logG0= -0.012043 tlogG= -0.047817 logG= -0.059860 Density= 0.214827 ETOT(band)= -0.234080 trlgG= -0.295810 logG= -0.059860 TDE= -0.342257 Density= 0.214429 ETOT(band)= -0.233980 trlgG= -0.295065 logG= -0.059414 TDE= -0.341761 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214117 ETOT(band)= -0.234186 trlgG= -0.295592 logG= -0.059543 TDE= -0.342005 Density= 0.054099 ETOT(band)= -0.057598 trlgG= -0.071977 logG= -0.013726 TDE= -0.085021 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012317 tlogG= -0.048175 logG= -0.060492 logGD-logG0= -0.011977 tlogG= -0.048009 logG= -0.059986 Density= 0.215245 ETOT(band)= -0.233997 trlgG= -0.296066 logG= -0.059986 TDE= -0.342594 logGD-logG0= -0.012173 tlogG= -0.047979 logG= -0.060152 logGD-logG0= -0.012209 tlogG= -0.048045 logG= -0.060254 Density= 0.215281 ETOT(band)= -0.234133 trlgG= -0.296508 logG= -0.060254 TDE= -0.342787 logGD-logG0= -0.001969 tlogG= -0.007309 logG= -0.009278 Density= 0.035868 ETOT(band)= -0.038580 trlgG= -0.048201 logG= -0.009278 TDE= -0.056673 Density= 0.215598 ETOT(band)= -0.234160 trlgG= -0.296939 logG= -0.060492 TDE= -0.343136 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216072 ETOT(band)= -0.233709 trlgG= -0.296402 logG= -0.060152 TDE= -0.343174 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011727 tlogG= -0.048060 logG= -0.059787 logGD-logG0= -0.011831 tlogG= -0.046441 logG= -0.058272 Density= 0.214701 ETOT(band)= -0.234109 trlgG= -0.295891 logG= -0.059787 TDE= -0.342348 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012271 tlogG= -0.046907 logG= -0.059178 Density= 0.215597 ETOT(band)= -0.233355 trlgG= -0.294809 logG= -0.059178 TDE= -0.342319 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215376 ETOT(band)= -0.232965 trlgG= -0.293369 logG= -0.058272 TDE= -0.341675 logGD-logG0= -0.012251 tlogG= -0.047566 logG= -0.059816 Density= 0.215873 ETOT(band)= -0.233592 trlgG= -0.295844 logG= -0.059816 TDE= -0.342853 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005997 tlogG= -0.022985 logG= -0.028983 logGD-logG0= -0.012229 tlogG= -0.047927 logG= -0.060156 logGD-logG0= -0.011451 tlogG= -0.047256 logG= -0.058706 Density= 0.214639 ETOT(band)= -0.233550 trlgG= -0.294473 logG= -0.058706 TDE= -0.341980 Density= 0.216382 ETOT(band)= -0.232112 trlgG= -0.292318 logG= -0.028983 TDE= -0.170951 logGD-logG0= -0.006026 tlogG= -0.023433 logG= -0.029459 Density= 0.216362 ETOT(band)= -0.232684 trlgG= -0.293935 logG= -0.029459 TDE= -0.171239 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012229 tlogG= -0.047449 logG= -0.059679 Density= 0.215943 ETOT(band)= -0.233781 trlgG= -0.296407 logG= -0.060156 TDE= -0.343110 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011745 tlogG= -0.047182 logG= -0.058927 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215316 ETOT(band)= -0.233365 trlgG= -0.294388 logG= -0.058927 TDE= -0.342010 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215639 ETOT(band)= -0.233631 trlgG= -0.295609 logG= -0.059679 TDE= -0.342639 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005758 tlogG= -0.023894 logG= -0.029652 Density= 0.213952 ETOT(band)= -0.234027 trlgG= -0.294772 logG= -0.029652 TDE= -0.170843 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005618 tlogG= -0.023261 logG= -0.028878 Density= 0.213655 ETOT(band)= -0.233636 trlgG= -0.293999 logG= -0.028878 TDE= -0.170795 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005671 tlogG= -0.023853 logG= -0.029524 Density= 0.213737 ETOT(band)= -0.234165 trlgG= -0.295513 logG= -0.029524 TDE= -0.171099 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005483 tlogG= -0.023386 logG= -0.028870 Density= 0.214340 ETOT(band)= -0.233395 trlgG= -0.294102 logG= -0.028870 TDE= -0.170958 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006266 tlogG= -0.023368 logG= -0.029634 Density= 0.215272 ETOT(band)= -0.233376 trlgG= -0.294463 logG= -0.029634 TDE= -0.171014 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.024065 logG= -0.029240 Density= 0.106195 ETOT(band)= -0.117171 trlgG= -0.147678 logG= -0.029240 TDE= -0.170989 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005819 tlogG= -0.021891 logG= -0.027710 Density= 0.108398 ETOT(band)= -0.115260 trlgG= -0.144376 logG= -0.027710 TDE= -0.170307 logGD-logG0= -0.005730 tlogG= -0.021580 logG= -0.027310 logGD-logG0= -0.006003 tlogG= -0.023207 logG= -0.029209 Density= 0.215026 ETOT(band)= -0.232978 trlgG= -0.292972 logG= -0.029209 TDE= -0.170670 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108587 ETOT(band)= -0.114895 trlgG= -0.143694 logG= -0.027310 TDE= -0.170117 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005646 tlogG= -0.021005 logG= -0.026651 Density= 0.108781 ETOT(band)= -0.114310 trlgG= -0.142534 logG= -0.026651 TDE= -0.169713 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005901 tlogG= -0.021833 logG= -0.027734 Density= 0.107862 ETOT(band)= -0.115549 trlgG= -0.144440 logG= -0.027734 TDE= -0.170081 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011675 tlogG= -0.043419 logG= -0.055094 Density= 0.216423 ETOT(band)= -0.230503 trlgG= -0.288232 logG= -0.055094 TDE= -0.340235 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005840 tlogG= -0.021710 logG= -0.027550 Density= 0.108004 ETOT(band)= -0.115357 trlgG= -0.144129 logG= -0.027550 TDE= -0.170025 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001481 tlogG= -0.005943 logG= -0.007425 Density= 0.080897 ETOT(band)= -0.087656 trlgG= -0.111016 logG= -0.007425 TDE= -0.042879 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001477 tlogG= -0.005860 logG= -0.007336 Density= 0.080711 ETOT(band)= -0.087621 trlgG= -0.110821 logG= -0.007336 TDE= -0.042824 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006019 tlogG= -0.023780 logG= -0.029799 Density= 0.216449 ETOT(band)= -0.233064 trlgG= -0.295140 logG= -0.029799 TDE= -0.171478 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011126 tlogG= -0.046740 logG= -0.057866 Density= 0.428198 ETOT(band)= -0.466178 trlgG= -0.585381 logG= -0.057866 TDE= -0.341320 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005730 tlogG= -0.021317 logG= -0.027047 Density= 0.162764 ETOT(band)= -0.173013 trlgG= -0.217219 logG= -0.027047 TDE= -0.169930 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011333 tlogG= -0.047675 logG= -0.059008 Density= 0.426997 ETOT(band)= -0.468403 trlgG= -0.590528 logG= -0.059008 TDE= -0.341898 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010649 tlogG= -0.048123 logG= -0.058772 logGD-logG0= -0.011593 tlogG= -0.046431 logG= -0.058024 Density= 0.425851 ETOT(band)= -0.468376 trlgG= -0.590025 logG= -0.058772 TDE= -0.341877 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429841 ETOT(band)= -0.465609 trlgG= -0.585025 logG= -0.058024 TDE= -0.341430 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001462 tlogG= -0.005752 logG= -0.007214 Density= 0.080696 ETOT(band)= -0.087406 trlgG= -0.110268 logG= -0.007214 TDE= -0.042759 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.005623 logG= -0.007064 Density= 0.080894 ETOT(band)= -0.086979 trlgG= -0.109263 logG= -0.007064 TDE= -0.042682 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001716 tlogG= -0.007970 logG= -0.009686 Density= 0.070918 ETOT(band)= -0.077956 trlgG= -0.098050 logG= -0.009686 TDE= -0.056979 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006042 tlogG= -0.024019 logG= -0.030062 Density= 0.215861 ETOT(band)= -0.233881 trlgG= -0.296562 logG= -0.030062 TDE= -0.171629 logGD-logG0= -0.001480 tlogG= -0.005988 logG= -0.007468 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081126 ETOT(band)= -0.087560 trlgG= -0.111065 logG= -0.007468 TDE= -0.042909 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006078 tlogG= -0.023818 logG= -0.029895 Density= 0.215506 ETOT(band)= -0.233785 trlgG= -0.295912 logG= -0.029895 TDE= -0.171476 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006077 tlogG= -0.023496 logG= -0.029573 Density= 0.215380 ETOT(band)= -0.233351 trlgG= -0.294653 logG= -0.029573 TDE= -0.171219 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006005 tlogG= -0.024018 logG= -0.030023 Density= 0.216531 ETOT(band)= -0.233367 trlgG= -0.296075 logG= -0.030023 TDE= -0.171646 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001854 tlogG= -0.006879 logG= -0.008733 Density= 0.040874 ETOT(band)= -0.042681 trlgG= -0.053123 logG= -0.008733 TDE= -0.056479 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005446 tlogG= -0.023903 logG= -0.029349 Density= 0.213440 ETOT(band)= -0.233881 trlgG= -0.294266 logG= -0.029349 TDE= -0.170832 logGD-logG0= -0.005332 tlogG= -0.023600 logG= -0.028932 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212774 ETOT(band)= -0.234013 trlgG= -0.294526 logG= -0.028932 TDE= -0.170744 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001391 tlogG= -0.005175 logG= -0.006566 Density= 0.062584 ETOT(band)= -0.067553 trlgG= -0.084725 logG= -0.006566 TDE= -0.042371 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005904 tlogG= -0.023859 logG= -0.029763 Density= 0.215668 ETOT(band)= -0.233782 trlgG= -0.296015 logG= -0.029763 TDE= -0.171164 logGD-logG0= -0.005605 tlogG= -0.024022 logG= -0.029627 Density= 0.321817 ETOT(band)= -0.351137 trlgG= -0.443976 logG= -0.029627 TDE= -0.171275 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005874 tlogG= -0.024178 logG= -0.030052 Density= 0.322700 ETOT(band)= -0.351252 trlgG= -0.444640 logG= -0.030052 TDE= -0.171281 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001851 tlogG= -0.007593 logG= -0.009444 logGD-logG0= -0.012041 tlogG= -0.047822 logG= -0.059863 Density= 0.324611 ETOT(band)= -0.349954 trlgG= -0.443614 logG= -0.059863 TDE= -0.343131 Density= 0.071546 ETOT(band)= -0.077357 trlgG= -0.096744 logG= -0.009444 TDE= -0.056754 logGD-logG0= -0.005801 tlogG= -0.022918 logG= -0.028719 Density= 0.214948 ETOT(band)= -0.232427 trlgG= -0.291443 logG= -0.028719 TDE= -0.170481 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005422 tlogG= -0.023986 logG= -0.029408 logGD-logG0= -0.012090 tlogG= -0.047271 logG= -0.059361 Density= 0.212969 ETOT(band)= -0.234288 trlgG= -0.295267 logG= -0.029408 TDE= -0.170880 Density= 0.324386 ETOT(band)= -0.349586 trlgG= -0.442272 logG= -0.059361 TDE= -0.342739 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005854 tlogG= -0.023259 logG= -0.029113 Density= 0.321950 ETOT(band)= -0.350597 trlgG= -0.442248 logG= -0.029113 TDE= -0.170905 logGD-logG0= -0.005936 tlogG= -0.022455 logG= -0.028391 logGD-logG0= -0.011819 tlogG= -0.045657 logG= -0.057476 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216519 ETOT(band)= -0.231317 trlgG= -0.290332 logG= -0.028391 TDE= -0.170616 Density= 0.324275 ETOT(band)= -0.347990 trlgG= -0.437568 logG= -0.057476 TDE= -0.341556 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006076 tlogG= -0.024098 logG= -0.030174 Density= 0.323324 ETOT(band)= -0.351226 trlgG= -0.445281 logG= -0.030174 TDE= -0.171475 logGD-logG0= -0.005513 tlogG= -0.023383 logG= -0.028896 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321874 ETOT(band)= -0.350094 trlgG= -0.441402 logG= -0.028896 TDE= -0.170950 logGD-logG0= -0.005911 tlogG= -0.023973 logG= -0.029884 Density= 0.214509 ETOT(band)= -0.234113 trlgG= -0.295672 logG= -0.029884 TDE= -0.171113 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006137 tlogG= -0.024141 logG= -0.030278 Density= 0.215894 ETOT(band)= -0.234036 trlgG= -0.296976 logG= -0.030278 TDE= -0.171662 logGD-logG0= -0.005849 tlogG= -0.024172 logG= -0.030022 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012337 tlogG= -0.048073 logG= -0.060410 Density= 0.323509 ETOT(band)= -0.351019 trlgG= -0.444975 logG= -0.060410 TDE= -0.343126 Density= 0.214913 ETOT(band)= -0.234187 trlgG= -0.296280 logG= -0.030022 TDE= -0.171286 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012087 tlogG= -0.046450 logG= -0.058537 Density= 0.324239 ETOT(band)= -0.348930 trlgG= -0.440188 logG= -0.058537 TDE= -0.342181 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006172 tlogG= -0.023976 logG= -0.030148 Density= 0.323924 ETOT(band)= -0.350695 trlgG= -0.444713 logG= -0.030148 TDE= -0.171533 logGD-logG0= -0.005998 tlogG= -0.023974 logG= -0.029973 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216564 ETOT(band)= -0.233263 trlgG= -0.295842 logG= -0.029973 TDE= -0.171619 logGD-logG0= -0.011338 tlogG= -0.046635 logG= -0.057973 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322939 ETOT(band)= -0.349053 trlgG= -0.439024 logG= -0.057973 TDE= -0.341708 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005574 tlogG= -0.024023 logG= -0.029596 Density= 0.214286 ETOT(band)= -0.234105 trlgG= -0.295893 logG= -0.029596 TDE= -0.171280 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011308 tlogG= -0.047871 logG= -0.059180 Density= 0.428368 ETOT(band)= -0.468193 trlgG= -0.591373 logG= -0.059180 TDE= -0.342366 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006188 tlogG= -0.023917 logG= -0.030105 Density= 0.215820 ETOT(band)= -0.233783 trlgG= -0.296291 logG= -0.030105 TDE= -0.171485 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006238 tlogG= -0.023703 logG= -0.029940 Density= 0.215579 ETOT(band)= -0.233634 trlgG= -0.295598 logG= -0.029940 TDE= -0.171308 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011925 tlogG= -0.047698 logG= -0.059623 Density= 0.428626 ETOT(band)= -0.468176 trlgG= -0.590700 logG= -0.059623 TDE= -0.342007 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011806 tlogG= -0.048179 logG= -0.059986 Density= 0.429643 ETOT(band)= -0.468307 trlgG= -0.592123 logG= -0.059986 TDE= -0.342412 logGD-logG0= -0.001411 tlogG= -0.005311 logG= -0.006721 Density= 0.081612 ETOT(band)= -0.085702 trlgG= -0.106862 logG= -0.006721 TDE= -0.042473 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011286 tlogG= -0.047794 logG= -0.059080 logGD-logG0= -0.011935 tlogG= -0.048251 logG= -0.060186 Density= 0.427500 ETOT(band)= -0.467955 trlgG= -0.589370 logG= -0.059080 TDE= -0.341600 Density= 0.430383 ETOT(band)= -0.468313 trlgG= -0.592882 logG= -0.060186 TDE= -0.342631 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011166 tlogG= -0.046639 logG= -0.057804 Density= 0.428411 ETOT(band)= -0.466896 trlgG= -0.587983 logG= -0.057804 TDE= -0.341735 logGD-logG0= -0.011975 tlogG= -0.047987 logG= -0.059962 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429545 ETOT(band)= -0.468268 trlgG= -0.591773 logG= -0.059962 TDE= -0.342255 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012311 tlogG= -0.047757 logG= -0.060068 Density= 0.431095 ETOT(band)= -0.467570 trlgG= -0.591830 logG= -0.060068 TDE= -0.342772 logGD-logG0= -0.012403 tlogG= -0.047730 logG= -0.060133 Density= 0.431439 ETOT(band)= -0.467515 trlgG= -0.592184 logG= -0.060133 TDE= -0.342879 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001968 tlogG= -0.007122 logG= -0.009090 Density= 0.072277 ETOT(band)= -0.076493 trlgG= -0.095423 logG= -0.009090 TDE= -0.056639 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011664 tlogG= -0.047591 logG= -0.059255 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428934 ETOT(band)= -0.467524 trlgG= -0.589735 logG= -0.059255 TDE= -0.342051 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012144 tlogG= -0.048100 logG= -0.060243 Density= 0.430488 ETOT(band)= -0.468144 trlgG= -0.592553 logG= -0.060243 TDE= -0.342756 logGD-logG0= -0.011977 tlogG= -0.046960 logG= -0.058937 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430204 ETOT(band)= -0.466520 trlgG= -0.587721 logG= -0.058937 TDE= -0.341723 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012323 tlogG= -0.048056 logG= -0.060379 logGD-logG0= -0.011478 tlogG= -0.047884 logG= -0.059362 Density= 0.429471 ETOT(band)= -0.467971 trlgG= -0.591325 logG= -0.059362 TDE= -0.342352 logGD-logG0= -0.005780 tlogG= -0.022308 logG= -0.028087 Density= 0.431682 ETOT(band)= -0.467798 trlgG= -0.593171 logG= -0.060379 TDE= -0.343144 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214410 ETOT(band)= -0.232468 trlgG= -0.291212 logG= -0.028087 TDE= -0.170217 logGD-logG0= -0.012373 tlogG= -0.047297 logG= -0.059670 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430818 ETOT(band)= -0.467146 trlgG= -0.590364 logG= -0.059670 TDE= -0.342388 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011900 tlogG= -0.047599 logG= -0.059499 Density= 0.430342 ETOT(band)= -0.467166 trlgG= -0.589650 logG= -0.059499 TDE= -0.342169 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023754 logG= -0.029032 Density= 0.213240 ETOT(band)= -0.233608 trlgG= -0.293544 logG= -0.029032 TDE= -0.170829 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.005472 logG= -0.006903 Density= 0.081255 ETOT(band)= -0.086368 trlgG= -0.108026 logG= -0.006903 TDE= -0.042585 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005750 tlogG= -0.022487 logG= -0.028237 Density= 0.215170 ETOT(band)= -0.231695 trlgG= -0.289806 logG= -0.028237 TDE= -0.170230 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005665 tlogG= -0.022342 logG= -0.028007 Density= 0.323098 ETOT(band)= -0.348025 trlgG= -0.436645 logG= -0.028007 TDE= -0.170298 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011608 tlogG= -0.044651 logG= -0.056259 Density= 0.324510 ETOT(band)= -0.346724 trlgG= -0.434569 logG= -0.056259 TDE= -0.340877 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.024146 logG= -0.029295 Density= 0.212328 ETOT(band)= -0.234391 trlgG= -0.295481 logG= -0.029295 TDE= -0.171028 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005624 tlogG= -0.022342 logG= -0.027966 Density= 0.215178 ETOT(band)= -0.231982 trlgG= -0.290850 logG= -0.027966 TDE= -0.170303 logGD-logG0= -0.005813 tlogG= -0.021367 logG= -0.027180 Density= 0.217163 ETOT(band)= -0.229218 trlgG= -0.286024 logG= -0.027180 TDE= -0.169943 logGD-logG0= -0.005907 tlogG= -0.021896 logG= -0.027803 Density= 0.216774 ETOT(band)= -0.230320 trlgG= -0.288235 logG= -0.027803 TDE= -0.170276 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005771 tlogG= -0.021222 logG= -0.026993 Density= 0.216490 ETOT(band)= -0.230076 trlgG= -0.287287 logG= -0.026993 TDE= -0.169849 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011478 tlogG= -0.044656 logG= -0.056133 Density= 0.431903 ETOT(band)= -0.462148 trlgG= -0.578250 logG= -0.056133 TDE= -0.340515 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.853408781963 eV TrLogG= -409.822863111034 eV Ratio to renormalize= 0.999271569562 rho-rho_expected= 0.016037151583 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964744556250589 0.940578548013997 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005201 tlogG= -0.023987 logG= -0.029188 Density= 0.106246 ETOT(band)= -0.117123 trlgG= -0.147558 logG= -0.029188 TDE= -0.170946 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.024064 logG= -0.029239 Density= 0.106194 ETOT(band)= -0.117166 trlgG= -0.147672 logG= -0.029239 TDE= -0.170984 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005842 tlogG= -0.022421 logG= -0.028264 logGD-logG0= -0.005552 tlogG= -0.023002 logG= -0.028554 Density= 0.107707 ETOT(band)= -0.115972 trlgG= -0.145306 logG= -0.028264 TDE= -0.170341 Density= 0.106946 ETOT(band)= -0.116496 trlgG= -0.146081 logG= -0.028554 TDE= -0.170449 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001969 tlogG= -0.007309 logG= -0.009277 Density= 0.035868 ETOT(band)= -0.038579 trlgG= -0.048199 logG= -0.009277 TDE= -0.056671 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001899 tlogG= -0.006996 logG= -0.008895 Density= 0.036219 ETOT(band)= -0.038132 trlgG= -0.047535 logG= -0.008895 TDE= -0.056563 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005902 tlogG= -0.021832 logG= -0.027733 Density= 0.107860 ETOT(band)= -0.115545 trlgG= -0.144435 logG= -0.027733 TDE= -0.170076 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005841 tlogG= -0.021708 logG= -0.027549 Density= 0.108003 ETOT(band)= -0.115353 trlgG= -0.144124 logG= -0.027549 TDE= -0.170020 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.003020 tlogG= -0.012039 logG= -0.015058 Density= 0.053805 ETOT(band)= -0.058536 trlgG= -0.074116 logG= -0.015058 TDE= -0.085683 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 Density= 0.004546 ETOT(band)= -0.004734 trlgG= -0.005888 logG= -0.001083 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002840 tlogG= -0.012089 logG= -0.014929 Density= 0.053625 ETOT(band)= -0.058547 trlgG= -0.074061 logG= -0.014929 TDE= -0.085669 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002749 tlogG= -0.011455 logG= -0.014204 Density= 0.053773 ETOT(band)= -0.058074 trlgG= -0.072934 logG= -0.014204 TDE= -0.085340 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002745 tlogG= -0.011891 logG= -0.014635 logGD-logG0= -0.001769 tlogG= -0.007815 logG= -0.009584 Density= 0.053601 ETOT(band)= -0.058403 trlgG= -0.073700 logG= -0.014635 TDE= -0.085589 logGD-logG0= -0.001690 tlogG= -0.008049 logG= -0.009739 Density= 0.035339 ETOT(band)= -0.039077 trlgG= -0.049268 logG= -0.009739 TDE= -0.057016 Density= 0.035517 ETOT(band)= -0.038926 trlgG= -0.048901 logG= -0.009584 TDE= -0.056892 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002969 tlogG= -0.011992 logG= -0.014961 logGD-logG0= -0.005973 tlogG= -0.023779 logG= -0.029752 Density= 0.108262 ETOT(band)= -0.116549 trlgG= -0.147674 logG= -0.029752 TDE= -0.171495 Density= 0.054180 ETOT(band)= -0.058300 trlgG= -0.073973 logG= -0.014961 TDE= -0.085823 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005959 tlogG= -0.023966 logG= -0.029925 Density= 0.108314 ETOT(band)= -0.116625 trlgG= -0.147951 logG= -0.029925 TDE= -0.171625 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005968 tlogG= -0.023446 logG= -0.029414 Density= 0.108212 ETOT(band)= -0.116387 trlgG= -0.147139 logG= -0.029414 TDE= -0.171274 logGD-logG0= -0.006112 tlogG= -0.024084 logG= -0.030196 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107728 ETOT(band)= -0.117073 trlgG= -0.148375 logG= -0.030196 TDE= -0.171488 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005855 tlogG= -0.022472 logG= -0.028327 Density= 0.108277 ETOT(band)= -0.115746 trlgG= -0.145416 logG= -0.028327 TDE= -0.170670 logGD-logG0= -0.005692 tlogG= -0.022863 logG= -0.028555 Density= 0.107822 ETOT(band)= -0.116100 trlgG= -0.145787 logG= -0.028555 TDE= -0.170588 logGD-logG0= -0.003040 tlogG= -0.011996 logG= -0.015036 Density= 0.054026 ETOT(band)= -0.058420 trlgG= -0.074096 logG= -0.015036 TDE= -0.085795 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005830 tlogG= -0.024106 logG= -0.029936 logGD-logG0= -0.005925 tlogG= -0.022998 logG= -0.028923 Density= 0.108212 ETOT(band)= -0.116117 trlgG= -0.146364 logG= -0.028923 TDE= -0.170991 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005771 tlogG= -0.022184 logG= -0.027955 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108431 ETOT(band)= -0.115441 trlgG= -0.144807 logG= -0.027955 TDE= -0.170509 Density= 0.107462 ETOT(band)= -0.117037 trlgG= -0.148000 logG= -0.029936 TDE= -0.171242 logGD-logG0= -0.005395 tlogG= -0.024058 logG= -0.029452 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106467 ETOT(band)= -0.117154 trlgG= -0.147675 logG= -0.029452 TDE= -0.170908 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005946 tlogG= -0.023887 logG= -0.029833 logGD-logG0= -0.006147 tlogG= -0.024150 logG= -0.030297 Density= 0.107897 ETOT(band)= -0.117070 trlgG= -0.148561 logG= -0.030297 TDE= -0.171657 Density= 0.108334 ETOT(band)= -0.116560 trlgG= -0.147802 logG= -0.029833 TDE= -0.171578 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006114 tlogG= -0.024104 logG= -0.030217 Density= 0.107973 ETOT(band)= -0.116982 trlgG= -0.148435 logG= -0.030217 TDE= -0.171648 logGD-logG0= -0.005467 tlogG= -0.023218 logG= -0.028684 logGD-logG0= -0.005850 tlogG= -0.022749 logG= -0.028599 Density= 0.108323 ETOT(band)= -0.115882 trlgG= -0.145851 logG= -0.028599 TDE= -0.170856 logGD-logG0= -0.005949 tlogG= -0.023621 logG= -0.029570 logGD-logG0= -0.005918 tlogG= -0.023231 logG= -0.029148 Density= 0.108273 ETOT(band)= -0.116211 trlgG= -0.146719 logG= -0.029148 TDE= -0.171150 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108286 ETOT(band)= -0.116434 trlgG= -0.147382 logG= -0.029570 TDE= -0.171398 Density= 0.106811 ETOT(band)= -0.116626 trlgG= -0.146344 logG= -0.028684 TDE= -0.170515 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006125 tlogG= -0.023697 logG= -0.029822 logGD-logG0= -0.005842 tlogG= -0.023653 logG= -0.029495 Density= 0.107058 ETOT(band)= -0.116934 trlgG= -0.147167 logG= -0.029495 TDE= -0.170650 logGD-logG0= -0.005721 tlogG= -0.024083 logG= -0.029804 Density= 0.107138 ETOT(band)= -0.117098 trlgG= -0.148032 logG= -0.029804 TDE= -0.171246 logGD-logG0= -0.006065 tlogG= -0.023980 logG= -0.030045 Density= 0.107314 ETOT(band)= -0.117005 trlgG= -0.147714 logG= -0.029822 TDE= -0.170996 logGD-logG0= -0.006144 tlogG= -0.023914 logG= -0.030058 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005942 tlogG= -0.022888 logG= -0.028829 Density= 0.107692 ETOT(band)= -0.116304 trlgG= -0.146201 logG= -0.028829 TDE= -0.170663 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107528 ETOT(band)= -0.117059 trlgG= -0.148106 logG= -0.030045 TDE= -0.171271 Density= 0.107836 ETOT(band)= -0.116940 trlgG= -0.148159 logG= -0.030058 TDE= -0.171463 logGD-logG0= -0.005527 tlogG= -0.023680 logG= -0.029207 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005549 tlogG= -0.023701 logG= -0.029250 Density= 0.106675 ETOT(band)= -0.116962 trlgG= -0.147259 logG= -0.029207 TDE= -0.170840 Density= 0.107054 ETOT(band)= -0.116846 trlgG= -0.147358 logG= -0.029250 TDE= -0.171084 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005666 tlogG= -0.023702 logG= -0.029367 logGD-logG0= -0.005578 tlogG= -0.023512 logG= -0.029090 Density= 0.106850 ETOT(band)= -0.116816 trlgG= -0.146824 logG= -0.029090 TDE= -0.170609 Density= 0.107458 ETOT(band)= -0.116727 trlgG= -0.147260 logG= -0.029367 TDE= -0.171068 logGD-logG0= -0.005751 tlogG= -0.023903 logG= -0.029654 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106838 ETOT(band)= -0.117116 trlgG= -0.147783 logG= -0.029654 TDE= -0.170997 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005577 tlogG= -0.022866 logG= -0.028443 Density= 0.107371 ETOT(band)= -0.116244 trlgG= -0.145923 logG= -0.028443 TDE= -0.170613 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011461 tlogG= -0.048272 logG= -0.059733 logGD-logG0= -0.010806 tlogG= -0.047656 logG= -0.058462 Density= 0.214567 ETOT(band)= -0.234155 trlgG= -0.296134 logG= -0.059733 TDE= -0.342580 logGD-logG0= -0.006100 tlogG= -0.023887 logG= -0.029987 Density= 0.108001 ETOT(band)= -0.116809 trlgG= -0.148050 logG= -0.029987 TDE= -0.171507 Density= 0.213081 ETOT(band)= -0.234046 trlgG= -0.294652 logG= -0.058462 TDE= -0.341633 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011136 tlogG= -0.045788 logG= -0.056925 Density= 0.215166 ETOT(band)= -0.232323 trlgG= -0.291739 logG= -0.056925 TDE= -0.341290 logGD-logG0= -0.011517 tlogG= -0.045677 logG= -0.057193 Density= 0.215300 ETOT(band)= -0.232398 trlgG= -0.291725 logG= -0.057193 TDE= -0.341072 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011424 tlogG= -0.045619 logG= -0.057042 Density= 0.214512 ETOT(band)= -0.232671 trlgG= -0.291926 logG= -0.057042 TDE= -0.341035 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006088 tlogG= -0.024075 logG= -0.030163 logGD-logG0= -0.006139 tlogG= -0.023596 logG= -0.029735 Density= 0.107883 ETOT(band)= -0.116712 trlgG= -0.147637 logG= -0.029735 TDE= -0.171288 Density= 0.108033 ETOT(band)= -0.116915 trlgG= -0.148345 logG= -0.030163 TDE= -0.171642 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011233 tlogG= -0.047953 logG= -0.059187 Density= 0.213434 ETOT(band)= -0.234254 trlgG= -0.295292 logG= -0.059187 TDE= -0.341723 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011333 tlogG= -0.047188 logG= -0.058521 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012129 tlogG= -0.048108 logG= -0.060238 Density= 0.213923 ETOT(band)= -0.233749 trlgG= -0.294571 logG= -0.058521 TDE= -0.341910 Density= 0.215242 ETOT(band)= -0.234134 trlgG= -0.296471 logG= -0.060238 TDE= -0.342746 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011499 tlogG= -0.047177 logG= -0.058676 Density= 0.213936 ETOT(band)= -0.233792 trlgG= -0.294360 logG= -0.058676 TDE= -0.341551 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012178 tlogG= -0.047774 logG= -0.059953 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214926 ETOT(band)= -0.234080 trlgG= -0.295966 logG= -0.059953 TDE= -0.342370 logGD-logG0= -0.011099 tlogG= -0.047476 logG= -0.058575 Density= 0.214469 ETOT(band)= -0.233581 trlgG= -0.294693 logG= -0.058575 TDE= -0.342248 logGD-logG0= -0.012044 tlogG= -0.047814 logG= -0.059858 logGD-logG0= -0.002814 tlogG= -0.010433 logG= -0.013247 Density= 0.054413 ETOT(band)= -0.057080 trlgG= -0.071124 logG= -0.013247 TDE= -0.084803 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214824 ETOT(band)= -0.234073 trlgG= -0.295799 logG= -0.059858 TDE= -0.342246 logGD-logG0= -0.011978 tlogG= -0.048006 logG= -0.059984 Density= 0.215242 ETOT(band)= -0.233989 trlgG= -0.296055 logG= -0.059984 TDE= -0.342584 logGD-logG0= -0.006134 tlogG= -0.023208 logG= -0.029342 Density= 0.107763 ETOT(band)= -0.116551 trlgG= -0.147010 logG= -0.029342 TDE= -0.170994 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012318 tlogG= -0.048172 logG= -0.060490 logGD-logG0= -0.011611 tlogG= -0.047929 logG= -0.059540 Density= 0.214133 ETOT(band)= -0.234192 trlgG= -0.295829 logG= -0.059540 TDE= -0.342253 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215596 ETOT(band)= -0.234152 trlgG= -0.296928 logG= -0.060490 TDE= -0.343126 logGD-logG0= -0.011832 tlogG= -0.046438 logG= -0.058270 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215373 ETOT(band)= -0.232957 trlgG= -0.293358 logG= -0.058270 TDE= -0.341665 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012175 tlogG= -0.047975 logG= -0.060150 logGD-logG0= -0.012252 tlogG= -0.047562 logG= -0.059814 logGD-logG0= -0.011728 tlogG= -0.048057 logG= -0.059785 Density= 0.215870 ETOT(band)= -0.233585 trlgG= -0.295834 logG= -0.059814 TDE= -0.342843 Density= 0.214698 ETOT(band)= -0.234102 trlgG= -0.295880 logG= -0.059785 TDE= -0.342338 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216069 ETOT(band)= -0.233702 trlgG= -0.296392 logG= -0.060150 TDE= -0.343164 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012230 tlogG= -0.047447 logG= -0.059677 logGD-logG0= -0.012079 tlogG= -0.047332 logG= -0.059412 Density= 0.214426 ETOT(band)= -0.233972 trlgG= -0.295054 logG= -0.059412 TDE= -0.341751 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012272 tlogG= -0.046904 logG= -0.059176 Density= 0.215594 ETOT(band)= -0.233347 trlgG= -0.294798 logG= -0.059176 TDE= -0.342309 logGD-logG0= -0.012210 tlogG= -0.048042 logG= -0.060252 Density= 0.215278 ETOT(band)= -0.234125 trlgG= -0.296497 logG= -0.060252 TDE= -0.342776 logGD-logG0= -0.012231 tlogG= -0.047924 logG= -0.060154 Density= 0.215636 ETOT(band)= -0.233624 trlgG= -0.295598 logG= -0.059677 TDE= -0.342629 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215940 ETOT(band)= -0.233774 trlgG= -0.296396 logG= -0.060154 TDE= -0.343099 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023599 logG= -0.028931 Density= 0.212772 ETOT(band)= -0.234004 trlgG= -0.294515 logG= -0.028931 TDE= -0.170739 logGD-logG0= -0.011452 tlogG= -0.047252 logG= -0.058704 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214636 ETOT(band)= -0.233542 trlgG= -0.294462 logG= -0.058704 TDE= -0.341970 logGD-logG0= -0.011854 tlogG= -0.047686 logG= -0.059540 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214114 ETOT(band)= -0.234178 trlgG= -0.295581 logG= -0.059540 TDE= -0.341995 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011746 tlogG= -0.047179 logG= -0.058925 Density= 0.215313 ETOT(band)= -0.233357 trlgG= -0.294377 logG= -0.058925 TDE= -0.342000 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005801 tlogG= -0.022917 logG= -0.028718 Density= 0.214946 ETOT(band)= -0.232420 trlgG= -0.291433 logG= -0.028718 TDE= -0.170476 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002878 tlogG= -0.010848 logG= -0.013726 Density= 0.054099 ETOT(band)= -0.057596 trlgG= -0.071974 logG= -0.013726 TDE= -0.085019 logGD-logG0= -0.001851 tlogG= -0.007592 logG= -0.009444 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.071545 ETOT(band)= -0.077355 trlgG= -0.096741 logG= -0.009444 TDE= -0.056752 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005820 tlogG= -0.021889 logG= -0.027709 Density= 0.108396 ETOT(band)= -0.115256 trlgG= -0.144371 logG= -0.027709 TDE= -0.170302 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005731 tlogG= -0.021578 logG= -0.027309 Density= 0.108585 ETOT(band)= -0.114891 trlgG= -0.143689 logG= -0.027309 TDE= -0.170112 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005150 tlogG= -0.024144 logG= -0.029294 Density= 0.212327 ETOT(band)= -0.234383 trlgG= -0.295469 logG= -0.029294 TDE= -0.171023 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005647 tlogG= -0.021003 logG= -0.026650 Density= 0.108779 ETOT(band)= -0.114306 trlgG= -0.142529 logG= -0.026650 TDE= -0.169708 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005750 tlogG= -0.022486 logG= -0.028236 Density= 0.215168 ETOT(band)= -0.231687 trlgG= -0.289795 logG= -0.028236 TDE= -0.170225 logGD-logG0= -0.005780 tlogG= -0.022306 logG= -0.028086 Density= 0.214408 ETOT(band)= -0.232461 trlgG= -0.291201 logG= -0.028086 TDE= -0.170212 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001968 tlogG= -0.007122 logG= -0.009090 Density= 0.072277 ETOT(band)= -0.076490 trlgG= -0.095420 logG= -0.009090 TDE= -0.056638 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011676 tlogG= -0.043416 logG= -0.055092 Density= 0.216421 ETOT(band)= -0.230496 trlgG= -0.288222 logG= -0.055092 TDE= -0.340225 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005771 tlogG= -0.021220 logG= -0.026992 Density= 0.216487 ETOT(band)= -0.230069 trlgG= -0.287277 logG= -0.026992 TDE= -0.169845 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001482 tlogG= -0.005943 logG= -0.007424 Density= 0.080895 ETOT(band)= -0.087653 trlgG= -0.111012 logG= -0.007424 TDE= -0.042877 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001477 tlogG= -0.005859 logG= -0.007336 Density= 0.080710 ETOT(band)= -0.087618 trlgG= -0.110817 logG= -0.007336 TDE= -0.042823 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001462 tlogG= -0.005752 logG= -0.007213 Density= 0.080695 ETOT(band)= -0.087403 trlgG= -0.110264 logG= -0.007213 TDE= -0.042758 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001441 tlogG= -0.005623 logG= -0.007064 Density= 0.080893 ETOT(band)= -0.086976 trlgG= -0.109259 logG= -0.007064 TDE= -0.042681 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001480 tlogG= -0.005988 logG= -0.007468 Density= 0.081125 ETOT(band)= -0.087558 trlgG= -0.111061 logG= -0.007468 TDE= -0.042907 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006043 tlogG= -0.024017 logG= -0.030061 Density= 0.215858 ETOT(band)= -0.233873 trlgG= -0.296551 logG= -0.030061 TDE= -0.171623 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001716 tlogG= -0.007970 logG= -0.009686 Density= 0.070917 ETOT(band)= -0.077954 trlgG= -0.098046 logG= -0.009686 TDE= -0.056977 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006079 tlogG= -0.023816 logG= -0.029894 Density= 0.215503 ETOT(band)= -0.233778 trlgG= -0.295902 logG= -0.029894 TDE= -0.171471 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006006 tlogG= -0.024016 logG= -0.030022 Density= 0.216527 ETOT(band)= -0.233360 trlgG= -0.296064 logG= -0.030022 TDE= -0.171641 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006078 tlogG= -0.023495 logG= -0.029572 Density= 0.215377 ETOT(band)= -0.233343 trlgG= -0.294642 logG= -0.029572 TDE= -0.171214 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005606 tlogG= -0.024020 logG= -0.029626 Density= 0.321813 ETOT(band)= -0.351125 trlgG= -0.443960 logG= -0.029626 TDE= -0.171270 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005423 tlogG= -0.023984 logG= -0.029407 logGD-logG0= -0.005937 tlogG= -0.022453 logG= -0.028390 Density= 0.216516 ETOT(band)= -0.231310 trlgG= -0.290322 logG= -0.028390 TDE= -0.170611 logGD-logG0= -0.006027 tlogG= -0.023431 logG= -0.029458 Density= 0.216359 ETOT(band)= -0.232677 trlgG= -0.293924 logG= -0.029458 TDE= -0.171234 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212967 ETOT(band)= -0.234280 trlgG= -0.295256 logG= -0.029407 TDE= -0.170875 logGD-logG0= -0.012043 tlogG= -0.047819 logG= -0.059861 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324606 ETOT(band)= -0.349943 trlgG= -0.443599 logG= -0.059861 TDE= -0.343121 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006138 tlogG= -0.024139 logG= -0.030277 Density= 0.215891 ETOT(band)= -0.234029 trlgG= -0.296965 logG= -0.030277 TDE= -0.171656 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005904 tlogG= -0.023858 logG= -0.029762 Density= 0.215665 ETOT(band)= -0.233774 trlgG= -0.296005 logG= -0.029762 TDE= -0.171159 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001392 tlogG= -0.005175 logG= -0.006566 logGD-logG0= -0.005998 tlogG= -0.022983 logG= -0.028982 Density= 0.062583 ETOT(band)= -0.067551 trlgG= -0.084722 logG= -0.006566 TDE= -0.042370 Density= 0.216379 ETOT(band)= -0.232105 trlgG= -0.292308 logG= -0.028982 TDE= -0.170946 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005875 tlogG= -0.024176 logG= -0.030051 logGD-logG0= -0.006076 tlogG= -0.024097 logG= -0.030173 Density= 0.322696 ETOT(band)= -0.351241 trlgG= -0.444624 logG= -0.030051 TDE= -0.171276 Density= 0.323319 ETOT(band)= -0.351215 trlgG= -0.445264 logG= -0.030173 TDE= -0.171470 logGD-logG0= -0.005999 tlogG= -0.023973 logG= -0.029972 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216560 ETOT(band)= -0.233256 trlgG= -0.295832 logG= -0.029972 TDE= -0.171614 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011339 tlogG= -0.046632 logG= -0.057971 Density= 0.322935 ETOT(band)= -0.349042 trlgG= -0.439008 logG= -0.057971 TDE= -0.341699 logGD-logG0= -0.012092 tlogG= -0.047267 logG= -0.059359 Density= 0.324381 ETOT(band)= -0.349575 trlgG= -0.442256 logG= -0.059359 TDE= -0.342729 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011820 tlogG= -0.045654 logG= -0.057474 Density= 0.324271 ETOT(band)= -0.347979 trlgG= -0.437552 logG= -0.057474 TDE= -0.341546 logGD-logG0= -0.006020 tlogG= -0.023778 logG= -0.029798 Density= 0.216446 ETOT(band)= -0.233057 trlgG= -0.295130 logG= -0.029798 TDE= -0.171473 logGD-logG0= -0.001855 tlogG= -0.006879 logG= -0.008733 Density= 0.040874 ETOT(band)= -0.042680 trlgG= -0.053121 logG= -0.008733 TDE= -0.056477 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005514 tlogG= -0.023381 logG= -0.028895 logGD-logG0= -0.005278 tlogG= -0.023752 logG= -0.029031 Density= 0.213238 ETOT(band)= -0.233599 trlgG= -0.293533 logG= -0.029031 TDE= -0.170824 Density= 0.321870 ETOT(band)= -0.350082 trlgG= -0.441386 logG= -0.028895 TDE= -0.170945 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012338 tlogG= -0.048070 logG= -0.060408 logGD-logG0= -0.005850 tlogG= -0.024171 logG= -0.030021 Density= 0.214910 ETOT(band)= -0.234179 trlgG= -0.296269 logG= -0.030021 TDE= -0.171281 Density= 0.323504 ETOT(band)= -0.351008 trlgG= -0.444959 logG= -0.060408 TDE= -0.343116 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006003 tlogG= -0.023206 logG= -0.029208 logGD-logG0= -0.005912 tlogG= -0.023971 logG= -0.029883 Density= 0.214507 ETOT(band)= -0.234106 trlgG= -0.295661 logG= -0.029883 TDE= -0.171108 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215023 ETOT(band)= -0.232971 trlgG= -0.292961 logG= -0.029208 TDE= -0.170665 logGD-logG0= -0.005758 tlogG= -0.023893 logG= -0.029651 Density= 0.213950 ETOT(band)= -0.234019 trlgG= -0.294761 logG= -0.029651 TDE= -0.170838 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005574 tlogG= -0.024021 logG= -0.029595 Density= 0.214284 ETOT(band)= -0.234097 trlgG= -0.295882 logG= -0.029595 TDE= -0.171275 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012089 tlogG= -0.046446 logG= -0.058535 logGD-logG0= -0.005446 tlogG= -0.023902 logG= -0.029348 logGD-logG0= -0.005854 tlogG= -0.023257 logG= -0.029112 Density= 0.324235 ETOT(band)= -0.348919 trlgG= -0.440172 logG= -0.058535 TDE= -0.342171 Density= 0.321946 ETOT(band)= -0.350585 trlgG= -0.442232 logG= -0.029112 TDE= -0.170900 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006173 tlogG= -0.023974 logG= -0.030147 Density= 0.323920 ETOT(band)= -0.350684 trlgG= -0.444697 logG= -0.030147 TDE= -0.171528 Density= 0.213438 ETOT(band)= -0.233873 trlgG= -0.294255 logG= -0.029348 TDE= -0.170827 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005484 tlogG= -0.023385 logG= -0.028869 Density= 0.214338 ETOT(band)= -0.233388 trlgG= -0.294091 logG= -0.028869 TDE= -0.170953 logGD-logG0= -0.005618 tlogG= -0.023259 logG= -0.028877 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213653 ETOT(band)= -0.233628 trlgG= -0.293988 logG= -0.028877 TDE= -0.170790 logGD-logG0= -0.006189 tlogG= -0.023915 logG= -0.030104 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215817 ETOT(band)= -0.233776 trlgG= -0.296280 logG= -0.030104 TDE= -0.171480 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010650 tlogG= -0.048120 logG= -0.058770 Density= 0.425847 ETOT(band)= -0.468360 trlgG= -0.590002 logG= -0.058770 TDE= -0.341867 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005672 tlogG= -0.023851 logG= -0.029523 logGD-logG0= -0.005731 tlogG= -0.021315 logG= -0.027046 Density= 0.213734 ETOT(band)= -0.234157 trlgG= -0.295501 logG= -0.029523 TDE= -0.171094 Density= 0.162762 ETOT(band)= -0.173007 trlgG= -0.217212 logG= -0.027046 TDE= -0.169925 logGD-logG0= -0.011127 tlogG= -0.046737 logG= -0.057864 Density= 0.428194 ETOT(band)= -0.466162 trlgG= -0.585359 logG= -0.057864 TDE= -0.341310 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.006239 tlogG= -0.023701 logG= -0.029939 Density= 0.215576 ETOT(band)= -0.233627 trlgG= -0.295587 logG= -0.029939 TDE= -0.171303 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011808 tlogG= -0.048176 logG= -0.059984 Density= 0.429638 ETOT(band)= -0.468291 trlgG= -0.592102 logG= -0.059984 TDE= -0.342402 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011926 tlogG= -0.047695 logG= -0.059621 logGD-logG0= -0.012312 tlogG= -0.047754 logG= -0.060066 Density= 0.431089 ETOT(band)= -0.467555 trlgG= -0.591809 logG= -0.060066 TDE= -0.342762 Density= 0.428621 ETOT(band)= -0.468160 trlgG= -0.590678 logG= -0.059621 TDE= -0.341997 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011976 tlogG= -0.047984 logG= -0.059960 logGD-logG0= -0.012145 tlogG= -0.048097 logG= -0.060241 Density= 0.430482 ETOT(band)= -0.468128 trlgG= -0.592531 logG= -0.060241 TDE= -0.342746 logGD-logG0= -0.011594 tlogG= -0.046428 logG= -0.058022 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011310 tlogG= -0.047868 logG= -0.059177 Density= 0.429836 ETOT(band)= -0.465594 trlgG= -0.585003 logG= -0.058022 TDE= -0.341420 logGD-logG0= -0.012405 tlogG= -0.047726 logG= -0.060131 Density= 0.431433 ETOT(band)= -0.467500 trlgG= -0.592162 logG= -0.060131 TDE= -0.342868 Density= 0.429540 ETOT(band)= -0.468252 trlgG= -0.591751 logG= -0.059960 TDE= -0.342245 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011936 tlogG= -0.048248 logG= -0.060184 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428363 ETOT(band)= -0.468177 trlgG= -0.591351 logG= -0.059177 TDE= -0.342356 logGD-logG0= -0.011333 tlogG= -0.047672 logG= -0.059005 Density= 0.426993 ETOT(band)= -0.468387 trlgG= -0.590506 logG= -0.059005 TDE= -0.341888 Density= 0.430377 ETOT(band)= -0.468298 trlgG= -0.592860 logG= -0.060184 TDE= -0.342620 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011167 tlogG= -0.046635 logG= -0.057802 logGD-logG0= -0.011286 tlogG= -0.047792 logG= -0.059078 Density= 0.428407 ETOT(band)= -0.466880 trlgG= -0.587961 logG= -0.057802 TDE= -0.341725 Density= 0.427495 ETOT(band)= -0.467939 trlgG= -0.589348 logG= -0.059078 TDE= -0.341590 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012325 tlogG= -0.048052 logG= -0.060377 Density= 0.431676 ETOT(band)= -0.467784 trlgG= -0.593149 logG= -0.060377 TDE= -0.343133 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011479 tlogG= -0.047881 logG= -0.059360 logGD-logG0= -0.011665 tlogG= -0.047587 logG= -0.059252 Density= 0.428929 ETOT(band)= -0.467508 trlgG= -0.589713 logG= -0.059252 TDE= -0.342041 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011978 tlogG= -0.046957 logG= -0.058935 Density= 0.429466 ETOT(band)= -0.467956 trlgG= -0.591304 logG= -0.059360 TDE= -0.342342 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430198 ETOT(band)= -0.466505 trlgG= -0.587699 logG= -0.058935 TDE= -0.341713 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012374 tlogG= -0.047294 logG= -0.059668 Density= 0.430813 ETOT(band)= -0.467131 trlgG= -0.590343 logG= -0.059668 TDE= -0.342378 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011901 tlogG= -0.047596 logG= -0.059497 Density= 0.430336 ETOT(band)= -0.467150 trlgG= -0.589628 logG= -0.059497 TDE= -0.342158 logGD-logG0= -0.001431 tlogG= -0.005472 logG= -0.006903 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081254 ETOT(band)= -0.086365 trlgG= -0.108022 logG= -0.006903 TDE= -0.042583 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001411 tlogG= -0.005311 logG= -0.006721 Density= 0.081611 ETOT(band)= -0.085700 trlgG= -0.106859 logG= -0.006721 TDE= -0.042472 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011609 tlogG= -0.044648 logG= -0.056257 Density= 0.324506 ETOT(band)= -0.346713 trlgG= -0.434554 logG= -0.056257 TDE= -0.340868 logGD-logG0= -0.005665 tlogG= -0.022341 logG= -0.028006 Density= 0.323095 ETOT(band)= -0.348014 trlgG= -0.436629 logG= -0.028006 TDE= -0.170293 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.006267 tlogG= -0.023367 logG= -0.029633 Density= 0.215270 ETOT(band)= -0.233369 trlgG= -0.294452 logG= -0.029633 TDE= -0.171009 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005625 tlogG= -0.022341 logG= -0.027965 Density= 0.215175 ETOT(band)= -0.231975 trlgG= -0.290839 logG= -0.027965 TDE= -0.170298 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005908 tlogG= -0.021894 logG= -0.027802 Density= 0.216772 ETOT(band)= -0.230313 trlgG= -0.288225 logG= -0.027802 TDE= -0.170271 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005814 tlogG= -0.021365 logG= -0.027179 Density= 0.217161 ETOT(band)= -0.229211 trlgG= -0.286014 logG= -0.027179 TDE= -0.169938 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011479 tlogG= -0.044652 logG= -0.056131 Density= 0.431898 ETOT(band)= -0.462133 trlgG= -0.578229 logG= -0.056131 TDE= -0.340505 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.842810254417 eV TrLogG= -409.805974754045 eV Ratio to renormalize= 0.999283689127 rho-rho_expected= 0.015770135518 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964721049687540 0.940539794443053 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.003020 tlogG= -0.012038 logG= -0.015058 Density= 0.053804 ETOT(band)= -0.058533 trlgG= -0.074112 logG= -0.015058 TDE= -0.085679 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002840 tlogG= -0.012088 logG= -0.014928 Density= 0.053624 ETOT(band)= -0.058544 trlgG= -0.074057 logG= -0.014928 TDE= -0.085665 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005947 tlogG= -0.023884 logG= -0.029832 Density= 0.108332 ETOT(band)= -0.116555 trlgG= -0.147794 logG= -0.029832 TDE= -0.171570 logGD-logG0= -0.005950 tlogG= -0.023618 logG= -0.029568 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108284 ETOT(band)= -0.116428 trlgG= -0.147375 logG= -0.029568 TDE= -0.171390 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006066 tlogG= -0.023978 logG= -0.030044 Density= 0.107526 ETOT(band)= -0.117053 trlgG= -0.148097 logG= -0.030044 TDE= -0.171263 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006102 tlogG= -0.023884 logG= -0.029985 Density= 0.107999 ETOT(band)= -0.116804 trlgG= -0.148042 logG= -0.029985 TDE= -0.171500 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011499 tlogG= -0.047173 logG= -0.058672 Density= 0.213933 ETOT(band)= -0.233781 trlgG= -0.294343 logG= -0.058672 TDE= -0.341536 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005821 tlogG= -0.021887 logG= -0.027707 Density= 0.108395 ETOT(band)= -0.115250 trlgG= -0.144363 logG= -0.027707 TDE= -0.170295 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002750 tlogG= -0.011453 logG= -0.014203 Density= 0.053773 ETOT(band)= -0.058071 trlgG= -0.072930 logG= -0.014203 TDE= -0.085336 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002745 tlogG= -0.011889 logG= -0.014634 Density= 0.053600 ETOT(band)= -0.058400 trlgG= -0.073696 logG= -0.014634 TDE= -0.085586 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.024055 logG= -0.029451 Density= 0.106466 ETOT(band)= -0.117148 trlgG= -0.147667 logG= -0.029451 TDE= -0.170901 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005919 tlogG= -0.023228 logG= -0.029147 Density= 0.108271 ETOT(band)= -0.116205 trlgG= -0.146711 logG= -0.029147 TDE= -0.171142 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005528 tlogG= -0.023678 logG= -0.029206 Density= 0.106674 ETOT(band)= -0.116956 trlgG= -0.147250 logG= -0.029206 TDE= -0.170832 logGD-logG0= -0.005942 tlogG= -0.022885 logG= -0.028828 Density= 0.107690 ETOT(band)= -0.116298 trlgG= -0.146193 logG= -0.028828 TDE= -0.170655 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005751 tlogG= -0.023901 logG= -0.029652 Density= 0.106836 ETOT(band)= -0.117110 trlgG= -0.147774 logG= -0.029652 TDE= -0.170990 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006135 tlogG= -0.023206 logG= -0.029341 Density= 0.107761 ETOT(band)= -0.116545 trlgG= -0.147001 logG= -0.029341 TDE= -0.170986 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 Density= 0.004546 ETOT(band)= -0.004733 trlgG= -0.005888 logG= -0.001083 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001769 tlogG= -0.007815 logG= -0.009583 Density= 0.035517 ETOT(band)= -0.038924 trlgG= -0.048898 logG= -0.009583 TDE= -0.056890 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.008048 logG= -0.009738 Density= 0.035338 ETOT(band)= -0.039075 trlgG= -0.049265 logG= -0.009738 TDE= -0.057013 logGD-logG0= -0.005960 tlogG= -0.023963 logG= -0.029924 Density= 0.108312 ETOT(band)= -0.116619 trlgG= -0.147943 logG= -0.029924 TDE= -0.171618 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002970 tlogG= -0.011990 logG= -0.014960 logGD-logG0= -0.005857 tlogG= -0.022469 logG= -0.028326 Density= 0.108275 ETOT(band)= -0.115740 trlgG= -0.145408 logG= -0.028326 TDE= -0.170663 Density= 0.054179 ETOT(band)= -0.058298 trlgG= -0.073969 logG= -0.014960 TDE= -0.085819 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005974 tlogG= -0.023777 logG= -0.029751 Density= 0.108260 ETOT(band)= -0.116544 trlgG= -0.147666 logG= -0.029751 TDE= -0.171488 logGD-logG0= -0.005969 tlogG= -0.023443 logG= -0.029412 Density= 0.108210 ETOT(band)= -0.116382 trlgG= -0.147131 logG= -0.029412 TDE= -0.171266 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003041 tlogG= -0.011994 logG= -0.015035 Density= 0.054025 ETOT(band)= -0.058418 trlgG= -0.074092 logG= -0.015035 TDE= -0.085791 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.023985 logG= -0.029186 Density= 0.106245 ETOT(band)= -0.117117 trlgG= -0.147550 logG= -0.029186 TDE= -0.170939 logGD-logG0= -0.005772 tlogG= -0.022181 logG= -0.027953 Density= 0.108429 ETOT(band)= -0.115435 trlgG= -0.144799 logG= -0.027953 TDE= -0.170502 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006115 tlogG= -0.024101 logG= -0.030216 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107971 ETOT(band)= -0.116977 trlgG= -0.148427 logG= -0.030216 TDE= -0.171640 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006144 tlogG= -0.023912 logG= -0.030056 Density= 0.107834 ETOT(band)= -0.116934 trlgG= -0.148150 logG= -0.030056 TDE= -0.171456 logGD-logG0= -0.005851 tlogG= -0.022746 logG= -0.028597 logGD-logG0= -0.005693 tlogG= -0.022860 logG= -0.028553 logGD-logG0= -0.006148 tlogG= -0.024147 logG= -0.030295 Density= 0.107820 ETOT(band)= -0.116095 trlgG= -0.145779 logG= -0.028553 TDE= -0.170581 Density= 0.108322 ETOT(band)= -0.115876 trlgG= -0.145843 logG= -0.028597 TDE= -0.170849 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005467 tlogG= -0.023215 logG= -0.028683 Density= 0.106809 ETOT(band)= -0.116620 trlgG= -0.146335 logG= -0.028683 TDE= -0.170507 Density= 0.107894 ETOT(band)= -0.117064 trlgG= -0.148553 logG= -0.030295 TDE= -0.171649 logGD-logG0= -0.005666 tlogG= -0.023699 logG= -0.029366 logGD-logG0= -0.006125 tlogG= -0.023695 logG= -0.029820 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107456 ETOT(band)= -0.116722 trlgG= -0.147252 logG= -0.029366 TDE= -0.171061 Density= 0.107312 ETOT(band)= -0.117000 trlgG= -0.147705 logG= -0.029820 TDE= -0.170989 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005552 tlogG= -0.022999 logG= -0.028552 Density= 0.106944 ETOT(band)= -0.116490 trlgG= -0.146072 logG= -0.028552 TDE= -0.170442 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005926 tlogG= -0.022995 logG= -0.028921 Density= 0.108210 ETOT(band)= -0.116112 trlgG= -0.146356 logG= -0.028921 TDE= -0.170983 logGD-logG0= -0.006113 tlogG= -0.024081 logG= -0.030194 logGD-logG0= -0.005579 tlogG= -0.023509 logG= -0.029088 Density= 0.106849 ETOT(band)= -0.116810 trlgG= -0.146816 logG= -0.029088 TDE= -0.170602 logGD-logG0= -0.005843 tlogG= -0.022419 logG= -0.028262 Density= 0.107706 ETOT(band)= -0.115966 trlgG= -0.145298 logG= -0.028262 TDE= -0.170334 Density= 0.107726 ETOT(band)= -0.117068 trlgG= -0.148367 logG= -0.030194 TDE= -0.171481 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005842 tlogG= -0.023651 logG= -0.029493 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107057 ETOT(band)= -0.116928 trlgG= -0.147159 logG= -0.029493 TDE= -0.170642 logGD-logG0= -0.005831 tlogG= -0.024104 logG= -0.029934 logGD-logG0= -0.005722 tlogG= -0.024081 logG= -0.029802 Density= 0.107461 ETOT(band)= -0.117031 trlgG= -0.147992 logG= -0.029934 TDE= -0.171235 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107136 ETOT(band)= -0.117092 trlgG= -0.148024 logG= -0.029802 TDE= -0.171238 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005550 tlogG= -0.023698 logG= -0.029248 Density= 0.107052 ETOT(band)= -0.116840 trlgG= -0.147350 logG= -0.029248 TDE= -0.171077 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005577 tlogG= -0.022863 logG= -0.028441 Density= 0.107369 ETOT(band)= -0.116238 trlgG= -0.145914 logG= -0.028441 TDE= -0.170605 logGD-logG0= -0.010807 tlogG= -0.047651 logG= -0.058458 logGD-logG0= -0.006089 tlogG= -0.024072 logG= -0.030161 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213078 ETOT(band)= -0.234034 trlgG= -0.294635 logG= -0.058458 TDE= -0.341619 logGD-logG0= -0.011462 tlogG= -0.048267 logG= -0.059729 Density= 0.108030 ETOT(band)= -0.116910 trlgG= -0.148337 logG= -0.030161 TDE= -0.171635 Density= 0.214563 ETOT(band)= -0.234143 trlgG= -0.296118 logG= -0.059729 TDE= -0.342566 logGD-logG0= -0.006141 tlogG= -0.023593 logG= -0.029734 logGD-logG0= -0.011138 tlogG= -0.045783 logG= -0.056921 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215163 ETOT(band)= -0.232311 trlgG= -0.291723 logG= -0.056921 TDE= -0.341275 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107881 ETOT(band)= -0.116707 trlgG= -0.147629 logG= -0.029734 TDE= -0.171280 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011425 tlogG= -0.045614 logG= -0.057039 logGD-logG0= -0.011613 tlogG= -0.047924 logG= -0.059537 logGD-logG0= -0.011518 tlogG= -0.045672 logG= -0.057190 Density= 0.214130 ETOT(band)= -0.234180 trlgG= -0.295813 logG= -0.059537 TDE= -0.342238 Density= 0.214509 ETOT(band)= -0.232659 trlgG= -0.291909 logG= -0.057039 TDE= -0.341020 logGD-logG0= -0.011334 tlogG= -0.047183 logG= -0.058517 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011234 tlogG= -0.047949 logG= -0.059183 Density= 0.213920 ETOT(band)= -0.233737 trlgG= -0.294554 logG= -0.058517 TDE= -0.341895 Density= 0.215296 ETOT(band)= -0.232386 trlgG= -0.291708 logG= -0.057190 TDE= -0.341058 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213431 ETOT(band)= -0.234242 trlgG= -0.295275 logG= -0.059183 TDE= -0.341708 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012180 tlogG= -0.047769 logG= -0.059949 Density= 0.214922 ETOT(band)= -0.234068 trlgG= -0.295949 logG= -0.059949 TDE= -0.342354 logGD-logG0= -0.011101 tlogG= -0.047471 logG= -0.058572 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214465 ETOT(band)= -0.233570 trlgG= -0.294677 logG= -0.058572 TDE= -0.342233 logGD-logG0= -0.001969 tlogG= -0.007308 logG= -0.009277 Density= 0.035867 ETOT(band)= -0.038577 trlgG= -0.048197 logG= -0.009277 TDE= -0.056669 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011833 tlogG= -0.046434 logG= -0.058267 Density= 0.215369 ETOT(band)= -0.232946 trlgG= -0.293341 logG= -0.058267 TDE= -0.341650 logGD-logG0= -0.012319 tlogG= -0.048167 logG= -0.060486 logGD-logG0= -0.011979 tlogG= -0.048001 logG= -0.059981 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012045 tlogG= -0.047809 logG= -0.059854 Density= 0.215591 ETOT(band)= -0.234141 trlgG= -0.296912 logG= -0.060486 TDE= -0.343111 Density= 0.215238 ETOT(band)= -0.233978 trlgG= -0.296039 logG= -0.059981 TDE= -0.342569 Density= 0.214820 ETOT(band)= -0.234061 trlgG= -0.295782 logG= -0.059854 TDE= -0.342231 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002815 tlogG= -0.010432 logG= -0.013247 Density= 0.054412 ETOT(band)= -0.057077 trlgG= -0.071121 logG= -0.013247 TDE= -0.084800 logGD-logG0= -0.001899 tlogG= -0.006995 logG= -0.008895 Density= 0.036218 ETOT(band)= -0.038130 trlgG= -0.047533 logG= -0.008895 TDE= -0.056561 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012080 tlogG= -0.047328 logG= -0.059408 logGD-logG0= -0.011730 tlogG= -0.048052 logG= -0.059781 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214423 ETOT(band)= -0.233961 trlgG= -0.295037 logG= -0.059408 TDE= -0.341736 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012178 tlogG= -0.047969 logG= -0.060146 Density= 0.214695 ETOT(band)= -0.234090 trlgG= -0.295864 logG= -0.059781 TDE= -0.342324 Density= 0.216065 ETOT(band)= -0.233691 trlgG= -0.296376 logG= -0.060146 TDE= -0.343149 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012273 tlogG= -0.046900 logG= -0.059173 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012231 tlogG= -0.047442 logG= -0.059673 Density= 0.215590 ETOT(band)= -0.233336 trlgG= -0.294782 logG= -0.059173 TDE= -0.342294 logGD-logG0= -0.011855 tlogG= -0.047681 logG= -0.059537 Density= 0.214111 ETOT(band)= -0.234167 trlgG= -0.295565 logG= -0.059537 TDE= -0.341980 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012233 tlogG= -0.047917 logG= -0.060151 logGD-logG0= -0.011453 tlogG= -0.047247 logG= -0.058701 Density= 0.214633 ETOT(band)= -0.233531 trlgG= -0.294446 logG= -0.058701 TDE= -0.341956 Density= 0.215936 ETOT(band)= -0.233763 trlgG= -0.296380 logG= -0.060151 TDE= -0.343084 logGD-logG0= -0.012255 tlogG= -0.047556 logG= -0.059811 logGD-logG0= -0.011748 tlogG= -0.047174 logG= -0.058922 Density= 0.215309 ETOT(band)= -0.233346 trlgG= -0.294360 logG= -0.058922 TDE= -0.341985 Density= 0.215866 ETOT(band)= -0.233574 trlgG= -0.295818 logG= -0.059811 TDE= -0.342828 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215632 ETOT(band)= -0.233613 trlgG= -0.295581 logG= -0.059673 TDE= -0.342614 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012211 tlogG= -0.048037 logG= -0.060248 Density= 0.215274 ETOT(band)= -0.234114 trlgG= -0.296481 logG= -0.060248 TDE= -0.342761 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002878 tlogG= -0.010846 logG= -0.013725 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054098 ETOT(band)= -0.057593 trlgG= -0.071970 logG= -0.013725 TDE= -0.085015 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005732 tlogG= -0.021576 logG= -0.027308 Density= 0.108583 ETOT(band)= -0.114886 trlgG= -0.143681 logG= -0.027308 TDE= -0.170105 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012131 tlogG= -0.048103 logG= -0.060234 Density= 0.215238 ETOT(band)= -0.234123 trlgG= -0.296454 logG= -0.060234 TDE= -0.342731 logGD-logG0= -0.005648 tlogG= -0.021000 logG= -0.026648 Density= 0.108777 ETOT(band)= -0.114301 trlgG= -0.142521 logG= -0.026648 TDE= -0.169701 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005903 tlogG= -0.021829 logG= -0.027732 Density= 0.107859 ETOT(band)= -0.115539 trlgG= -0.144427 logG= -0.027732 TDE= -0.170069 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005175 tlogG= -0.024062 logG= -0.029237 Density= 0.106193 ETOT(band)= -0.117160 trlgG= -0.147664 logG= -0.029237 TDE= -0.170977 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005842 tlogG= -0.021706 logG= -0.027547 Density= 0.108001 ETOT(band)= -0.115348 trlgG= -0.144116 logG= -0.027547 TDE= -0.170013 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011678 tlogG= -0.043411 logG= -0.055089 Density= 0.216417 ETOT(band)= -0.230485 trlgG= -0.288206 logG= -0.055089 TDE= -0.340211 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001482 tlogG= -0.005942 logG= -0.007424 Density= 0.080894 ETOT(band)= -0.087649 trlgG= -0.111006 logG= -0.007424 TDE= -0.042876 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001477 tlogG= -0.005859 logG= -0.007336 Density= 0.080709 ETOT(band)= -0.087614 trlgG= -0.110811 logG= -0.007336 TDE= -0.042821 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006021 tlogG= -0.023775 logG= -0.029796 Density= 0.216442 ETOT(band)= -0.233046 trlgG= -0.295114 logG= -0.029796 TDE= -0.171465 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005851 tlogG= -0.024168 logG= -0.030019 Density= 0.214907 ETOT(band)= -0.234168 trlgG= -0.296253 logG= -0.030019 TDE= -0.171274 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006000 tlogG= -0.023970 logG= -0.029970 Density= 0.216556 ETOT(band)= -0.233245 trlgG= -0.295816 logG= -0.029970 TDE= -0.171606 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006190 tlogG= -0.023912 logG= -0.030102 Density= 0.215813 ETOT(band)= -0.233765 trlgG= -0.296264 logG= -0.030102 TDE= -0.171472 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011287 tlogG= -0.047788 logG= -0.059074 Density= 0.427489 ETOT(band)= -0.467915 trlgG= -0.589315 logG= -0.059074 TDE= -0.341575 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011611 tlogG= -0.044643 logG= -0.056254 Density= 0.324501 ETOT(band)= -0.346696 trlgG= -0.434530 logG= -0.056254 TDE= -0.340853 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001441 tlogG= -0.005622 logG= -0.007063 Density= 0.080892 ETOT(band)= -0.086972 trlgG= -0.109252 logG= -0.007063 TDE= -0.042679 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001462 tlogG= -0.005751 logG= -0.007213 Density= 0.080693 ETOT(band)= -0.087399 trlgG= -0.110257 logG= -0.007213 TDE= -0.042756 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006028 tlogG= -0.023428 logG= -0.029456 Density= 0.216355 ETOT(band)= -0.232666 trlgG= -0.293908 logG= -0.029456 TDE= -0.171226 logGD-logG0= -0.005423 tlogG= -0.023982 logG= -0.029405 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212964 ETOT(band)= -0.234268 trlgG= -0.295239 logG= -0.029405 TDE= -0.170868 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005619 tlogG= -0.023256 logG= -0.028875 Density= 0.213650 ETOT(band)= -0.233616 trlgG= -0.293971 logG= -0.028875 TDE= -0.170782 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006003 tlogG= -0.023204 logG= -0.029207 Density= 0.215020 ETOT(band)= -0.232959 trlgG= -0.292944 logG= -0.029207 TDE= -0.170657 logGD-logG0= -0.006267 tlogG= -0.023364 logG= -0.029632 Density= 0.215266 ETOT(band)= -0.233358 trlgG= -0.294436 logG= -0.029632 TDE= -0.171001 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005673 tlogG= -0.023848 logG= -0.029521 Density= 0.213731 ETOT(band)= -0.234146 trlgG= -0.295484 logG= -0.029521 TDE= -0.171087 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001716 tlogG= -0.007969 logG= -0.009685 Density= 0.070916 ETOT(band)= -0.077950 trlgG= -0.098040 logG= -0.009685 TDE= -0.056975 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023597 logG= -0.028929 Density= 0.212769 ETOT(band)= -0.233992 trlgG= -0.294498 logG= -0.028929 TDE= -0.170732 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001480 tlogG= -0.005987 logG= -0.007467 Density= 0.081124 ETOT(band)= -0.087554 trlgG= -0.111055 logG= -0.007467 TDE= -0.042906 logGD-logG0= -0.005279 tlogG= -0.023750 logG= -0.029029 Density= 0.213235 ETOT(band)= -0.233587 trlgG= -0.293516 logG= -0.029029 TDE= -0.170817 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001855 tlogG= -0.006878 logG= -0.008733 Density= 0.040873 ETOT(band)= -0.042678 trlgG= -0.053118 logG= -0.008733 TDE= -0.056475 logGD-logG0= -0.005446 tlogG= -0.023900 logG= -0.029346 Density= 0.213435 ETOT(band)= -0.233861 trlgG= -0.294238 logG= -0.029346 TDE= -0.170820 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001392 tlogG= -0.005174 logG= -0.006566 Density= 0.062583 ETOT(band)= -0.067547 trlgG= -0.084717 logG= -0.006566 TDE= -0.042368 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005801 tlogG= -0.022915 logG= -0.028716 logGD-logG0= -0.001852 tlogG= -0.007592 logG= -0.009443 Density= 0.071544 ETOT(band)= -0.077351 trlgG= -0.096735 logG= -0.009443 TDE= -0.056750 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214943 ETOT(band)= -0.232408 trlgG= -0.291416 logG= -0.028716 TDE= -0.170469 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006045 tlogG= -0.024015 logG= -0.030059 Density= 0.215854 ETOT(band)= -0.233862 trlgG= -0.296535 logG= -0.030059 TDE= -0.171616 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006078 tlogG= -0.023492 logG= -0.029571 logGD-logG0= -0.006007 tlogG= -0.024013 logG= -0.030020 Density= 0.216523 ETOT(band)= -0.233349 trlgG= -0.296048 logG= -0.030020 TDE= -0.171633 logGD-logG0= -0.006080 tlogG= -0.023813 logG= -0.029893 Density= 0.215499 ETOT(band)= -0.233767 trlgG= -0.295885 logG= -0.029893 TDE= -0.171463 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215373 ETOT(band)= -0.233332 trlgG= -0.294626 logG= -0.029571 TDE= -0.171206 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005606 tlogG= -0.024017 logG= -0.029624 logGD-logG0= -0.005905 tlogG= -0.023855 logG= -0.029760 Density= 0.321808 ETOT(band)= -0.351108 trlgG= -0.443935 logG= -0.029624 TDE= -0.171263 Density= 0.215661 ETOT(band)= -0.233763 trlgG= -0.295988 logG= -0.029760 TDE= -0.171152 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006139 tlogG= -0.024136 logG= -0.030275 Density= 0.215887 ETOT(band)= -0.234018 trlgG= -0.296948 logG= -0.030275 TDE= -0.171649 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001411 tlogG= -0.005310 logG= -0.006721 Density= 0.081609 ETOT(band)= -0.085696 trlgG= -0.106853 logG= -0.006721 TDE= -0.042470 logGD-logG0= -0.012046 tlogG= -0.047813 logG= -0.059858 Density= 0.324600 ETOT(band)= -0.349927 trlgG= -0.443575 logG= -0.059858 TDE= -0.343107 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011821 tlogG= -0.045650 logG= -0.057471 Density= 0.324265 ETOT(band)= -0.347962 trlgG= -0.437528 logG= -0.057471 TDE= -0.341532 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010651 tlogG= -0.048116 logG= -0.058766 Density= 0.425841 ETOT(band)= -0.468336 trlgG= -0.589969 logG= -0.058766 TDE= -0.341853 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006240 tlogG= -0.023698 logG= -0.029938 logGD-logG0= -0.005938 tlogG= -0.022451 logG= -0.028388 Density= 0.215572 ETOT(band)= -0.233616 trlgG= -0.295571 logG= -0.029938 TDE= -0.171295 logGD-logG0= -0.005912 tlogG= -0.023968 logG= -0.029881 Density= 0.214503 ETOT(band)= -0.234094 trlgG= -0.295644 logG= -0.029881 TDE= -0.171101 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216513 ETOT(band)= -0.231299 trlgG= -0.290306 logG= -0.028388 TDE= -0.170604 logGD-logG0= -0.011128 tlogG= -0.046732 logG= -0.057860 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012340 tlogG= -0.048064 logG= -0.060405 Density= 0.323498 ETOT(band)= -0.350991 trlgG= -0.444934 logG= -0.060405 TDE= -0.343101 Density= 0.428187 ETOT(band)= -0.466139 trlgG= -0.585326 logG= -0.057860 TDE= -0.341295 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012094 tlogG= -0.047262 logG= -0.059356 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005999 tlogG= -0.022981 logG= -0.028980 Density= 0.216375 ETOT(band)= -0.232094 trlgG= -0.292292 logG= -0.028980 TDE= -0.170939 Density= 0.324375 ETOT(band)= -0.349559 trlgG= -0.442232 logG= -0.059356 TDE= -0.342714 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006077 tlogG= -0.024094 logG= -0.030171 Density= 0.323313 ETOT(band)= -0.351198 trlgG= -0.445239 logG= -0.030171 TDE= -0.171463 logGD-logG0= -0.011595 tlogG= -0.046423 logG= -0.058018 logGD-logG0= -0.011340 tlogG= -0.046627 logG= -0.057967 logGD-logG0= -0.005515 tlogG= -0.023379 logG= -0.028894 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429829 ETOT(band)= -0.465571 trlgG= -0.584971 logG= -0.058018 TDE= -0.341405 Density= 0.322930 ETOT(band)= -0.349025 trlgG= -0.438984 logG= -0.057967 TDE= -0.341684 Density= 0.321865 ETOT(band)= -0.350065 trlgG= -0.441361 logG= -0.028894 TDE= -0.170938 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011333 tlogG= -0.047668 logG= -0.059002 Density= 0.426987 ETOT(band)= -0.468363 trlgG= -0.590472 logG= -0.059002 TDE= -0.341873 logGD-logG0= -0.005758 tlogG= -0.023891 logG= -0.029649 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213947 ETOT(band)= -0.234008 trlgG= -0.294744 logG= -0.029649 TDE= -0.170831 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005575 tlogG= -0.024018 logG= -0.029593 Density= 0.214280 ETOT(band)= -0.234085 trlgG= -0.295865 logG= -0.029593 TDE= -0.171268 logGD-logG0= -0.005732 tlogG= -0.021313 logG= -0.027044 Density= 0.162759 ETOT(band)= -0.172999 trlgG= -0.217200 logG= -0.027044 TDE= -0.169918 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001968 tlogG= -0.007121 logG= -0.009089 Density= 0.072275 ETOT(band)= -0.076487 trlgG= -0.095415 logG= -0.009089 TDE= -0.056635 logGD-logG0= -0.005781 tlogG= -0.022304 logG= -0.028085 Density= 0.214405 ETOT(band)= -0.232449 trlgG= -0.291185 logG= -0.028085 TDE= -0.170205 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005855 tlogG= -0.023255 logG= -0.029110 Density= 0.321941 ETOT(band)= -0.350568 trlgG= -0.442207 logG= -0.029110 TDE= -0.170893 logGD-logG0= -0.006174 tlogG= -0.023971 logG= -0.030145 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323913 ETOT(band)= -0.350668 trlgG= -0.444673 logG= -0.030145 TDE= -0.171521 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005485 tlogG= -0.023382 logG= -0.028867 Density= 0.214335 ETOT(band)= -0.233376 trlgG= -0.294074 logG= -0.028867 TDE= -0.170946 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011311 tlogG= -0.047863 logG= -0.059174 Density= 0.428356 ETOT(band)= -0.468154 trlgG= -0.591318 logG= -0.059174 TDE= -0.342341 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005751 tlogG= -0.022483 logG= -0.028234 Density= 0.215165 ETOT(band)= -0.231676 trlgG= -0.289779 logG= -0.028234 TDE= -0.170218 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005875 tlogG= -0.024173 logG= -0.030049 Density= 0.322690 ETOT(band)= -0.351224 trlgG= -0.444599 logG= -0.030049 TDE= -0.171269 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012091 tlogG= -0.046440 logG= -0.058532 Density= 0.324229 ETOT(band)= -0.348903 trlgG= -0.440148 logG= -0.058532 TDE= -0.342157 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011809 tlogG= -0.048171 logG= -0.059980 Density= 0.429630 ETOT(band)= -0.468269 trlgG= -0.592068 logG= -0.059980 TDE= -0.342387 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011927 tlogG= -0.047690 logG= -0.059617 Density= 0.428614 ETOT(band)= -0.468137 trlgG= -0.590644 logG= -0.059617 TDE= -0.341982 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012146 tlogG= -0.048092 logG= -0.060238 Density= 0.430475 ETOT(band)= -0.468106 trlgG= -0.592497 logG= -0.060238 TDE= -0.342731 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011977 tlogG= -0.047979 logG= -0.059956 Density= 0.429532 ETOT(band)= -0.468230 trlgG= -0.591717 logG= -0.059956 TDE= -0.342230 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011979 tlogG= -0.046952 logG= -0.058931 Density= 0.430191 ETOT(band)= -0.466483 trlgG= -0.587666 logG= -0.058931 TDE= -0.341698 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011168 tlogG= -0.046630 logG= -0.057799 Density= 0.428400 ETOT(band)= -0.466857 trlgG= -0.587927 logG= -0.057799 TDE= -0.341710 logGD-logG0= -0.012313 tlogG= -0.047750 logG= -0.060062 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431081 ETOT(band)= -0.467533 trlgG= -0.591776 logG= -0.060062 TDE= -0.342747 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011667 tlogG= -0.047582 logG= -0.059249 logGD-logG0= -0.011481 tlogG= -0.047876 logG= -0.059357 Density= 0.429459 ETOT(band)= -0.467933 trlgG= -0.591271 logG= -0.059357 TDE= -0.342327 logGD-logG0= -0.011937 tlogG= -0.048243 logG= -0.060180 Density= 0.430369 ETOT(band)= -0.468275 trlgG= -0.592826 logG= -0.060180 TDE= -0.342605 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428922 ETOT(band)= -0.467485 trlgG= -0.589680 logG= -0.059249 TDE= -0.342027 logGD-logG0= -0.012328 tlogG= -0.048046 logG= -0.060374 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431668 ETOT(band)= -0.467762 trlgG= -0.593116 logG= -0.060374 TDE= -0.343118 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005666 tlogG= -0.022338 logG= -0.028004 logGD-logG0= -0.011902 tlogG= -0.047592 logG= -0.059494 Density= 0.323090 ETOT(band)= -0.347997 trlgG= -0.436605 logG= -0.028004 TDE= -0.170285 Density= 0.430329 ETOT(band)= -0.467128 trlgG= -0.589595 logG= -0.059494 TDE= -0.342143 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005909 tlogG= -0.021891 logG= -0.027800 Density= 0.216768 ETOT(band)= -0.230302 trlgG= -0.288209 logG= -0.027800 TDE= -0.170263 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012375 tlogG= -0.047289 logG= -0.059664 logGD-logG0= -0.012407 tlogG= -0.047720 logG= -0.060127 Density= 0.431425 ETOT(band)= -0.467478 trlgG= -0.592129 logG= -0.060127 TDE= -0.342853 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430805 ETOT(band)= -0.467108 trlgG= -0.590309 logG= -0.059664 TDE= -0.342363 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005815 tlogG= -0.021363 logG= -0.027178 Density= 0.217157 ETOT(band)= -0.229200 trlgG= -0.285998 logG= -0.027178 TDE= -0.169931 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005150 tlogG= -0.024142 logG= -0.029292 Density= 0.212324 ETOT(band)= -0.234370 trlgG= -0.295452 logG= -0.029292 TDE= -0.171015 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001431 tlogG= -0.005471 logG= -0.006902 Density= 0.081253 ETOT(band)= -0.086361 trlgG= -0.108016 logG= -0.006902 TDE= -0.042582 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005773 tlogG= -0.021218 logG= -0.026990 Density= 0.216484 ETOT(band)= -0.230058 trlgG= -0.287261 logG= -0.026990 TDE= -0.169838 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005626 tlogG= -0.022338 logG= -0.027964 Density= 0.215172 ETOT(band)= -0.231963 trlgG= -0.290823 logG= -0.027964 TDE= -0.170291 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011481 tlogG= -0.044647 logG= -0.056128 Density= 0.431891 ETOT(band)= -0.462111 trlgG= -0.578197 logG= -0.056128 TDE= -0.340490 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.827029907102 eV TrLogG= -409.780586458449 eV Ratio to renormalize= 0.999300567146 rho-rho_expected= 0.015398292870 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964697664267297 0.940485952563257 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 Density= 0.004546 ETOT(band)= -0.004733 trlgG= -0.005887 logG= -0.001083 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.003021 tlogG= -0.012035 logG= -0.015056 Density= 0.053802 ETOT(band)= -0.058527 trlgG= -0.074103 logG= -0.015056 TDE= -0.085671 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002841 tlogG= -0.012085 logG= -0.014926 Density= 0.053623 ETOT(band)= -0.058538 trlgG= -0.074049 logG= -0.014926 TDE= -0.085658 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001769 tlogG= -0.007813 logG= -0.009582 Density= 0.035516 ETOT(band)= -0.038920 trlgG= -0.048892 logG= -0.009582 TDE= -0.056885 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.008046 logG= -0.009737 logGD-logG0= -0.002746 tlogG= -0.011887 logG= -0.014633 Density= 0.035337 ETOT(band)= -0.039070 trlgG= -0.049259 logG= -0.009737 TDE= -0.057008 Density= 0.053598 ETOT(band)= -0.058394 trlgG= -0.073688 logG= -0.014633 TDE= -0.085578 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002751 tlogG= -0.011451 logG= -0.014202 Density= 0.053771 ETOT(band)= -0.058065 trlgG= -0.072922 logG= -0.014202 TDE= -0.085329 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002971 tlogG= -0.011988 logG= -0.014959 logGD-logG0= -0.005859 tlogG= -0.022464 logG= -0.028323 Density= 0.108271 ETOT(band)= -0.115729 trlgG= -0.145393 logG= -0.028323 TDE= -0.170648 Density= 0.054177 ETOT(band)= -0.058292 trlgG= -0.073961 logG= -0.014959 TDE= -0.085812 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005929 tlogG= -0.022989 logG= -0.028918 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108206 ETOT(band)= -0.116101 trlgG= -0.146340 logG= -0.028918 TDE= -0.170968 logGD-logG0= -0.005972 tlogG= -0.023437 logG= -0.029409 Density= 0.108205 ETOT(band)= -0.116371 trlgG= -0.147115 logG= -0.029409 TDE= -0.171251 logGD-logG0= -0.005977 tlogG= -0.023771 logG= -0.029748 Density= 0.108255 ETOT(band)= -0.116533 trlgG= -0.147650 logG= -0.029748 TDE= -0.171472 logGD-logG0= -0.005963 tlogG= -0.023957 logG= -0.029921 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108307 ETOT(band)= -0.116608 trlgG= -0.147927 logG= -0.029921 TDE= -0.171603 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005774 tlogG= -0.022176 logG= -0.027950 Density= 0.108425 ETOT(band)= -0.115424 trlgG= -0.144783 logG= -0.027950 TDE= -0.170487 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003042 tlogG= -0.011992 logG= -0.015034 logGD-logG0= -0.005832 tlogG= -0.024099 logG= -0.029931 logGD-logG0= -0.005202 tlogG= -0.023980 logG= -0.029182 logGD-logG0= -0.005176 tlogG= -0.024057 logG= -0.029233 Density= 0.106190 ETOT(band)= -0.117147 trlgG= -0.147646 logG= -0.029233 TDE= -0.170961 Density= 0.054022 ETOT(band)= -0.058412 trlgG= -0.074084 logG= -0.015034 TDE= -0.085783 Density= 0.107457 ETOT(band)= -0.117020 trlgG= -0.147976 logG= -0.029931 TDE= -0.171220 logGD-logG0= -0.006114 tlogG= -0.024077 logG= -0.030191 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.024051 logG= -0.029447 logGD-logG0= -0.006146 tlogG= -0.023908 logG= -0.030053 Density= 0.107830 ETOT(band)= -0.116923 trlgG= -0.148134 logG= -0.030053 TDE= -0.171440 Density= 0.106463 ETOT(band)= -0.117136 trlgG= -0.147650 logG= -0.029447 TDE= -0.170886 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107721 ETOT(band)= -0.117056 trlgG= -0.148350 logG= -0.030191 TDE= -0.171465 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106242 ETOT(band)= -0.117104 trlgG= -0.147532 logG= -0.029182 TDE= -0.170924 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005950 tlogG= -0.023879 logG= -0.029829 Density= 0.108327 ETOT(band)= -0.116544 trlgG= -0.147778 logG= -0.029829 TDE= -0.171555 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006127 tlogG= -0.023690 logG= -0.029817 Density= 0.107308 ETOT(band)= -0.116988 trlgG= -0.147688 logG= -0.029817 TDE= -0.170973 logGD-logG0= -0.005854 tlogG= -0.022740 logG= -0.028594 logGD-logG0= -0.005921 tlogG= -0.023223 logG= -0.029144 Density= 0.108267 ETOT(band)= -0.116194 trlgG= -0.146695 logG= -0.029144 TDE= -0.171127 logGD-logG0= -0.005953 tlogG= -0.023612 logG= -0.029565 logGD-logG0= -0.006118 tlogG= -0.024095 logG= -0.030213 Density= 0.107967 ETOT(band)= -0.116966 trlgG= -0.148410 logG= -0.030213 TDE= -0.171625 Density= 0.108279 ETOT(band)= -0.116418 trlgG= -0.147359 logG= -0.029565 TDE= -0.171375 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108317 ETOT(band)= -0.115865 trlgG= -0.145827 logG= -0.028594 TDE= -0.170834 logGD-logG0= -0.005842 tlogG= -0.023648 logG= -0.029490 logGD-logG0= -0.005554 tlogG= -0.022995 logG= -0.028549 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107053 ETOT(band)= -0.116916 trlgG= -0.147141 logG= -0.029490 TDE= -0.170627 logGD-logG0= -0.005668 tlogG= -0.023694 logG= -0.029362 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107452 ETOT(band)= -0.116710 trlgG= -0.147236 logG= -0.029362 TDE= -0.171046 logGD-logG0= -0.005695 tlogG= -0.022856 logG= -0.028550 Density= 0.107816 ETOT(band)= -0.116083 trlgG= -0.145763 logG= -0.028550 TDE= -0.170566 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005723 tlogG= -0.024075 logG= -0.029799 Density= 0.107133 ETOT(band)= -0.117080 trlgG= -0.148007 logG= -0.029799 TDE= -0.171223 Density= 0.106941 ETOT(band)= -0.116478 trlgG= -0.146055 logG= -0.028549 TDE= -0.170426 logGD-logG0= -0.006151 tlogG= -0.024141 logG= -0.030292 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107890 ETOT(band)= -0.117053 trlgG= -0.148536 logG= -0.030292 TDE= -0.171633 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005845 tlogG= -0.022414 logG= -0.028259 Density= 0.107702 ETOT(band)= -0.115955 trlgG= -0.145281 logG= -0.028259 TDE= -0.170319 logGD-logG0= -0.005528 tlogG= -0.023674 logG= -0.029202 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005751 tlogG= -0.023898 logG= -0.029649 logGD-logG0= -0.005944 tlogG= -0.022881 logG= -0.028825 Density= 0.107687 ETOT(band)= -0.116286 trlgG= -0.146176 logG= -0.028825 TDE= -0.170640 Density= 0.106671 ETOT(band)= -0.116944 trlgG= -0.147233 logG= -0.029202 TDE= -0.170817 Density= 0.106833 ETOT(band)= -0.117098 trlgG= -0.147757 logG= -0.029649 TDE= -0.170974 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006136 tlogG= -0.023201 logG= -0.029337 Density= 0.107757 ETOT(band)= -0.116534 trlgG= -0.146985 logG= -0.029337 TDE= -0.170971 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005579 tlogG= -0.023505 logG= -0.029085 Density= 0.106846 ETOT(band)= -0.116798 trlgG= -0.146799 logG= -0.029085 TDE= -0.170587 logGD-logG0= -0.006067 tlogG= -0.023973 logG= -0.030040 logGD-logG0= -0.006092 tlogG= -0.024066 logG= -0.030158 logGD-logG0= -0.005579 tlogG= -0.022858 logG= -0.028438 Density= 0.108026 ETOT(band)= -0.116899 trlgG= -0.148321 logG= -0.030158 TDE= -0.171619 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107522 ETOT(band)= -0.117041 trlgG= -0.148080 logG= -0.030040 TDE= -0.171247 Density= 0.107366 ETOT(band)= -0.116226 trlgG= -0.145898 logG= -0.028438 TDE= -0.170590 logGD-logG0= -0.011465 tlogG= -0.048257 logG= -0.059722 Density= 0.214556 ETOT(band)= -0.234120 trlgG= -0.296085 logG= -0.059722 TDE= -0.342535 logGD-logG0= -0.010808 tlogG= -0.047643 logG= -0.058451 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213072 ETOT(band)= -0.234009 trlgG= -0.294601 logG= -0.058451 TDE= -0.341589 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011142 tlogG= -0.045773 logG= -0.056915 Density= 0.215156 ETOT(band)= -0.232288 trlgG= -0.291690 logG= -0.056915 TDE= -0.341245 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006144 tlogG= -0.023587 logG= -0.029731 logGD-logG0= -0.006105 tlogG= -0.023878 logG= -0.029982 Density= 0.107994 ETOT(band)= -0.116793 trlgG= -0.148026 logG= -0.029982 TDE= -0.171484 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107877 ETOT(band)= -0.116696 trlgG= -0.147613 logG= -0.029731 TDE= -0.171265 logGD-logG0= -0.011429 tlogG= -0.045603 logG= -0.057032 Density= 0.214502 ETOT(band)= -0.232635 trlgG= -0.291876 logG= -0.057032 TDE= -0.340990 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011616 tlogG= -0.047914 logG= -0.059530 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214122 ETOT(band)= -0.234156 trlgG= -0.295779 logG= -0.059530 TDE= -0.342208 logGD-logG0= -0.011521 tlogG= -0.045662 logG= -0.057184 Density= 0.215289 ETOT(band)= -0.232363 trlgG= -0.291676 logG= -0.057184 TDE= -0.341028 logGD-logG0= -0.011235 tlogG= -0.047941 logG= -0.059176 Density= 0.213424 ETOT(band)= -0.234217 trlgG= -0.295240 logG= -0.059176 TDE= -0.341678 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011338 tlogG= -0.047173 logG= -0.058510 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213914 ETOT(band)= -0.233713 trlgG= -0.294520 logG= -0.058510 TDE= -0.341865 logGD-logG0= -0.011500 tlogG= -0.047165 logG= -0.058665 Density= 0.213926 ETOT(band)= -0.233757 trlgG= -0.294310 logG= -0.058665 TDE= -0.341506 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011104 tlogG= -0.047461 logG= -0.058565 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214458 ETOT(band)= -0.233546 trlgG= -0.294643 logG= -0.058565 TDE= -0.342203 logGD-logG0= -0.012183 tlogG= -0.047760 logG= -0.059942 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214914 ETOT(band)= -0.234045 trlgG= -0.295915 logG= -0.059942 TDE= -0.342323 logGD-logG0= -0.012048 tlogG= -0.047800 logG= -0.059848 logGD-logG0= -0.005551 tlogG= -0.023693 logG= -0.029244 Density= 0.214812 ETOT(band)= -0.234038 trlgG= -0.295748 logG= -0.059848 TDE= -0.342200 Density= 0.107049 ETOT(band)= -0.116828 trlgG= -0.147333 logG= -0.029244 TDE= -0.171062 logGD-logG0= -0.002879 tlogG= -0.010844 logG= -0.013723 Density= 0.054096 ETOT(band)= -0.057588 trlgG= -0.071962 logG= -0.013723 TDE= -0.085008 logGD-logG0= -0.011836 tlogG= -0.046425 logG= -0.058260 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215362 ETOT(band)= -0.232923 trlgG= -0.293308 logG= -0.058260 TDE= -0.341620 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001900 tlogG= -0.006994 logG= -0.008894 Density= 0.036217 ETOT(band)= -0.038126 trlgG= -0.047528 logG= -0.008894 TDE= -0.056556 logGD-logG0= -0.011733 tlogG= -0.048042 logG= -0.059775 Density= 0.214687 ETOT(band)= -0.234067 trlgG= -0.295831 logG= -0.059775 TDE= -0.342294 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012082 tlogG= -0.047320 logG= -0.059401 logGD-logG0= -0.012183 tlogG= -0.047957 logG= -0.060140 Density= 0.216055 ETOT(band)= -0.233669 trlgG= -0.296343 logG= -0.060140 TDE= -0.343118 logGD-logG0= -0.001969 tlogG= -0.007306 logG= -0.009276 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012261 tlogG= -0.047544 logG= -0.059805 Density= 0.215857 ETOT(band)= -0.233551 trlgG= -0.295785 logG= -0.059805 TDE= -0.342797 Density= 0.035866 ETOT(band)= -0.038573 trlgG= -0.048191 logG= -0.009276 TDE= -0.056664 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214415 ETOT(band)= -0.233937 trlgG= -0.295004 logG= -0.059401 TDE= -0.341706 logGD-logG0= -0.012214 tlogG= -0.048028 logG= -0.060242 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215266 ETOT(band)= -0.234091 trlgG= -0.296447 logG= -0.060242 TDE= -0.342730 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012134 tlogG= -0.048094 logG= -0.060228 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012322 tlogG= -0.048158 logG= -0.060480 Density= 0.215229 ETOT(band)= -0.234100 trlgG= -0.296421 logG= -0.060228 TDE= -0.342699 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215583 ETOT(band)= -0.234119 trlgG= -0.296878 logG= -0.060480 TDE= -0.343080 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012239 tlogG= -0.047906 logG= -0.060145 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215927 ETOT(band)= -0.233740 trlgG= -0.296347 logG= -0.060145 TDE= -0.343054 logGD-logG0= -0.012275 tlogG= -0.046891 logG= -0.059166 logGD-logG0= -0.011457 tlogG= -0.047237 logG= -0.058694 Density= 0.215582 ETOT(band)= -0.233314 trlgG= -0.294749 logG= -0.059166 TDE= -0.342263 Density= 0.214625 ETOT(band)= -0.233507 trlgG= -0.294413 logG= -0.058694 TDE= -0.341926 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012233 tlogG= -0.047433 logG= -0.059667 Density= 0.215623 ETOT(band)= -0.233590 trlgG= -0.295548 logG= -0.059667 TDE= -0.342583 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011751 tlogG= -0.047165 logG= -0.058915 Density= 0.215301 ETOT(band)= -0.233323 trlgG= -0.294327 logG= -0.058915 TDE= -0.341954 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005468 tlogG= -0.023211 logG= -0.028679 Density= 0.106806 ETOT(band)= -0.116608 trlgG= -0.146318 logG= -0.028679 TDE= -0.170492 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005823 tlogG= -0.021881 logG= -0.027704 Density= 0.108391 ETOT(band)= -0.115239 trlgG= -0.144347 logG= -0.027704 TDE= -0.170280 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011982 tlogG= -0.047992 logG= -0.059974 Density= 0.215230 ETOT(band)= -0.233955 trlgG= -0.296005 logG= -0.059974 TDE= -0.342538 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005735 tlogG= -0.021571 logG= -0.027305 Density= 0.108579 ETOT(band)= -0.114875 trlgG= -0.143666 logG= -0.027305 TDE= -0.170091 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005650 tlogG= -0.020995 logG= -0.026645 logGD-logG0= -0.002816 tlogG= -0.010429 logG= -0.013245 Density= 0.054409 ETOT(band)= -0.057072 trlgG= -0.071113 logG= -0.013245 TDE= -0.084792 Density= 0.108773 ETOT(band)= -0.114290 trlgG= -0.142506 logG= -0.026645 TDE= -0.169687 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005905 tlogG= -0.021824 logG= -0.027729 Density= 0.107855 ETOT(band)= -0.115528 trlgG= -0.144411 logG= -0.027729 TDE= -0.170054 logGD-logG0= -0.011858 tlogG= -0.047672 logG= -0.059530 Density= 0.214103 ETOT(band)= -0.234143 trlgG= -0.295531 logG= -0.059530 TDE= -0.341950 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011681 tlogG= -0.043402 logG= -0.055083 Density= 0.216410 ETOT(band)= -0.230463 trlgG= -0.288175 logG= -0.055083 TDE= -0.340182 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005844 tlogG= -0.021701 logG= -0.027545 Density= 0.107997 ETOT(band)= -0.115336 trlgG= -0.144100 logG= -0.027545 TDE= -0.169998 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001483 tlogG= -0.005941 logG= -0.007423 Density= 0.080891 ETOT(band)= -0.087641 trlgG= -0.110994 logG= -0.007423 TDE= -0.042872 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001478 tlogG= -0.005857 logG= -0.007335 Density= 0.080706 ETOT(band)= -0.087605 trlgG= -0.110799 logG= -0.007335 TDE= -0.042817 logGD-logG0= -0.001481 tlogG= -0.005985 logG= -0.007466 logGD-logG0= -0.001716 tlogG= -0.007967 logG= -0.009684 Density= 0.070914 ETOT(band)= -0.077941 trlgG= -0.098029 logG= -0.009684 TDE= -0.056970 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081120 ETOT(band)= -0.087545 trlgG= -0.111043 logG= -0.007466 TDE= -0.042902 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001463 tlogG= -0.005749 logG= -0.007212 Density= 0.080690 ETOT(band)= -0.087390 trlgG= -0.110245 logG= -0.007212 TDE= -0.042752 logGD-logG0= -0.001441 tlogG= -0.005621 logG= -0.007062 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080889 ETOT(band)= -0.086964 trlgG= -0.109240 logG= -0.007062 TDE= -0.042676 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001856 tlogG= -0.006876 logG= -0.008732 Density= 0.040872 ETOT(band)= -0.042674 trlgG= -0.053113 logG= -0.008732 TDE= -0.056470 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005151 tlogG= -0.024137 logG= -0.029288 Density= 0.212319 ETOT(band)= -0.234345 trlgG= -0.295417 logG= -0.029288 TDE= -0.171000 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023592 logG= -0.028926 Density= 0.212764 ETOT(band)= -0.233967 trlgG= -0.294463 logG= -0.028926 TDE= -0.170717 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001392 tlogG= -0.005173 logG= -0.006565 Density= 0.062581 ETOT(band)= -0.067540 trlgG= -0.084708 logG= -0.006565 TDE= -0.042365 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005802 tlogG= -0.022910 logG= -0.028712 Density= 0.214936 ETOT(band)= -0.232385 trlgG= -0.291383 logG= -0.028712 TDE= -0.170454 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006048 tlogG= -0.024009 logG= -0.030056 Density= 0.215845 ETOT(band)= -0.233840 trlgG= -0.296502 logG= -0.030056 TDE= -0.171601 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001852 tlogG= -0.007590 logG= -0.009442 Density= 0.071542 ETOT(band)= -0.077343 trlgG= -0.096724 logG= -0.009442 TDE= -0.056745 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005447 tlogG= -0.023895 logG= -0.029343 logGD-logG0= -0.006083 tlogG= -0.023807 logG= -0.029889 Density= 0.213428 ETOT(band)= -0.233836 trlgG= -0.294205 logG= -0.029343 TDE= -0.170805 Density= 0.215490 ETOT(band)= -0.233744 trlgG= -0.295853 logG= -0.029889 TDE= -0.171448 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006010 tlogG= -0.024007 logG= -0.030017 Density= 0.216514 ETOT(band)= -0.233327 trlgG= -0.296017 logG= -0.030017 TDE= -0.171618 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006080 tlogG= -0.023488 logG= -0.029567 Density= 0.215365 ETOT(band)= -0.233309 trlgG= -0.294593 logG= -0.029567 TDE= -0.171191 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005608 tlogG= -0.024012 logG= -0.029620 Density= 0.321796 ETOT(band)= -0.351073 trlgG= -0.443885 logG= -0.029620 TDE= -0.171248 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006142 tlogG= -0.024130 logG= -0.030272 Density= 0.215878 ETOT(band)= -0.233996 trlgG= -0.296915 logG= -0.030272 TDE= -0.171633 logGD-logG0= -0.005906 tlogG= -0.023851 logG= -0.029757 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215653 ETOT(band)= -0.233741 trlgG= -0.295955 logG= -0.029757 TDE= -0.171136 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001969 tlogG= -0.007119 logG= -0.009088 Density= 0.072273 ETOT(band)= -0.076479 trlgG= -0.095404 logG= -0.009088 TDE= -0.056631 logGD-logG0= -0.012051 tlogG= -0.047801 logG= -0.059852 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324586 ETOT(band)= -0.349894 trlgG= -0.443527 logG= -0.059852 TDE= -0.343076 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011824 tlogG= -0.045641 logG= -0.057465 logGD-logG0= -0.005783 tlogG= -0.022299 logG= -0.028082 Density= 0.324253 ETOT(band)= -0.347928 trlgG= -0.437480 logG= -0.057465 TDE= -0.341502 Density= 0.214398 ETOT(band)= -0.232425 trlgG= -0.291151 logG= -0.028082 TDE= -0.170190 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023746 logG= -0.029025 Density= 0.213229 ETOT(band)= -0.233563 trlgG= -0.293482 logG= -0.029025 TDE= -0.170802 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005940 tlogG= -0.022446 logG= -0.028385 Density= 0.216505 ETOT(band)= -0.231277 trlgG= -0.290274 logG= -0.028385 TDE= -0.170589 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012344 tlogG= -0.048054 logG= -0.060398 Density= 0.323485 ETOT(band)= -0.350957 trlgG= -0.444884 logG= -0.060398 TDE= -0.343070 logGD-logG0= -0.006031 tlogG= -0.023422 logG= -0.029453 Density= 0.216347 ETOT(band)= -0.232644 trlgG= -0.293876 logG= -0.029453 TDE= -0.171211 logGD-logG0= -0.012100 tlogG= -0.047250 logG= -0.059350 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005914 tlogG= -0.023963 logG= -0.029877 Density= 0.214495 ETOT(band)= -0.234071 trlgG= -0.295610 logG= -0.029877 TDE= -0.171086 logGD-logG0= -0.006003 tlogG= -0.023964 logG= -0.029967 Density= 0.324362 ETOT(band)= -0.349525 trlgG= -0.442184 logG= -0.059350 TDE= -0.342684 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216547 ETOT(band)= -0.233223 trlgG= -0.295784 logG= -0.029967 TDE= -0.171591 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005423 tlogG= -0.023978 logG= -0.029401 Density= 0.212958 ETOT(band)= -0.234243 trlgG= -0.295205 logG= -0.029401 TDE= -0.170853 logGD-logG0= -0.005517 tlogG= -0.023374 logG= -0.028890 logGD-logG0= -0.012097 tlogG= -0.046429 logG= -0.058525 Density= 0.324216 ETOT(band)= -0.348869 trlgG= -0.440100 logG= -0.058525 TDE= -0.342126 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321854 ETOT(band)= -0.350029 trlgG= -0.441311 logG= -0.028890 TDE= -0.170923 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001412 tlogG= -0.005309 logG= -0.006720 Density= 0.081606 ETOT(band)= -0.085687 trlgG= -0.106842 logG= -0.006720 TDE= -0.042467 logGD-logG0= -0.005877 tlogG= -0.024168 logG= -0.030046 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005752 tlogG= -0.022479 logG= -0.028231 Density= 0.215158 ETOT(band)= -0.231652 trlgG= -0.289746 logG= -0.028231 TDE= -0.170203 Density= 0.322678 ETOT(band)= -0.351189 trlgG= -0.444549 logG= -0.030046 TDE= -0.171254 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006024 tlogG= -0.023769 logG= -0.029793 Density= 0.216433 ETOT(band)= -0.233024 trlgG= -0.295082 logG= -0.029793 TDE= -0.171450 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006002 tlogG= -0.022975 logG= -0.028977 Density= 0.216367 ETOT(band)= -0.232072 trlgG= -0.292260 logG= -0.028977 TDE= -0.170924 logGD-logG0= -0.006177 tlogG= -0.023965 logG= -0.030142 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323900 ETOT(band)= -0.350634 trlgG= -0.444624 logG= -0.030142 TDE= -0.171505 logGD-logG0= -0.005577 tlogG= -0.024013 logG= -0.029590 Density= 0.214273 ETOT(band)= -0.234061 trlgG= -0.295832 logG= -0.029590 TDE= -0.171253 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005758 tlogG= -0.023887 logG= -0.029646 Density= 0.213940 ETOT(band)= -0.233984 trlgG= -0.294710 logG= -0.029646 TDE= -0.170816 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006078 tlogG= -0.024090 logG= -0.030168 Density= 0.323300 ETOT(band)= -0.351164 trlgG= -0.445189 logG= -0.030168 TDE= -0.171447 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005621 tlogG= -0.023251 logG= -0.028872 Density= 0.213643 ETOT(band)= -0.233591 trlgG= -0.293937 logG= -0.028872 TDE= -0.170767 logGD-logG0= -0.011343 tlogG= -0.046617 logG= -0.057961 Density= 0.322919 ETOT(band)= -0.348990 trlgG= -0.438935 logG= -0.057961 TDE= -0.341654 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005674 tlogG= -0.023843 logG= -0.029517 logGD-logG0= -0.010652 tlogG= -0.048107 logG= -0.058759 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213724 ETOT(band)= -0.234121 trlgG= -0.295450 logG= -0.029517 TDE= -0.171071 Density= 0.425830 ETOT(band)= -0.468286 trlgG= -0.589900 logG= -0.058759 TDE= -0.341823 logGD-logG0= -0.006193 tlogG= -0.023906 logG= -0.030099 Density= 0.215804 ETOT(band)= -0.233743 trlgG= -0.296231 logG= -0.030099 TDE= -0.171457 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011315 tlogG= -0.047852 logG= -0.059167 Density= 0.428342 ETOT(band)= -0.468106 trlgG= -0.591250 logG= -0.059167 TDE= -0.342311 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006243 tlogG= -0.023692 logG= -0.029935 logGD-logG0= -0.011129 tlogG= -0.046724 logG= -0.057853 Density= 0.215564 ETOT(band)= -0.233593 trlgG= -0.295538 logG= -0.029935 TDE= -0.171279 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428175 ETOT(band)= -0.466091 trlgG= -0.585258 logG= -0.057853 TDE= -0.341265 logGD-logG0= -0.006268 tlogG= -0.023360 logG= -0.029628 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215258 ETOT(band)= -0.233335 trlgG= -0.294402 logG= -0.029628 TDE= -0.170986 logGD-logG0= -0.006004 tlogG= -0.023200 logG= -0.029203 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215013 ETOT(band)= -0.232936 trlgG= -0.292911 logG= -0.029203 TDE= -0.170642 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005911 tlogG= -0.021886 logG= -0.027797 Density= 0.216760 ETOT(band)= -0.230280 trlgG= -0.288178 logG= -0.027797 TDE= -0.170249 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011930 tlogG= -0.047680 logG= -0.059610 logGD-logG0= -0.005734 tlogG= -0.021308 logG= -0.027042 Density= 0.428599 ETOT(band)= -0.468090 trlgG= -0.590577 logG= -0.059610 TDE= -0.341952 Density= 0.162753 ETOT(band)= -0.172983 trlgG= -0.217177 logG= -0.027042 TDE= -0.169903 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005775 tlogG= -0.021212 logG= -0.026987 logGD-logG0= -0.005818 tlogG= -0.021357 logG= -0.027175 Density= 0.217149 ETOT(band)= -0.229178 trlgG= -0.285968 logG= -0.027175 TDE= -0.169917 Density= 0.216476 ETOT(band)= -0.230035 trlgG= -0.287230 logG= -0.026987 TDE= -0.169823 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011599 tlogG= -0.046413 logG= -0.058012 Density= 0.429815 ETOT(band)= -0.465525 trlgG= -0.584905 logG= -0.058012 TDE= -0.341375 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011940 tlogG= -0.048234 logG= -0.060174 logGD-logG0= -0.011812 tlogG= -0.048161 logG= -0.059973 Density= 0.430352 ETOT(band)= -0.468229 trlgG= -0.592759 logG= -0.060174 TDE= -0.342574 Density= 0.429614 ETOT(band)= -0.468222 trlgG= -0.592002 logG= -0.059973 TDE= -0.342357 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011334 tlogG= -0.047660 logG= -0.058995 logGD-logG0= -0.011981 tlogG= -0.047969 logG= -0.059950 Density= 0.429516 ETOT(band)= -0.468183 trlgG= -0.591649 logG= -0.059950 TDE= -0.342199 logGD-logG0= -0.012413 tlogG= -0.047708 logG= -0.060121 Density= 0.426974 ETOT(band)= -0.468314 trlgG= -0.590403 logG= -0.058995 TDE= -0.341843 Density= 0.431407 ETOT(band)= -0.467434 trlgG= -0.592064 logG= -0.060121 TDE= -0.342822 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012315 tlogG= -0.047741 logG= -0.060056 Density= 0.431064 ETOT(band)= -0.467488 trlgG= -0.591709 logG= -0.060056 TDE= -0.342716 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011287 tlogG= -0.047780 logG= -0.059067 Density= 0.427475 ETOT(band)= -0.467867 trlgG= -0.589246 logG= -0.059067 TDE= -0.341544 logGD-logG0= -0.011484 tlogG= -0.047866 logG= -0.059350 Density= 0.429443 ETOT(band)= -0.467886 trlgG= -0.591206 logG= -0.059350 TDE= -0.342297 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011982 tlogG= -0.046943 logG= -0.058924 logGD-logG0= -0.011172 tlogG= -0.046620 logG= -0.057792 Density= 0.428387 ETOT(band)= -0.466809 trlgG= -0.587860 logG= -0.057792 TDE= -0.341680 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430176 ETOT(band)= -0.466437 trlgG= -0.587599 logG= -0.058924 TDE= -0.341667 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012334 tlogG= -0.048033 logG= -0.060367 Density= 0.431650 ETOT(band)= -0.467717 trlgG= -0.593051 logG= -0.060367 TDE= -0.343087 logGD-logG0= -0.011670 tlogG= -0.047572 logG= -0.059242 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428908 ETOT(band)= -0.467438 trlgG= -0.589613 logG= -0.059242 TDE= -0.341996 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005856 tlogG= -0.023250 logG= -0.029107 Density= 0.321930 ETOT(band)= -0.350533 trlgG= -0.442157 logG= -0.029107 TDE= -0.170877 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005852 tlogG= -0.024163 logG= -0.030016 Density= 0.214898 ETOT(band)= -0.234145 trlgG= -0.296219 logG= -0.030016 TDE= -0.171258 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012149 tlogG= -0.048083 logG= -0.060231 logGD-logG0= -0.012378 tlogG= -0.047280 logG= -0.059658 Density= 0.430458 ETOT(band)= -0.468060 trlgG= -0.592430 logG= -0.060231 TDE= -0.342699 logGD-logG0= -0.011905 tlogG= -0.047582 logG= -0.059487 Density= 0.430313 ETOT(band)= -0.467082 trlgG= -0.589528 logG= -0.059487 TDE= -0.342112 Density= 0.430788 ETOT(band)= -0.467063 trlgG= -0.590243 logG= -0.059658 TDE= -0.342332 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001432 tlogG= -0.005470 logG= -0.006902 Density= 0.081250 ETOT(band)= -0.086353 trlgG= -0.108005 logG= -0.006902 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011614 tlogG= -0.044634 logG= -0.056248 Density= 0.324489 ETOT(band)= -0.346662 trlgG= -0.434482 logG= -0.056248 TDE= -0.340823 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005668 tlogG= -0.022333 logG= -0.028001 Density= 0.323079 ETOT(band)= -0.347962 trlgG= -0.436556 logG= -0.028001 TDE= -0.170270 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005487 tlogG= -0.023377 logG= -0.028864 Density= 0.214328 ETOT(band)= -0.233352 trlgG= -0.294040 logG= -0.028864 TDE= -0.170931 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005628 tlogG= -0.022333 logG= -0.027961 Density= 0.215165 ETOT(band)= -0.231940 trlgG= -0.290790 logG= -0.027961 TDE= -0.170276 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011484 tlogG= -0.044638 logG= -0.056122 Density= 0.431877 ETOT(band)= -0.462065 trlgG= -0.578133 logG= -0.056122 TDE= -0.340460 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.794799429734 eV TrLogG= -409.729228133686 eV Ratio to renormalize= 0.999336468801 rho-rho_expected= 0.014607378826 nargs= 1 argi=dmft2.def 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964681108033311 0.940466278208237 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002746 tlogG= -0.011887 logG= -0.014633 Density= 0.053598 ETOT(band)= -0.058394 trlgG= -0.073687 logG= -0.014633 TDE= -0.085578 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005775 tlogG= -0.022176 logG= -0.027950 Density= 0.108425 ETOT(band)= -0.115424 trlgG= -0.144783 logG= -0.027950 TDE= -0.170486 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005854 tlogG= -0.022740 logG= -0.028594 Density= 0.108317 ETOT(band)= -0.115865 trlgG= -0.145827 logG= -0.028594 TDE= -0.170834 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006127 tlogG= -0.023690 logG= -0.029817 Density= 0.107308 ETOT(band)= -0.116988 trlgG= -0.147688 logG= -0.029817 TDE= -0.170972 logGD-logG0= -0.005921 tlogG= -0.023222 logG= -0.029144 Density= 0.108266 ETOT(band)= -0.116194 trlgG= -0.146695 logG= -0.029144 TDE= -0.171127 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005552 tlogG= -0.023693 logG= -0.029244 Density= 0.107048 ETOT(band)= -0.116827 trlgG= -0.147332 logG= -0.029244 TDE= -0.171061 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006136 tlogG= -0.023201 logG= -0.029337 Density= 0.107757 ETOT(band)= -0.116533 trlgG= -0.146984 logG= -0.029337 TDE= -0.170970 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002879 tlogG= -0.010844 logG= -0.013723 Density= 0.054096 ETOT(band)= -0.057587 trlgG= -0.071962 logG= -0.013723 TDE= -0.085008 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002841 tlogG= -0.012085 logG= -0.014926 Density= 0.053622 ETOT(band)= -0.058538 trlgG= -0.074048 logG= -0.014926 TDE= -0.085657 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.008046 logG= -0.009737 Density= 0.035337 ETOT(band)= -0.039070 trlgG= -0.049259 logG= -0.009737 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001769 tlogG= -0.007813 logG= -0.009582 Density= 0.035516 ETOT(band)= -0.038920 trlgG= -0.048892 logG= -0.009582 TDE= -0.056884 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003042 tlogG= -0.011991 logG= -0.015034 Density= 0.054022 ETOT(band)= -0.058412 trlgG= -0.074084 logG= -0.015034 TDE= -0.085783 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000230 tlogG= -0.000853 logG= -0.001083 Density= 0.004546 ETOT(band)= -0.004733 trlgG= -0.005887 logG= -0.001083 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.003021 tlogG= -0.012035 logG= -0.015056 Density= 0.053802 ETOT(band)= -0.058527 trlgG= -0.074103 logG= -0.015056 TDE= -0.085671 logGD-logG0= -0.005468 tlogG= -0.023211 logG= -0.028679 Density= 0.106806 ETOT(band)= -0.116608 trlgG= -0.146318 logG= -0.028679 TDE= -0.170492 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005579 tlogG= -0.023505 logG= -0.029084 Density= 0.106845 ETOT(band)= -0.116798 trlgG= -0.146799 logG= -0.029084 TDE= -0.170587 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005845 tlogG= -0.022414 logG= -0.028259 Density= 0.107702 ETOT(band)= -0.115954 trlgG= -0.145281 logG= -0.028259 TDE= -0.170318 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002971 tlogG= -0.011987 logG= -0.014959 logGD-logG0= -0.002751 tlogG= -0.011451 logG= -0.014202 Density= 0.054177 ETOT(band)= -0.058292 trlgG= -0.073961 logG= -0.014959 TDE= -0.085811 Density= 0.053771 ETOT(band)= -0.058065 trlgG= -0.072921 logG= -0.014202 TDE= -0.085328 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005972 tlogG= -0.023437 logG= -0.029409 Density= 0.108205 ETOT(band)= -0.116370 trlgG= -0.147115 logG= -0.029409 TDE= -0.171251 logGD-logG0= -0.005963 tlogG= -0.023957 logG= -0.029921 Density= 0.108307 ETOT(band)= -0.116608 trlgG= -0.147927 logG= -0.029921 TDE= -0.171602 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010808 tlogG= -0.047642 logG= -0.058450 Density= 0.213072 ETOT(band)= -0.234008 trlgG= -0.294600 logG= -0.058450 TDE= -0.341588 logGD-logG0= -0.005929 tlogG= -0.022989 logG= -0.028918 Density= 0.108206 ETOT(band)= -0.116100 trlgG= -0.146340 logG= -0.028918 TDE= -0.170968 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005859 tlogG= -0.022464 logG= -0.028323 Density= 0.108270 ETOT(band)= -0.115729 trlgG= -0.145392 logG= -0.028323 TDE= -0.170647 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005977 tlogG= -0.023771 logG= -0.029748 Density= 0.108255 ETOT(band)= -0.116533 trlgG= -0.147650 logG= -0.029748 TDE= -0.171472 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006144 tlogG= -0.023587 logG= -0.029730 Density= 0.107877 ETOT(band)= -0.116695 trlgG= -0.147612 logG= -0.029730 TDE= -0.171264 logGD-logG0= -0.011429 tlogG= -0.045603 logG= -0.057032 Density= 0.214502 ETOT(band)= -0.232635 trlgG= -0.291875 logG= -0.057032 TDE= -0.340989 logGD-logG0= -0.011522 tlogG= -0.045662 logG= -0.057183 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215289 ETOT(band)= -0.232362 trlgG= -0.291675 logG= -0.057183 TDE= -0.341027 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.024051 logG= -0.029447 logGD-logG0= -0.011235 tlogG= -0.047941 logG= -0.059176 Density= 0.106463 ETOT(band)= -0.117135 trlgG= -0.147649 logG= -0.029447 TDE= -0.170885 Density= 0.213424 ETOT(band)= -0.234216 trlgG= -0.295239 logG= -0.059176 TDE= -0.341676 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.024057 logG= -0.029233 Density= 0.106190 ETOT(band)= -0.117147 trlgG= -0.147646 logG= -0.029233 TDE= -0.170961 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005950 tlogG= -0.023878 logG= -0.029829 Density= 0.108327 ETOT(band)= -0.116544 trlgG= -0.147778 logG= -0.029829 TDE= -0.171555 logGD-logG0= -0.006114 tlogG= -0.024077 logG= -0.030191 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107721 ETOT(band)= -0.117056 trlgG= -0.148349 logG= -0.030191 TDE= -0.171465 logGD-logG0= -0.005953 tlogG= -0.023612 logG= -0.029565 Density= 0.108279 ETOT(band)= -0.116417 trlgG= -0.147358 logG= -0.029565 TDE= -0.171375 logGD-logG0= -0.005202 tlogG= -0.023980 logG= -0.029182 Density= 0.106242 ETOT(band)= -0.117104 trlgG= -0.147532 logG= -0.029182 TDE= -0.170923 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005695 tlogG= -0.022855 logG= -0.028550 logGD-logG0= -0.001969 tlogG= -0.007306 logG= -0.009276 Density= 0.035866 ETOT(band)= -0.038573 trlgG= -0.048191 logG= -0.009276 TDE= -0.056664 Density= 0.107816 ETOT(band)= -0.116083 trlgG= -0.145763 logG= -0.028550 TDE= -0.170565 logGD-logG0= -0.006151 tlogG= -0.024141 logG= -0.030292 logGD-logG0= -0.006118 tlogG= -0.024094 logG= -0.030212 Density= 0.107967 ETOT(band)= -0.116965 trlgG= -0.148409 logG= -0.030212 TDE= -0.171624 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107890 ETOT(band)= -0.117052 trlgG= -0.148535 logG= -0.030292 TDE= -0.171633 logGD-logG0= -0.006146 tlogG= -0.023907 logG= -0.030053 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005554 tlogG= -0.022995 logG= -0.028548 Density= 0.106941 ETOT(band)= -0.116478 trlgG= -0.146054 logG= -0.028548 TDE= -0.170426 logGD-logG0= -0.005842 tlogG= -0.023648 logG= -0.029490 Density= 0.107830 ETOT(band)= -0.116923 trlgG= -0.148133 logG= -0.030053 TDE= -0.171440 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107053 ETOT(band)= -0.116916 trlgG= -0.147141 logG= -0.029490 TDE= -0.170626 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005751 tlogG= -0.023897 logG= -0.029649 logGD-logG0= -0.005832 tlogG= -0.024098 logG= -0.029931 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006068 tlogG= -0.023973 logG= -0.030040 Density= 0.107522 ETOT(band)= -0.117041 trlgG= -0.148080 logG= -0.030040 TDE= -0.171247 Density= 0.107456 ETOT(band)= -0.117019 trlgG= -0.147975 logG= -0.029931 TDE= -0.171219 Density= 0.106833 ETOT(band)= -0.117097 trlgG= -0.147756 logG= -0.029649 TDE= -0.170974 logGD-logG0= -0.005944 tlogG= -0.022881 logG= -0.028824 Density= 0.107686 ETOT(band)= -0.116286 trlgG= -0.146176 logG= -0.028824 TDE= -0.170640 logGD-logG0= -0.005528 tlogG= -0.023674 logG= -0.029202 Density= 0.106670 ETOT(band)= -0.116943 trlgG= -0.147232 logG= -0.029202 TDE= -0.170816 logGD-logG0= -0.005724 tlogG= -0.024075 logG= -0.029799 Density= 0.107133 ETOT(band)= -0.117080 trlgG= -0.148007 logG= -0.029799 TDE= -0.171222 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005668 tlogG= -0.023694 logG= -0.029362 Density= 0.107452 ETOT(band)= -0.116710 trlgG= -0.147235 logG= -0.029362 TDE= -0.171045 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005579 tlogG= -0.022858 logG= -0.028437 Density= 0.107366 ETOT(band)= -0.116226 trlgG= -0.145897 logG= -0.028437 TDE= -0.170590 logGD-logG0= -0.006105 tlogG= -0.023877 logG= -0.029982 Density= 0.107994 ETOT(band)= -0.116792 trlgG= -0.148025 logG= -0.029982 TDE= -0.171484 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011466 tlogG= -0.048256 logG= -0.059722 Density= 0.214555 ETOT(band)= -0.234119 trlgG= -0.296083 logG= -0.059722 TDE= -0.342534 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011142 tlogG= -0.045773 logG= -0.056914 Density= 0.215156 ETOT(band)= -0.232287 trlgG= -0.291689 logG= -0.056914 TDE= -0.341244 logGD-logG0= -0.006092 tlogG= -0.024066 logG= -0.030158 Density= 0.108026 ETOT(band)= -0.116898 trlgG= -0.148320 logG= -0.030158 TDE= -0.171619 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011616 tlogG= -0.047913 logG= -0.059529 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214122 ETOT(band)= -0.234155 trlgG= -0.295778 logG= -0.059529 TDE= -0.342207 logGD-logG0= -0.005650 tlogG= -0.020995 logG= -0.026645 Density= 0.108773 ETOT(band)= -0.114289 trlgG= -0.142506 logG= -0.026645 TDE= -0.169686 logGD-logG0= -0.011338 tlogG= -0.047172 logG= -0.058510 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213913 ETOT(band)= -0.233712 trlgG= -0.294519 logG= -0.058510 TDE= -0.341863 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011500 tlogG= -0.047165 logG= -0.058665 Density= 0.213926 ETOT(band)= -0.233756 trlgG= -0.294308 logG= -0.058665 TDE= -0.341504 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012183 tlogG= -0.047759 logG= -0.059942 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214914 ETOT(band)= -0.234044 trlgG= -0.295914 logG= -0.059942 TDE= -0.342322 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011105 tlogG= -0.047460 logG= -0.058565 Density= 0.214458 ETOT(band)= -0.233545 trlgG= -0.294642 logG= -0.058565 TDE= -0.342202 logGD-logG0= -0.012134 tlogG= -0.048094 logG= -0.060227 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001900 tlogG= -0.006994 logG= -0.008894 Density= 0.036217 ETOT(band)= -0.038126 trlgG= -0.047527 logG= -0.008894 TDE= -0.056556 Density= 0.215229 ETOT(band)= -0.234099 trlgG= -0.296420 logG= -0.060227 TDE= -0.342698 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012048 tlogG= -0.047799 logG= -0.059847 logGD-logG0= -0.012322 tlogG= -0.048158 logG= -0.060480 logGD-logG0= -0.011982 tlogG= -0.047992 logG= -0.059974 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214812 ETOT(band)= -0.234037 trlgG= -0.295746 logG= -0.059847 TDE= -0.342199 Density= 0.215582 ETOT(band)= -0.234118 trlgG= -0.296877 logG= -0.060480 TDE= -0.343078 Density= 0.215230 ETOT(band)= -0.233954 trlgG= -0.296004 logG= -0.059974 TDE= -0.342536 logGD-logG0= -0.011836 tlogG= -0.046424 logG= -0.058260 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012184 tlogG= -0.047956 logG= -0.060140 Density= 0.216055 ETOT(band)= -0.233668 trlgG= -0.296342 logG= -0.060140 TDE= -0.343117 logGD-logG0= -0.012261 tlogG= -0.047543 logG= -0.059805 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215361 ETOT(band)= -0.232922 trlgG= -0.293307 logG= -0.058260 TDE= -0.341619 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011858 tlogG= -0.047672 logG= -0.059530 Density= 0.215857 ETOT(band)= -0.233550 trlgG= -0.295784 logG= -0.059805 TDE= -0.342796 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214103 ETOT(band)= -0.234142 trlgG= -0.295530 logG= -0.059530 TDE= -0.341949 logGD-logG0= -0.011733 tlogG= -0.048041 logG= -0.059774 logGD-logG0= -0.012082 tlogG= -0.047320 logG= -0.059401 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214686 ETOT(band)= -0.234066 trlgG= -0.295830 logG= -0.059774 TDE= -0.342293 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214415 ETOT(band)= -0.233936 trlgG= -0.295002 logG= -0.059401 TDE= -0.341704 logGD-logG0= -0.012234 tlogG= -0.047433 logG= -0.059667 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215623 ETOT(band)= -0.233589 trlgG= -0.295547 logG= -0.059667 TDE= -0.342582 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011457 tlogG= -0.047237 logG= -0.058694 Density= 0.214625 ETOT(band)= -0.233506 trlgG= -0.294411 logG= -0.058694 TDE= -0.341925 logGD-logG0= -0.012214 tlogG= -0.048027 logG= -0.060241 logGD-logG0= -0.012276 tlogG= -0.046891 logG= -0.059166 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012239 tlogG= -0.047905 logG= -0.060144 Density= 0.215926 ETOT(band)= -0.233739 trlgG= -0.296346 logG= -0.060144 TDE= -0.343052 Density= 0.215582 ETOT(band)= -0.233313 trlgG= -0.294748 logG= -0.059166 TDE= -0.342262 Density= 0.215265 ETOT(band)= -0.234091 trlgG= -0.296446 logG= -0.060241 TDE= -0.342729 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002816 tlogG= -0.010429 logG= -0.013245 Density= 0.054409 ETOT(band)= -0.057072 trlgG= -0.071113 logG= -0.013245 TDE= -0.084792 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011751 tlogG= -0.047164 logG= -0.058915 Density= 0.215301 ETOT(band)= -0.233322 trlgG= -0.294326 logG= -0.058915 TDE= -0.341953 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011682 tlogG= -0.043401 logG= -0.055083 Density= 0.216409 ETOT(band)= -0.230462 trlgG= -0.288173 logG= -0.055083 TDE= -0.340181 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005735 tlogG= -0.021570 logG= -0.027305 Density= 0.108579 ETOT(band)= -0.114874 trlgG= -0.143665 logG= -0.027305 TDE= -0.170090 logGD-logG0= -0.005823 tlogG= -0.021881 logG= -0.027704 Density= 0.108390 ETOT(band)= -0.115239 trlgG= -0.144347 logG= -0.027704 TDE= -0.170279 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005905 tlogG= -0.021824 logG= -0.027729 Density= 0.107855 ETOT(band)= -0.115528 trlgG= -0.144410 logG= -0.027729 TDE= -0.170054 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005844 tlogG= -0.021701 logG= -0.027544 Density= 0.107997 ETOT(band)= -0.115336 trlgG= -0.144100 logG= -0.027544 TDE= -0.169997 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001463 tlogG= -0.005749 logG= -0.007212 Density= 0.080690 ETOT(band)= -0.087390 trlgG= -0.110245 logG= -0.007212 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005940 tlogG= -0.022445 logG= -0.028385 Density= 0.216504 ETOT(band)= -0.231276 trlgG= -0.290273 logG= -0.028385 TDE= -0.170589 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006002 tlogG= -0.022975 logG= -0.028977 Density= 0.216366 ETOT(band)= -0.232071 trlgG= -0.292259 logG= -0.028977 TDE= -0.170923 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005914 tlogG= -0.023963 logG= -0.029877 Density= 0.214495 ETOT(band)= -0.234070 trlgG= -0.295609 logG= -0.029877 TDE= -0.171085 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005487 tlogG= -0.023377 logG= -0.028864 Density= 0.214328 ETOT(band)= -0.233351 trlgG= -0.294039 logG= -0.028864 TDE= -0.170930 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006268 tlogG= -0.023360 logG= -0.029628 logGD-logG0= -0.006031 tlogG= -0.023422 logG= -0.029453 Density= 0.216346 ETOT(band)= -0.232643 trlgG= -0.293875 logG= -0.029453 TDE= -0.171211 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215258 ETOT(band)= -0.233334 trlgG= -0.294401 logG= -0.029628 TDE= -0.170985 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001432 tlogG= -0.005470 logG= -0.006902 Density= 0.081250 ETOT(band)= -0.086352 trlgG= -0.108004 logG= -0.006902 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001478 tlogG= -0.005857 logG= -0.007335 Density= 0.080705 ETOT(band)= -0.087605 trlgG= -0.110799 logG= -0.007335 TDE= -0.042817 logGD-logG0= -0.001392 tlogG= -0.005173 logG= -0.006565 Density= 0.062581 ETOT(band)= -0.067540 trlgG= -0.084707 logG= -0.006565 TDE= -0.042365 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005280 tlogG= -0.023745 logG= -0.029025 Density= 0.213229 ETOT(band)= -0.233562 trlgG= -0.293481 logG= -0.029025 TDE= -0.170801 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001481 tlogG= -0.005985 logG= -0.007466 Density= 0.081120 ETOT(band)= -0.087545 trlgG= -0.111043 logG= -0.007466 TDE= -0.042902 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005447 tlogG= -0.023895 logG= -0.029342 Density= 0.213428 ETOT(band)= -0.233835 trlgG= -0.294203 logG= -0.029342 TDE= -0.170804 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001716 tlogG= -0.007967 logG= -0.009684 Density= 0.070914 ETOT(band)= -0.077941 trlgG= -0.098028 logG= -0.009684 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005802 tlogG= -0.022910 logG= -0.028712 Density= 0.214935 ETOT(band)= -0.232384 trlgG= -0.291382 logG= -0.028712 TDE= -0.170453 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001852 tlogG= -0.007590 logG= -0.009442 logGD-logG0= -0.001483 tlogG= -0.005941 logG= -0.007423 Density= 0.071542 ETOT(band)= -0.077343 trlgG= -0.096723 logG= -0.009442 TDE= -0.056745 Density= 0.080891 ETOT(band)= -0.087641 trlgG= -0.110993 logG= -0.007423 TDE= -0.042872 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010652 tlogG= -0.048107 logG= -0.058759 Density= 0.425829 ETOT(band)= -0.468284 trlgG= -0.589897 logG= -0.058759 TDE= -0.341822 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001441 tlogG= -0.005621 logG= -0.007062 Density= 0.080889 ETOT(band)= -0.086963 trlgG= -0.109240 logG= -0.007062 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006243 tlogG= -0.023692 logG= -0.029934 Density= 0.215563 ETOT(band)= -0.233593 trlgG= -0.295537 logG= -0.029934 TDE= -0.171279 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011599 tlogG= -0.046413 logG= -0.058011 Density= 0.429814 ETOT(band)= -0.465523 trlgG= -0.584902 logG= -0.058011 TDE= -0.341374 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011334 tlogG= -0.047660 logG= -0.058994 Density= 0.426973 ETOT(band)= -0.468312 trlgG= -0.590400 logG= -0.058994 TDE= -0.341841 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011129 tlogG= -0.046724 logG= -0.057853 Density= 0.428174 ETOT(band)= -0.466089 trlgG= -0.585255 logG= -0.057853 TDE= -0.341264 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006003 tlogG= -0.023963 logG= -0.029967 Density= 0.216546 ETOT(band)= -0.233223 trlgG= -0.295783 logG= -0.029967 TDE= -0.171591 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006024 tlogG= -0.023769 logG= -0.029793 Density= 0.216432 ETOT(band)= -0.233023 trlgG= -0.295081 logG= -0.029793 TDE= -0.171449 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006011 tlogG= -0.024007 logG= -0.030017 Density= 0.216513 ETOT(band)= -0.233327 trlgG= -0.296015 logG= -0.030017 TDE= -0.171617 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006083 tlogG= -0.023806 logG= -0.029889 Density= 0.215490 ETOT(band)= -0.233743 trlgG= -0.295852 logG= -0.029889 TDE= -0.171447 logGD-logG0= -0.005852 tlogG= -0.024163 logG= -0.030015 Density= 0.214898 ETOT(band)= -0.234144 trlgG= -0.296218 logG= -0.030015 TDE= -0.171258 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006193 tlogG= -0.023905 logG= -0.030099 Density= 0.215804 ETOT(band)= -0.233742 trlgG= -0.296230 logG= -0.030099 TDE= -0.171456 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006048 tlogG= -0.024008 logG= -0.030056 Density= 0.215845 ETOT(band)= -0.233839 trlgG= -0.296501 logG= -0.030056 TDE= -0.171600 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006080 tlogG= -0.023488 logG= -0.029567 Density= 0.215365 ETOT(band)= -0.233308 trlgG= -0.294592 logG= -0.029567 TDE= -0.171190 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005608 tlogG= -0.024012 logG= -0.029620 Density= 0.321796 ETOT(band)= -0.351071 trlgG= -0.443883 logG= -0.029620 TDE= -0.171247 logGD-logG0= -0.005906 tlogG= -0.023851 logG= -0.029757 Density= 0.215652 ETOT(band)= -0.233740 trlgG= -0.295954 logG= -0.029757 TDE= -0.171136 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006143 tlogG= -0.024129 logG= -0.030272 logGD-logG0= -0.005734 tlogG= -0.021307 logG= -0.027041 Density= 0.215878 ETOT(band)= -0.233995 trlgG= -0.296914 logG= -0.030272 TDE= -0.171633 Density= 0.162753 ETOT(band)= -0.172982 trlgG= -0.217176 logG= -0.027041 TDE= -0.169903 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011824 tlogG= -0.045641 logG= -0.057464 Density= 0.324253 ETOT(band)= -0.347927 trlgG= -0.437478 logG= -0.057464 TDE= -0.341501 logGD-logG0= -0.005517 tlogG= -0.023374 logG= -0.028890 Density= 0.321854 ETOT(band)= -0.350028 trlgG= -0.441309 logG= -0.028890 TDE= -0.170922 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012052 tlogG= -0.047800 logG= -0.059852 Density= 0.324586 ETOT(band)= -0.349893 trlgG= -0.443525 logG= -0.059852 TDE= -0.343075 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012100 tlogG= -0.047249 logG= -0.059349 Density= 0.324361 ETOT(band)= -0.349524 trlgG= -0.442182 logG= -0.059349 TDE= -0.342683 logGD-logG0= -0.005818 tlogG= -0.021357 logG= -0.027175 Density= 0.217149 ETOT(band)= -0.229177 trlgG= -0.285967 logG= -0.027175 TDE= -0.169916 logGD-logG0= -0.006078 tlogG= -0.024089 logG= -0.030168 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323300 ETOT(band)= -0.351163 trlgG= -0.445187 logG= -0.030168 TDE= -0.171446 logGD-logG0= -0.005151 tlogG= -0.024137 logG= -0.029288 Density= 0.212318 ETOT(band)= -0.234344 trlgG= -0.295416 logG= -0.029288 TDE= -0.171000 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001412 tlogG= -0.005309 logG= -0.006720 Density= 0.081606 ETOT(band)= -0.085687 trlgG= -0.106841 logG= -0.006720 TDE= -0.042467 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005424 tlogG= -0.023978 logG= -0.029401 Density= 0.212957 ETOT(band)= -0.234242 trlgG= -0.295204 logG= -0.029401 TDE= -0.170853 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011288 tlogG= -0.047779 logG= -0.059067 Density= 0.427475 ETOT(band)= -0.467865 trlgG= -0.589244 logG= -0.059067 TDE= -0.341543 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012097 tlogG= -0.046428 logG= -0.058525 Density= 0.324216 ETOT(band)= -0.348868 trlgG= -0.440098 logG= -0.058525 TDE= -0.342125 logGD-logG0= -0.005877 tlogG= -0.024168 logG= -0.030045 Density= 0.322677 ETOT(band)= -0.351188 trlgG= -0.444547 logG= -0.030045 TDE= -0.171253 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005856 tlogG= -0.023250 logG= -0.029107 Density= 0.321929 ETOT(band)= -0.350531 trlgG= -0.442155 logG= -0.029107 TDE= -0.170877 logGD-logG0= -0.001856 tlogG= -0.006876 logG= -0.008732 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011344 tlogG= -0.046617 logG= -0.057961 Density= 0.322918 ETOT(band)= -0.348989 trlgG= -0.438933 logG= -0.057961 TDE= -0.341653 logGD-logG0= -0.012345 tlogG= -0.048053 logG= -0.060398 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323484 ETOT(band)= -0.350956 trlgG= -0.444883 logG= -0.060398 TDE= -0.343068 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040871 ETOT(band)= -0.042674 trlgG= -0.053113 logG= -0.008732 TDE= -0.056470 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005334 tlogG= -0.023592 logG= -0.028926 Density= 0.212763 ETOT(band)= -0.233966 trlgG= -0.294462 logG= -0.028926 TDE= -0.170716 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005758 tlogG= -0.023887 logG= -0.029645 Density= 0.213939 ETOT(band)= -0.233983 trlgG= -0.294709 logG= -0.029645 TDE= -0.170815 logGD-logG0= -0.006177 tlogG= -0.023965 logG= -0.030142 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323899 ETOT(band)= -0.350633 trlgG= -0.444622 logG= -0.030142 TDE= -0.171505 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005674 tlogG= -0.023843 logG= -0.029517 Density= 0.213724 ETOT(band)= -0.234120 trlgG= -0.295449 logG= -0.029517 TDE= -0.171071 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005577 tlogG= -0.024013 logG= -0.029590 Density= 0.214273 ETOT(band)= -0.234061 trlgG= -0.295830 logG= -0.029590 TDE= -0.171252 logGD-logG0= -0.005621 tlogG= -0.023251 logG= -0.028872 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213643 ETOT(band)= -0.233590 trlgG= -0.293935 logG= -0.028872 TDE= -0.170767 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011315 tlogG= -0.047852 logG= -0.059167 Density= 0.428341 ETOT(band)= -0.468104 trlgG= -0.591248 logG= -0.059167 TDE= -0.342310 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006004 tlogG= -0.023199 logG= -0.029203 Density= 0.215012 ETOT(band)= -0.232935 trlgG= -0.292910 logG= -0.029203 TDE= -0.170641 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011614 tlogG= -0.044634 logG= -0.056247 Density= 0.324489 ETOT(band)= -0.346661 trlgG= -0.434480 logG= -0.056247 TDE= -0.340822 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011813 tlogG= -0.048161 logG= -0.059973 Density= 0.429613 ETOT(band)= -0.468220 trlgG= -0.591999 logG= -0.059973 TDE= -0.342356 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011930 tlogG= -0.047680 logG= -0.059610 Density= 0.428598 ETOT(band)= -0.468088 trlgG= -0.590574 logG= -0.059610 TDE= -0.341951 logGD-logG0= -0.012315 tlogG= -0.047740 logG= -0.060056 Density= 0.431063 ETOT(band)= -0.467486 trlgG= -0.591707 logG= -0.060056 TDE= -0.342714 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012149 tlogG= -0.048082 logG= -0.060231 Density= 0.430457 ETOT(band)= -0.468058 trlgG= -0.592428 logG= -0.060231 TDE= -0.342698 logGD-logG0= -0.012413 tlogG= -0.047708 logG= -0.060121 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431406 ETOT(band)= -0.467432 trlgG= -0.592061 logG= -0.060121 TDE= -0.342821 logGD-logG0= -0.011172 tlogG= -0.046620 logG= -0.057792 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011981 tlogG= -0.047969 logG= -0.059949 Density= 0.428386 ETOT(band)= -0.466807 trlgG= -0.587857 logG= -0.057792 TDE= -0.341679 Density= 0.429516 ETOT(band)= -0.468181 trlgG= -0.591647 logG= -0.059949 TDE= -0.342197 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011982 tlogG= -0.046942 logG= -0.058924 Density= 0.430175 ETOT(band)= -0.466435 trlgG= -0.587596 logG= -0.058924 TDE= -0.341666 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011940 tlogG= -0.048233 logG= -0.060173 Density= 0.430352 ETOT(band)= -0.468228 trlgG= -0.592756 logG= -0.060173 TDE= -0.342573 logGD-logG0= -0.011670 tlogG= -0.047572 logG= -0.059242 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428907 ETOT(band)= -0.467436 trlgG= -0.589611 logG= -0.059242 TDE= -0.341995 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011484 tlogG= -0.047865 logG= -0.059350 Density= 0.429443 ETOT(band)= -0.467884 trlgG= -0.591203 logG= -0.059350 TDE= -0.342296 logGD-logG0= -0.012334 tlogG= -0.048033 logG= -0.060367 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431649 ETOT(band)= -0.467715 trlgG= -0.593048 logG= -0.060367 TDE= -0.343086 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011905 tlogG= -0.047582 logG= -0.059487 Density= 0.430312 ETOT(band)= -0.467080 trlgG= -0.589525 logG= -0.059487 TDE= -0.342111 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012378 tlogG= -0.047279 logG= -0.059657 Density= 0.430788 ETOT(band)= -0.467061 trlgG= -0.590241 logG= -0.059657 TDE= -0.342330 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005668 tlogG= -0.022333 logG= -0.028001 Density= 0.323079 ETOT(band)= -0.347961 trlgG= -0.436554 logG= -0.028001 TDE= -0.170270 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011485 tlogG= -0.044637 logG= -0.056122 Density= 0.431876 ETOT(band)= -0.462064 trlgG= -0.578131 logG= -0.056122 TDE= -0.340459 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001969 tlogG= -0.007119 logG= -0.009088 Density= 0.072273 ETOT(band)= -0.076479 trlgG= -0.095404 logG= -0.009088 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005783 tlogG= -0.022298 logG= -0.028081 Density= 0.214398 ETOT(band)= -0.232424 trlgG= -0.291150 logG= -0.028081 TDE= -0.170189 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005752 tlogG= -0.022479 logG= -0.028231 Density= 0.215158 ETOT(band)= -0.231652 trlgG= -0.289745 logG= -0.028231 TDE= -0.170202 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005628 tlogG= -0.022333 logG= -0.027961 Density= 0.215165 ETOT(band)= -0.231939 trlgG= -0.290789 logG= -0.027961 TDE= -0.170276 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005911 tlogG= -0.021886 logG= -0.027797 Density= 0.216760 ETOT(band)= -0.230279 trlgG= -0.288177 logG= -0.027797 TDE= -0.170248 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005775 tlogG= -0.021212 logG= -0.026987 Density= 0.216476 ETOT(band)= -0.230035 trlgG= -0.287229 logG= -0.026987 TDE= -0.169822 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.793614222163 eV TrLogG= -409.727251055845 eV Ratio to renormalize= 0.999337952258 rho-rho_expected= 0.014574699474 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964553289532362 0.940192102577014 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.005934 tlogG= -0.023195 logG= -0.029128 Density= 0.108245 ETOT(band)= -0.116141 trlgG= -0.146617 logG= -0.029128 TDE= -0.171054 logGD-logG0= -0.005399 tlogG= -0.024030 logG= -0.029429 Density= 0.106448 ETOT(band)= -0.117075 trlgG= -0.147566 logG= -0.029429 TDE= -0.170813 logGD-logG0= -0.005950 tlogG= -0.022858 logG= -0.028808 Density= 0.107668 ETOT(band)= -0.116230 trlgG= -0.146095 logG= -0.028808 TDE= -0.170566 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006134 tlogG= -0.023665 logG= -0.029800 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107290 ETOT(band)= -0.116931 trlgG= -0.147604 logG= -0.029800 TDE= -0.170896 logGD-logG0= -0.005843 tlogG= -0.023629 logG= -0.029472 Density= 0.107036 ETOT(band)= -0.116858 trlgG= -0.147056 logG= -0.029472 TDE= -0.170551 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005560 tlogG= -0.023667 logG= -0.029227 Density= 0.107032 ETOT(band)= -0.116769 trlgG= -0.147250 logG= -0.029227 TDE= -0.170987 logGD-logG0= -0.005588 tlogG= -0.022833 logG= -0.028421 Density= 0.107349 ETOT(band)= -0.116169 trlgG= -0.145816 logG= -0.028421 TDE= -0.170517 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002884 tlogG= -0.010832 logG= -0.013716 Density= 0.054087 ETOT(band)= -0.057560 trlgG= -0.071923 logG= -0.013716 TDE= -0.084972 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000231 tlogG= -0.000852 logG= -0.001082 Density= 0.004545 ETOT(band)= -0.004731 trlgG= -0.005884 logG= -0.001082 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001771 tlogG= -0.007805 logG= -0.009576 logGD-logG0= -0.003025 tlogG= -0.012023 logG= -0.015048 Density= 0.053792 ETOT(band)= -0.058499 trlgG= -0.074062 logG= -0.015048 TDE= -0.085633 Density= 0.035511 ETOT(band)= -0.038900 trlgG= -0.048864 logG= -0.009576 TDE= -0.056860 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001693 tlogG= -0.008038 logG= -0.009731 Density= 0.035333 ETOT(band)= -0.039049 trlgG= -0.049230 logG= -0.009731 TDE= -0.056983 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002755 tlogG= -0.011438 logG= -0.014194 logGD-logG0= -0.002845 tlogG= -0.012072 logG= -0.014917 Density= 0.053762 ETOT(band)= -0.058037 trlgG= -0.072881 logG= -0.014194 TDE= -0.085292 Density= 0.053613 ETOT(band)= -0.058509 trlgG= -0.074007 logG= -0.014917 TDE= -0.085621 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002750 tlogG= -0.011874 logG= -0.014624 Density= 0.053590 ETOT(band)= -0.058365 trlgG= -0.073646 logG= -0.014624 TDE= -0.085541 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005991 tlogG= -0.023742 logG= -0.029733 Density= 0.108232 ETOT(band)= -0.116480 trlgG= -0.147572 logG= -0.029733 TDE= -0.171398 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.023957 logG= -0.029164 logGD-logG0= -0.005181 tlogG= -0.024034 logG= -0.029215 Density= 0.106177 ETOT(band)= -0.117085 trlgG= -0.147560 logG= -0.029215 TDE= -0.170887 Density= 0.106229 ETOT(band)= -0.117042 trlgG= -0.147446 logG= -0.029164 TDE= -0.170850 logGD-logG0= -0.005985 tlogG= -0.023409 logG= -0.029394 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002978 tlogG= -0.011973 logG= -0.014952 Density= 0.108184 ETOT(band)= -0.116317 trlgG= -0.147037 logG= -0.029394 TDE= -0.171177 Density= 0.054165 ETOT(band)= -0.058266 trlgG= -0.073922 logG= -0.014952 TDE= -0.085774 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005870 tlogG= -0.022437 logG= -0.028307 Density= 0.108251 ETOT(band)= -0.115675 trlgG= -0.145314 logG= -0.028307 TDE= -0.170575 logGD-logG0= -0.005473 tlogG= -0.023189 logG= -0.028662 Density= 0.106792 ETOT(band)= -0.116548 trlgG= -0.146235 logG= -0.028662 TDE= -0.170419 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005941 tlogG= -0.022962 logG= -0.028902 logGD-logG0= -0.005977 tlogG= -0.023928 logG= -0.029906 Density= 0.108284 ETOT(band)= -0.116555 trlgG= -0.147849 logG= -0.029906 TDE= -0.171528 Density= 0.108185 ETOT(band)= -0.116047 trlgG= -0.146262 logG= -0.028902 TDE= -0.170895 logGD-logG0= -0.005559 tlogG= -0.022973 logG= -0.028532 logGD-logG0= -0.006120 tlogG= -0.024054 logG= -0.030174 logGD-logG0= -0.005583 tlogG= -0.023484 logG= -0.029067 Density= 0.106830 ETOT(band)= -0.116738 trlgG= -0.146717 logG= -0.029067 TDE= -0.170515 logGD-logG0= -0.005702 tlogG= -0.022832 logG= -0.028534 Density= 0.107798 ETOT(band)= -0.116027 trlgG= -0.145683 logG= -0.028534 TDE= -0.170493 Density= 0.107700 ETOT(band)= -0.117000 trlgG= -0.148267 logG= -0.030174 TDE= -0.171389 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005785 tlogG= -0.022150 logG= -0.027935 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106927 ETOT(band)= -0.116419 trlgG= -0.145971 logG= -0.028532 TDE= -0.170352 Density= 0.108405 ETOT(band)= -0.115371 trlgG= -0.144706 logG= -0.027935 TDE= -0.170415 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006132 tlogG= -0.024064 logG= -0.030196 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005853 tlogG= -0.022390 logG= -0.028243 Density= 0.107685 ETOT(band)= -0.115898 trlgG= -0.145201 logG= -0.028243 TDE= -0.170246 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107945 ETOT(band)= -0.116911 trlgG= -0.148329 logG= -0.030196 TDE= -0.171549 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.003049 tlogG= -0.011977 logG= -0.015026 Density= 0.054011 ETOT(band)= -0.058385 trlgG= -0.074044 logG= -0.015026 TDE= -0.085746 logGD-logG0= -0.006165 tlogG= -0.024110 logG= -0.030275 logGD-logG0= -0.005840 tlogG= -0.024074 logG= -0.029914 Density= 0.107437 ETOT(band)= -0.116963 trlgG= -0.147895 logG= -0.029914 TDE= -0.171147 Density= 0.107868 ETOT(band)= -0.116997 trlgG= -0.148454 logG= -0.030275 TDE= -0.171557 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005676 tlogG= -0.023670 logG= -0.029346 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107434 ETOT(band)= -0.116653 trlgG= -0.147155 logG= -0.029346 TDE= -0.170973 logGD-logG0= -0.005966 tlogG= -0.023584 logG= -0.029550 logGD-logG0= -0.005865 tlogG= -0.022713 logG= -0.028579 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108297 ETOT(band)= -0.115811 trlgG= -0.145749 logG= -0.028579 TDE= -0.170761 Density= 0.108257 ETOT(band)= -0.116364 trlgG= -0.147281 logG= -0.029550 TDE= -0.171301 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005964 tlogG= -0.023850 logG= -0.029814 Density= 0.108304 ETOT(band)= -0.116491 trlgG= -0.147701 logG= -0.029814 TDE= -0.171481 logGD-logG0= -0.006152 tlogG= -0.023885 logG= -0.030037 Density= 0.107809 ETOT(band)= -0.116868 trlgG= -0.148052 logG= -0.030037 TDE= -0.171364 logGD-logG0= -0.005732 tlogG= -0.024050 logG= -0.029781 Density= 0.107115 ETOT(band)= -0.117022 trlgG= -0.147924 logG= -0.029781 TDE= -0.171149 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005752 tlogG= -0.023879 logG= -0.029631 logGD-logG0= -0.006075 tlogG= -0.023949 logG= -0.030024 Density= 0.106816 ETOT(band)= -0.117038 trlgG= -0.147672 logG= -0.029631 TDE= -0.170899 Density= 0.107502 ETOT(band)= -0.116985 trlgG= -0.147997 logG= -0.030024 TDE= -0.171171 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005531 tlogG= -0.023653 logG= -0.029184 Density= 0.106656 ETOT(band)= -0.116883 trlgG= -0.147147 logG= -0.029184 TDE= -0.170742 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001904 tlogG= -0.006985 logG= -0.008889 Density= 0.036210 ETOT(band)= -0.038108 trlgG= -0.047503 logG= -0.008889 TDE= -0.056532 logGD-logG0= -0.006142 tlogG= -0.023179 logG= -0.029321 Density= 0.107737 ETOT(band)= -0.116478 trlgG= -0.146904 logG= -0.029321 TDE= -0.170896 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006119 tlogG= -0.023848 logG= -0.029967 Density= 0.107972 ETOT(band)= -0.116738 trlgG= -0.147945 logG= -0.029967 TDE= -0.171409 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010816 tlogG= -0.047599 logG= -0.058415 Density= 0.213043 ETOT(band)= -0.233887 trlgG= -0.294433 logG= -0.058415 TDE= -0.341443 logGD-logG0= -0.011159 tlogG= -0.045723 logG= -0.056882 Density= 0.215122 ETOT(band)= -0.232174 trlgG= -0.291528 logG= -0.056882 TDE= -0.341099 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011482 tlogG= -0.048206 logG= -0.059688 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011446 tlogG= -0.045553 logG= -0.056999 logGD-logG0= -0.006106 tlogG= -0.024036 logG= -0.030142 Density= 0.108004 ETOT(band)= -0.116844 trlgG= -0.148240 logG= -0.030142 TDE= -0.171544 Density= 0.214519 ETOT(band)= -0.234004 trlgG= -0.295921 logG= -0.059688 TDE= -0.342388 logGD-logG0= -0.006157 tlogG= -0.023558 logG= -0.029715 Density= 0.107856 ETOT(band)= -0.116641 trlgG= -0.147532 logG= -0.029715 TDE= -0.171190 logGD-logG0= -0.011355 tlogG= -0.047121 logG= -0.058476 logGD-logG0= -0.011633 tlogG= -0.047862 logG= -0.059495 Density= 0.214470 ETOT(band)= -0.232519 trlgG= -0.291711 logG= -0.056999 TDE= -0.340843 logGD-logG0= -0.011238 tlogG= -0.047901 logG= -0.059140 Density= 0.213392 ETOT(band)= -0.234097 trlgG= -0.295070 logG= -0.059140 TDE= -0.341527 Density= 0.214087 ETOT(band)= -0.234039 trlgG= -0.295612 logG= -0.059495 TDE= -0.342059 Density= 0.213881 ETOT(band)= -0.233595 trlgG= -0.294352 logG= -0.058476 TDE= -0.341716 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011121 tlogG= -0.047409 logG= -0.058531 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214424 ETOT(band)= -0.233429 trlgG= -0.294478 logG= -0.058531 TDE= -0.342055 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011504 tlogG= -0.047126 logG= -0.058630 Density= 0.213893 ETOT(band)= -0.233639 trlgG= -0.294143 logG= -0.058630 TDE= -0.341357 logGD-logG0= -0.012198 tlogG= -0.047711 logG= -0.059909 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214875 ETOT(band)= -0.233932 trlgG= -0.295748 logG= -0.059909 TDE= -0.342170 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011849 tlogG= -0.046378 logG= -0.058228 logGD-logG0= -0.012063 tlogG= -0.047751 logG= -0.059814 Density= 0.214773 ETOT(band)= -0.233924 trlgG= -0.295579 logG= -0.059814 TDE= -0.342046 Density= 0.215324 ETOT(band)= -0.232811 trlgG= -0.293145 logG= -0.058228 TDE= -0.341470 logGD-logG0= -0.012148 tlogG= -0.048046 logG= -0.060194 Density= 0.215188 ETOT(band)= -0.233988 trlgG= -0.296255 logG= -0.060194 TDE= -0.342546 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012088 tlogG= -0.047279 logG= -0.059367 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012212 tlogG= -0.047897 logG= -0.060109 Density= 0.216011 ETOT(band)= -0.233560 trlgG= -0.296183 logG= -0.060109 TDE= -0.342967 logGD-logG0= -0.012334 tlogG= -0.048112 logG= -0.060446 Density= 0.214379 ETOT(band)= -0.233822 trlgG= -0.294837 logG= -0.059367 TDE= -0.341556 Density= 0.215540 ETOT(band)= -0.234007 trlgG= -0.296713 logG= -0.060446 TDE= -0.342927 logGD-logG0= -0.011537 tlogG= -0.045614 logG= -0.057151 Density= 0.215254 ETOT(band)= -0.232250 trlgG= -0.291515 logG= -0.057151 TDE= -0.340883 logGD-logG0= -0.011995 tlogG= -0.047945 logG= -0.059941 Density= 0.215190 ETOT(band)= -0.233843 trlgG= -0.295839 logG= -0.059941 TDE= -0.342385 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012227 tlogG= -0.047981 logG= -0.060208 Density= 0.215225 ETOT(band)= -0.233979 trlgG= -0.296281 logG= -0.060208 TDE= -0.342577 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005746 tlogG= -0.021545 logG= -0.027291 logGD-logG0= -0.012289 tlogG= -0.047485 logG= -0.059773 Density= 0.108560 ETOT(band)= -0.114821 trlgG= -0.143590 logG= -0.027291 TDE= -0.170020 logGD-logG0= -0.011473 tlogG= -0.047188 logG= -0.058660 Density= 0.215814 ETOT(band)= -0.233442 trlgG= -0.295624 logG= -0.059773 TDE= -0.342646 Density= 0.214590 ETOT(band)= -0.233392 trlgG= -0.294249 logG= -0.058660 TDE= -0.341779 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011868 tlogG= -0.047627 logG= -0.059495 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214068 ETOT(band)= -0.234026 trlgG= -0.295365 logG= -0.059495 TDE= -0.341801 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012245 tlogG= -0.047390 logG= -0.059634 Density= 0.215582 ETOT(band)= -0.233479 trlgG= -0.295385 logG= -0.059634 TDE= -0.342431 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012267 tlogG= -0.047846 logG= -0.060113 Density= 0.215883 ETOT(band)= -0.233631 trlgG= -0.296185 logG= -0.060113 TDE= -0.342902 logGD-logG0= -0.005662 tlogG= -0.020970 logG= -0.026632 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108753 ETOT(band)= -0.114237 trlgG= -0.142432 logG= -0.026632 TDE= -0.169616 logGD-logG0= -0.012287 tlogG= -0.046847 logG= -0.059134 logGD-logG0= -0.011764 tlogG= -0.047118 logG= -0.058882 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215541 ETOT(band)= -0.233203 trlgG= -0.294586 logG= -0.059134 TDE= -0.342113 Density= 0.215262 ETOT(band)= -0.233211 trlgG= -0.294163 logG= -0.058882 TDE= -0.341803 logGD-logG0= -0.011748 tlogG= -0.047992 logG= -0.059740 Density= 0.214649 ETOT(band)= -0.233952 trlgG= -0.295668 logG= -0.059740 TDE= -0.342147 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001972 tlogG= -0.007299 logG= -0.009271 Density= 0.035860 ETOT(band)= -0.038554 trlgG= -0.048165 logG= -0.009271 TDE= -0.056639 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002822 tlogG= -0.010417 logG= -0.013238 Density= 0.054399 ETOT(band)= -0.057046 trlgG= -0.071076 logG= -0.013238 TDE= -0.084757 logGD-logG0= -0.005914 tlogG= -0.021800 logG= -0.027714 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107838 ETOT(band)= -0.115472 trlgG= -0.144332 logG= -0.027714 TDE= -0.169982 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005835 tlogG= -0.021855 logG= -0.027690 Density= 0.108371 ETOT(band)= -0.115185 trlgG= -0.144271 logG= -0.027690 TDE= -0.170208 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005853 tlogG= -0.021677 logG= -0.027530 Density= 0.107980 ETOT(band)= -0.115281 trlgG= -0.144022 logG= -0.027530 TDE= -0.169926 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011700 tlogG= -0.043354 logG= -0.055054 Density= 0.216373 ETOT(band)= -0.230353 trlgG= -0.288020 logG= -0.055054 TDE= -0.340038 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.006044 tlogG= -0.023394 logG= -0.029438 Density= 0.216304 ETOT(band)= -0.232536 trlgG= -0.293719 logG= -0.029438 TDE= -0.171137 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005922 tlogG= -0.023938 logG= -0.029860 Density= 0.214458 ETOT(band)= -0.233956 trlgG= -0.295443 logG= -0.029860 TDE= -0.171012 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.023956 logG= -0.029383 Density= 0.212929 ETOT(band)= -0.234121 trlgG= -0.295038 logG= -0.029383 TDE= -0.170781 logGD-logG0= -0.005760 tlogG= -0.023868 logG= -0.029628 Density= 0.213906 ETOT(band)= -0.233866 trlgG= -0.294540 logG= -0.029628 TDE= -0.170741 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006006 tlogG= -0.023180 logG= -0.029186 Density= 0.214977 ETOT(band)= -0.232823 trlgG= -0.292746 logG= -0.029186 TDE= -0.170566 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005495 tlogG= -0.023352 logG= -0.028847 Density= 0.214295 ETOT(band)= -0.233235 trlgG= -0.293874 logG= -0.028847 TDE= -0.170857 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.005463 logG= -0.006898 Density= 0.081236 ETOT(band)= -0.086312 trlgG= -0.107947 logG= -0.006898 TDE= -0.042560 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005637 tlogG= -0.022308 logG= -0.027945 Density= 0.215132 ETOT(band)= -0.231826 trlgG= -0.290628 logG= -0.027945 TDE= -0.170203 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001718 tlogG= -0.007960 logG= -0.009678 Density= 0.070906 ETOT(band)= -0.077900 trlgG= -0.097971 logG= -0.009678 TDE= -0.056945 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.024114 logG= -0.029270 Density= 0.212293 ETOT(band)= -0.234219 trlgG= -0.295244 logG= -0.029270 TDE= -0.170926 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001486 tlogG= -0.005934 logG= -0.007420 Density= 0.080875 ETOT(band)= -0.087600 trlgG= -0.110933 logG= -0.007420 TDE= -0.042853 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.023570 logG= -0.028908 Density= 0.212737 ETOT(band)= -0.233844 trlgG= -0.294292 logG= -0.028908 TDE= -0.170643 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001481 tlogG= -0.005850 logG= -0.007331 logGD-logG0= -0.001395 tlogG= -0.005166 logG= -0.006562 Density= 0.062571 ETOT(band)= -0.067506 trlgG= -0.084660 logG= -0.006562 TDE= -0.042347 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080691 ETOT(band)= -0.087563 trlgG= -0.110738 logG= -0.007331 TDE= -0.042799 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001860 tlogG= -0.006868 logG= -0.008727 Density= 0.040864 ETOT(band)= -0.042655 trlgG= -0.053086 logG= -0.008727 TDE= -0.056447 logGD-logG0= -0.005451 tlogG= -0.023874 logG= -0.029325 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213398 ETOT(band)= -0.233716 trlgG= -0.294039 logG= -0.029325 TDE= -0.170732 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.023723 logG= -0.029007 Density= 0.213201 ETOT(band)= -0.233441 trlgG= -0.293313 logG= -0.029007 TDE= -0.170728 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001485 tlogG= -0.005978 logG= -0.007463 logGD-logG0= -0.005806 tlogG= -0.022890 logG= -0.028696 Density= 0.214902 ETOT(band)= -0.232270 trlgG= -0.291221 logG= -0.028696 TDE= -0.170381 Density= 0.081103 ETOT(band)= -0.087505 trlgG= -0.110984 logG= -0.007463 TDE= -0.042883 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001466 tlogG= -0.005743 logG= -0.007208 Density= 0.080677 ETOT(band)= -0.087348 trlgG= -0.110184 logG= -0.007208 TDE= -0.042734 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001444 tlogG= -0.005614 logG= -0.007059 Density= 0.080875 ETOT(band)= -0.086922 trlgG= -0.109180 logG= -0.007059 TDE= -0.042658 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006062 tlogG= -0.023979 logG= -0.030041 Density= 0.215802 ETOT(band)= -0.233730 trlgG= -0.296339 logG= -0.030041 TDE= -0.171525 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006097 tlogG= -0.023777 logG= -0.029874 Density= 0.215449 ETOT(band)= -0.233633 trlgG= -0.295692 logG= -0.029874 TDE= -0.171373 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006024 tlogG= -0.023978 logG= -0.030002 Density= 0.216468 ETOT(band)= -0.233220 trlgG= -0.295860 logG= -0.030002 TDE= -0.171543 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006085 tlogG= -0.023466 logG= -0.029552 Density= 0.215326 ETOT(band)= -0.233197 trlgG= -0.294432 logG= -0.029552 TDE= -0.171116 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012079 tlogG= -0.047743 logG= -0.059822 Density= 0.324519 ETOT(band)= -0.349733 trlgG= -0.443290 logG= -0.059822 TDE= -0.342926 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006038 tlogG= -0.023740 logG= -0.029778 Density= 0.216388 ETOT(band)= -0.232917 trlgG= -0.294925 logG= -0.029778 TDE= -0.171375 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006017 tlogG= -0.023935 logG= -0.029952 Density= 0.216501 ETOT(band)= -0.233117 trlgG= -0.295628 logG= -0.029952 TDE= -0.171516 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006156 tlogG= -0.024099 logG= -0.030256 Density= 0.215834 ETOT(band)= -0.233885 trlgG= -0.296752 logG= -0.030256 TDE= -0.171557 logGD-logG0= -0.001854 tlogG= -0.007583 logG= -0.009437 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071532 ETOT(band)= -0.077304 trlgG= -0.096669 logG= -0.009437 TDE= -0.056720 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005525 tlogG= -0.023349 logG= -0.028874 Density= 0.321803 ETOT(band)= -0.349855 trlgG= -0.441064 logG= -0.028874 TDE= -0.170849 logGD-logG0= -0.005860 tlogG= -0.024138 logG= -0.029998 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214859 ETOT(band)= -0.234031 trlgG= -0.296055 logG= -0.029998 TDE= -0.171185 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001973 tlogG= -0.007110 logG= -0.009083 logGD-logG0= -0.005913 tlogG= -0.023827 logG= -0.029740 Density= 0.215610 ETOT(band)= -0.233630 trlgG= -0.295792 logG= -0.029740 TDE= -0.171060 Density= 0.072260 ETOT(band)= -0.076443 trlgG= -0.095354 logG= -0.009083 TDE= -0.056607 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012127 tlogG= -0.047192 logG= -0.059319 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324297 ETOT(band)= -0.349363 trlgG= -0.441946 logG= -0.059319 TDE= -0.342534 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006207 tlogG= -0.023875 logG= -0.030083 logGD-logG0= -0.011836 tlogG= -0.045597 logG= -0.057433 Density= 0.215761 ETOT(band)= -0.233633 trlgG= -0.296069 logG= -0.030083 TDE= -0.171381 Density= 0.324195 ETOT(band)= -0.347764 trlgG= -0.437242 logG= -0.057433 TDE= -0.341355 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005949 tlogG= -0.022421 logG= -0.028370 logGD-logG0= -0.011359 tlogG= -0.046569 logG= -0.057928 Density= 0.216466 ETOT(band)= -0.231168 trlgG= -0.290118 logG= -0.028370 TDE= -0.170516 logGD-logG0= -0.005792 tlogG= -0.022273 logG= -0.028066 Density= 0.214367 ETOT(band)= -0.232308 trlgG= -0.290986 logG= -0.028066 TDE= -0.170116 Density= 0.322865 ETOT(band)= -0.348820 trlgG= -0.438694 logG= -0.057928 TDE= -0.341509 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005616 tlogG= -0.023987 logG= -0.029603 Density= 0.321741 ETOT(band)= -0.350899 trlgG= -0.443639 logG= -0.029603 TDE= -0.171174 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006084 tlogG= -0.024067 logG= -0.030151 Density= 0.323237 ETOT(band)= -0.350997 trlgG= -0.444941 logG= -0.030151 TDE= -0.171370 logGD-logG0= -0.010659 tlogG= -0.048063 logG= -0.058722 Density= 0.425773 ETOT(band)= -0.468041 trlgG= -0.589562 logG= -0.058722 TDE= -0.341676 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005757 tlogG= -0.022457 logG= -0.028215 Density= 0.215125 ETOT(band)= -0.231538 trlgG= -0.289585 logG= -0.028215 TDE= -0.170129 logGD-logG0= -0.006257 tlogG= -0.023662 logG= -0.029918 Density= 0.215522 ETOT(band)= -0.233483 trlgG= -0.295375 logG= -0.029918 TDE= -0.171203 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011137 tlogG= -0.046681 logG= -0.057818 Density= 0.428113 ETOT(band)= -0.465855 trlgG= -0.584924 logG= -0.057818 TDE= -0.341116 logGD-logG0= -0.006014 tlogG= -0.022947 logG= -0.028961 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216326 ETOT(band)= -0.231963 trlgG= -0.292102 logG= -0.028961 TDE= -0.170850 logGD-logG0= -0.005885 tlogG= -0.024144 logG= -0.030028 logGD-logG0= -0.012363 tlogG= -0.048002 logG= -0.060365 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322617 ETOT(band)= -0.351020 trlgG= -0.444302 logG= -0.030028 TDE= -0.171180 Density= 0.323421 ETOT(band)= -0.350791 trlgG= -0.444638 logG= -0.060365 TDE= -0.342917 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005585 tlogG= -0.023987 logG= -0.029573 Density= 0.214238 ETOT(band)= -0.233945 trlgG= -0.295665 logG= -0.029573 TDE= -0.171179 logGD-logG0= -0.012121 tlogG= -0.046373 logG= -0.058494 Density= 0.324155 ETOT(band)= -0.348706 trlgG= -0.439861 logG= -0.058494 TDE= -0.341978 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005746 tlogG= -0.021282 logG= -0.027028 Density= 0.162722 ETOT(band)= -0.172903 trlgG= -0.217063 logG= -0.027028 TDE= -0.169832 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011338 tlogG= -0.047621 logG= -0.058959 Density= 0.426910 ETOT(band)= -0.468075 trlgG= -0.590062 logG= -0.058959 TDE= -0.341693 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011292 tlogG= -0.047740 logG= -0.059031 Density= 0.427410 ETOT(band)= -0.467630 trlgG= -0.588910 logG= -0.059031 TDE= -0.341395 logGD-logG0= -0.005630 tlogG= -0.023225 logG= -0.028855 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005863 tlogG= -0.023227 logG= -0.029090 logGD-logG0= -0.005683 tlogG= -0.023817 logG= -0.029500 Density= 0.213692 ETOT(band)= -0.234002 trlgG= -0.295281 logG= -0.029500 TDE= -0.170997 Density= 0.321875 ETOT(band)= -0.350360 trlgG= -0.441910 logG= -0.029090 TDE= -0.170803 logGD-logG0= -0.006191 tlogG= -0.023935 logG= -0.030126 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323834 ETOT(band)= -0.350470 trlgG= -0.444382 logG= -0.030126 TDE= -0.171429 Density= 0.213613 ETOT(band)= -0.233472 trlgG= -0.293767 logG= -0.028855 TDE= -0.170693 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011331 tlogG= -0.047801 logG= -0.059132 Density= 0.428272 ETOT(band)= -0.467872 trlgG= -0.590918 logG= -0.059132 TDE= -0.342162 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006273 tlogG= -0.023339 logG= -0.029612 Density= 0.215219 ETOT(band)= -0.233223 trlgG= -0.294238 logG= -0.029612 TDE= -0.170910 logGD-logG0= -0.011614 tlogG= -0.046363 logG= -0.057978 Density= 0.429746 ETOT(band)= -0.465296 trlgG= -0.584581 logG= -0.057978 TDE= -0.341229 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011942 tlogG= -0.047633 logG= -0.059575 Density= 0.428527 ETOT(band)= -0.467858 trlgG= -0.590245 logG= -0.059575 TDE= -0.341803 logGD-logG0= -0.011828 tlogG= -0.048111 logG= -0.059939 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429536 ETOT(band)= -0.467994 trlgG= -0.591671 logG= -0.059939 TDE= -0.342210 logGD-logG0= -0.011954 tlogG= -0.048186 logG= -0.060140 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430271 ETOT(band)= -0.468004 trlgG= -0.592425 logG= -0.060140 TDE= -0.342420 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005922 tlogG= -0.021860 logG= -0.027782 Density= 0.216722 ETOT(band)= -0.230171 trlgG= -0.288025 logG= -0.027782 TDE= -0.170177 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011189 tlogG= -0.046569 logG= -0.057758 Density= 0.428321 ETOT(band)= -0.466574 trlgG= -0.587527 logG= -0.057758 TDE= -0.341532 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011996 tlogG= -0.047920 logG= -0.059915 Density= 0.429439 ETOT(band)= -0.467955 trlgG= -0.591314 logG= -0.059915 TDE= -0.342047 logGD-logG0= -0.012162 tlogG= -0.048036 logG= -0.060198 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430376 ETOT(band)= -0.467835 trlgG= -0.592097 logG= -0.060198 TDE= -0.342546 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011996 tlogG= -0.046895 logG= -0.058891 logGD-logG0= -0.012327 tlogG= -0.047695 logG= -0.060023 Density= 0.430101 ETOT(band)= -0.466210 trlgG= -0.587268 logG= -0.058891 TDE= -0.341515 Density= 0.430980 ETOT(band)= -0.467266 trlgG= -0.591381 logG= -0.060023 TDE= -0.342563 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012441 tlogG= -0.047648 logG= -0.060089 Density= 0.431322 ETOT(band)= -0.467213 trlgG= -0.591738 logG= -0.060089 TDE= -0.342670 logGD-logG0= -0.011686 tlogG= -0.047521 logG= -0.059207 Density= 0.428837 ETOT(band)= -0.467206 trlgG= -0.589285 logG= -0.059207 TDE= -0.341849 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005829 tlogG= -0.021331 logG= -0.027161 Density= 0.217110 ETOT(band)= -0.229071 trlgG= -0.285818 logG= -0.027161 TDE= -0.169845 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011919 tlogG= -0.047535 logG= -0.059453 Density= 0.430235 ETOT(band)= -0.466856 trlgG= -0.589197 logG= -0.059453 TDE= -0.341960 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012362 tlogG= -0.047973 logG= -0.060335 Density= 0.431563 ETOT(band)= -0.467497 trlgG= -0.592725 logG= -0.060335 TDE= -0.342935 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012390 tlogG= -0.047234 logG= -0.059625 logGD-logG0= -0.005677 tlogG= -0.022309 logG= -0.027986 Density= 0.323027 ETOT(band)= -0.347792 trlgG= -0.436315 logG= -0.027986 TDE= -0.170198 Density= 0.430708 ETOT(band)= -0.466840 trlgG= -0.589915 logG= -0.059625 TDE= -0.342179 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011500 tlogG= -0.047816 logG= -0.059316 Density= 0.429368 ETOT(band)= -0.467657 trlgG= -0.590881 logG= -0.059316 TDE= -0.342151 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011629 tlogG= -0.044588 logG= -0.056216 Density= 0.324433 ETOT(band)= -0.346498 trlgG= -0.434247 logG= -0.056216 TDE= -0.340678 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001414 tlogG= -0.005302 logG= -0.006717 Density= 0.081591 ETOT(band)= -0.085648 trlgG= -0.106786 logG= -0.006717 TDE= -0.042449 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005787 tlogG= -0.021187 logG= -0.026973 Density= 0.216439 ETOT(band)= -0.229926 trlgG= -0.287076 logG= -0.026973 TDE= -0.169752 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011502 tlogG= -0.044588 logG= -0.056091 Density= 0.431805 ETOT(band)= -0.461842 trlgG= -0.577818 logG= -0.056091 TDE= -0.340314 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.636759903998 eV TrLogG= -409.475980891201 eV Ratio to renormalize= 0.999510591434 rho-rho_expected= 0.010772260499 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 58) Finished k-point number 118 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964472488988990 0.940036511928249 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000231 tlogG= -0.000851 logG= -0.001082 Density= 0.004544 ETOT(band)= -0.004730 trlgG= -0.005882 logG= -0.001082 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.003026 tlogG= -0.012017 logG= -0.015043 Density= 0.053787 ETOT(band)= -0.058485 trlgG= -0.074041 logG= -0.015043 TDE= -0.085614 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002847 tlogG= -0.012066 logG= -0.014913 Density= 0.053609 ETOT(band)= -0.058494 trlgG= -0.073986 logG= -0.014913 TDE= -0.085602 logGD-logG0= -0.002757 tlogG= -0.011432 logG= -0.014189 Density= 0.053758 ETOT(band)= -0.058022 trlgG= -0.072860 logG= -0.014189 TDE= -0.085273 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002752 tlogG= -0.011867 logG= -0.014620 logGD-logG0= -0.005991 tlogG= -0.023395 logG= -0.029386 Density= 0.053585 ETOT(band)= -0.058350 trlgG= -0.073625 logG= -0.014620 TDE= -0.085522 logGD-logG0= -0.005947 tlogG= -0.022948 logG= -0.028894 Density= 0.108173 ETOT(band)= -0.116289 trlgG= -0.146997 logG= -0.029386 TDE= -0.171140 logGD-logG0= -0.005876 tlogG= -0.022423 logG= -0.028299 Density= 0.108241 ETOT(band)= -0.115647 trlgG= -0.145275 logG= -0.028299 TDE= -0.170539 Density= 0.108175 ETOT(band)= -0.116019 trlgG= -0.146222 logG= -0.028894 TDE= -0.170858 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002982 tlogG= -0.011966 logG= -0.014948 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054159 ETOT(band)= -0.058252 trlgG= -0.073902 logG= -0.014948 TDE= -0.085756 logGD-logG0= -0.005997 tlogG= -0.023727 logG= -0.029725 Density= 0.108221 ETOT(band)= -0.116452 trlgG= -0.147532 logG= -0.029725 TDE= -0.171360 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001772 tlogG= -0.007802 logG= -0.009573 logGD-logG0= -0.001693 tlogG= -0.008034 logG= -0.009728 Density= 0.035331 ETOT(band)= -0.039039 trlgG= -0.049215 logG= -0.009728 TDE= -0.056971 logGD-logG0= -0.005984 tlogG= -0.023914 logG= -0.029898 Density= 0.108273 ETOT(band)= -0.116528 trlgG= -0.147810 logG= -0.029898 TDE= -0.171490 Density= 0.035509 ETOT(band)= -0.038890 trlgG= -0.048849 logG= -0.009573 TDE= -0.056848 logGD-logG0= -0.005680 tlogG= -0.023657 logG= -0.029337 Density= 0.107425 ETOT(band)= -0.116624 trlgG= -0.147114 logG= -0.029337 TDE= -0.170936 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005791 tlogG= -0.022136 logG= -0.027927 Density= 0.108395 ETOT(band)= -0.115343 trlgG= -0.144667 logG= -0.027927 TDE= -0.170379 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006123 tlogG= -0.024042 logG= -0.030165 logGD-logG0= -0.005706 tlogG= -0.022820 logG= -0.028526 Density= 0.107789 ETOT(band)= -0.115999 trlgG= -0.145643 logG= -0.028526 TDE= -0.170457 logGD-logG0= -0.003053 tlogG= -0.011969 logG= -0.015022 logGD-logG0= -0.005209 tlogG= -0.023945 logG= -0.029154 Density= 0.106222 ETOT(band)= -0.117010 trlgG= -0.147403 logG= -0.029154 TDE= -0.170812 Density= 0.107690 ETOT(band)= -0.116972 trlgG= -0.148225 logG= -0.030165 TDE= -0.171350 logGD-logG0= -0.006139 tlogG= -0.024049 logG= -0.030188 Density= 0.054006 ETOT(band)= -0.058371 trlgG= -0.074024 logG= -0.015022 TDE= -0.085727 Density= 0.107934 ETOT(band)= -0.116883 trlgG= -0.148287 logG= -0.030188 TDE= -0.171511 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005400 tlogG= -0.024019 logG= -0.029419 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005971 tlogG= -0.023835 logG= -0.029806 Density= 0.108293 ETOT(band)= -0.116464 trlgG= -0.147661 logG= -0.029806 TDE= -0.171443 Density= 0.106441 ETOT(band)= -0.117044 trlgG= -0.147523 logG= -0.029419 TDE= -0.170777 logGD-logG0= -0.005183 tlogG= -0.024022 logG= -0.029205 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106171 ETOT(band)= -0.117053 trlgG= -0.147516 logG= -0.029205 TDE= -0.170850 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006155 tlogG= -0.023874 logG= -0.030028 logGD-logG0= -0.005843 tlogG= -0.024062 logG= -0.029905 Density= 0.107428 ETOT(band)= -0.116934 trlgG= -0.147855 logG= -0.029905 TDE= -0.171110 Density= 0.107798 ETOT(band)= -0.116840 trlgG= -0.148010 logG= -0.030028 TDE= -0.171326 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006138 tlogG= -0.023653 logG= -0.029791 Density= 0.107280 ETOT(band)= -0.116902 trlgG= -0.147561 logG= -0.029791 TDE= -0.170858 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006172 tlogG= -0.024095 logG= -0.030267 Density= 0.107857 ETOT(band)= -0.116969 trlgG= -0.148412 logG= -0.030267 TDE= -0.171518 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005973 tlogG= -0.023569 logG= -0.029542 Density= 0.108246 ETOT(band)= -0.116337 trlgG= -0.147241 logG= -0.029542 TDE= -0.171264 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005844 tlogG= -0.023619 logG= -0.029463 logGD-logG0= -0.005561 tlogG= -0.022962 logG= -0.028523 Density= 0.106919 ETOT(band)= -0.116389 trlgG= -0.145929 logG= -0.028523 TDE= -0.170315 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006079 tlogG= -0.023936 logG= -0.030015 Density= 0.107492 ETOT(band)= -0.116956 trlgG= -0.147954 logG= -0.030015 TDE= -0.171132 Density= 0.107027 ETOT(band)= -0.116828 trlgG= -0.147013 logG= -0.029463 TDE= -0.170512 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005476 tlogG= -0.023177 logG= -0.028653 Density= 0.106784 ETOT(band)= -0.116518 trlgG= -0.146192 logG= -0.028653 TDE= -0.170382 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005584 tlogG= -0.023474 logG= -0.029058 Density= 0.106822 ETOT(band)= -0.116708 trlgG= -0.146675 logG= -0.029058 TDE= -0.170479 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005953 tlogG= -0.022846 logG= -0.028800 logGD-logG0= -0.005940 tlogG= -0.023181 logG= -0.029120 Density= 0.108235 ETOT(band)= -0.116113 trlgG= -0.146577 logG= -0.029120 TDE= -0.171017 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107659 ETOT(band)= -0.116202 trlgG= -0.146053 logG= -0.028800 TDE= -0.170529 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005736 tlogG= -0.024036 logG= -0.029772 Density= 0.107106 ETOT(band)= -0.116992 trlgG= -0.147882 logG= -0.029772 TDE= -0.171111 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005856 tlogG= -0.022378 logG= -0.028234 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005533 tlogG= -0.023642 logG= -0.029175 Density= 0.106648 ETOT(band)= -0.116853 trlgG= -0.147104 logG= -0.029175 TDE= -0.170704 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005564 tlogG= -0.023654 logG= -0.029218 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107676 ETOT(band)= -0.115870 trlgG= -0.145159 logG= -0.028234 TDE= -0.170208 logGD-logG0= -0.005753 tlogG= -0.023869 logG= -0.029622 Density= 0.107024 ETOT(band)= -0.116739 trlgG= -0.147207 logG= -0.029218 TDE= -0.170950 logGD-logG0= -0.005871 tlogG= -0.022700 logG= -0.028571 Density= 0.108287 ETOT(band)= -0.115784 trlgG= -0.145710 logG= -0.028571 TDE= -0.170725 Density= 0.106808 ETOT(band)= -0.117008 trlgG= -0.147629 logG= -0.029622 TDE= -0.170862 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006144 tlogG= -0.023168 logG= -0.029313 Density= 0.107727 ETOT(band)= -0.116450 trlgG= -0.146862 logG= -0.029313 TDE= -0.170858 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005592 tlogG= -0.022820 logG= -0.028413 logGD-logG0= -0.011490 tlogG= -0.048180 logG= -0.059670 logGD-logG0= -0.006126 tlogG= -0.023833 logG= -0.029958 Density= 0.107341 ETOT(band)= -0.116139 trlgG= -0.145774 logG= -0.028413 TDE= -0.170480 Density= 0.214500 ETOT(band)= -0.233946 trlgG= -0.295837 logG= -0.059670 TDE= -0.342313 Density= 0.107961 ETOT(band)= -0.116711 trlgG= -0.147904 logG= -0.029958 TDE= -0.171371 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006113 tlogG= -0.024021 logG= -0.030134 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107993 ETOT(band)= -0.116817 trlgG= -0.148199 logG= -0.030134 TDE= -0.171505 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006164 tlogG= -0.023542 logG= -0.029706 Density= 0.107845 ETOT(band)= -0.116613 trlgG= -0.147491 logG= -0.029706 TDE= -0.171152 logGD-logG0= -0.011167 tlogG= -0.045698 logG= -0.056865 Density= 0.215104 ETOT(band)= -0.232116 trlgG= -0.291446 logG= -0.056865 TDE= -0.341025 logGD-logG0= -0.011455 tlogG= -0.045527 logG= -0.056982 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214454 ETOT(band)= -0.232461 trlgG= -0.291627 logG= -0.056982 TDE= -0.340768 logGD-logG0= -0.011240 tlogG= -0.047881 logG= -0.059121 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011363 tlogG= -0.047094 logG= -0.058457 Density= 0.213865 ETOT(band)= -0.233535 trlgG= -0.294267 logG= -0.058457 TDE= -0.341641 Density= 0.213376 ETOT(band)= -0.234037 trlgG= -0.294983 logG= -0.059121 TDE= -0.341452 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011641 tlogG= -0.047836 logG= -0.059476 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214070 ETOT(band)= -0.233980 trlgG= -0.295528 logG= -0.059476 TDE= -0.341984 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002886 tlogG= -0.010826 logG= -0.013712 logGD-logG0= -0.011129 tlogG= -0.047383 logG= -0.058513 Density= 0.214407 ETOT(band)= -0.233370 trlgG= -0.294394 logG= -0.058513 TDE= -0.341981 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012205 tlogG= -0.047686 logG= -0.059891 Density= 0.214855 ETOT(band)= -0.233874 trlgG= -0.295662 logG= -0.059891 TDE= -0.342092 Density= 0.054082 ETOT(band)= -0.057546 trlgG= -0.071904 logG= -0.013712 TDE= -0.084954 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011506 tlogG= -0.047106 logG= -0.058612 Density= 0.213877 ETOT(band)= -0.233579 trlgG= -0.294058 logG= -0.058612 TDE= -0.341283 logGD-logG0= -0.011545 tlogG= -0.045589 logG= -0.057134 Density= 0.215236 ETOT(band)= -0.232193 trlgG= -0.291434 logG= -0.057134 TDE= -0.340810 logGD-logG0= -0.012070 tlogG= -0.047726 logG= -0.059796 logGD-logG0= -0.012226 tlogG= -0.047867 logG= -0.060092 logGD-logG0= -0.012002 tlogG= -0.047921 logG= -0.059923 Density= 0.215169 ETOT(band)= -0.233786 trlgG= -0.295754 logG= -0.059923 TDE= -0.342308 Density= 0.215989 ETOT(band)= -0.233505 trlgG= -0.296101 logG= -0.060092 TDE= -0.342891 Density= 0.214754 ETOT(band)= -0.233867 trlgG= -0.295494 logG= -0.059796 TDE= -0.341969 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002825 tlogG= -0.010410 logG= -0.013235 Density= 0.054394 ETOT(band)= -0.057032 trlgG= -0.071057 logG= -0.013235 TDE= -0.084739 logGD-logG0= -0.001906 tlogG= -0.006981 logG= -0.008887 Density= 0.036207 ETOT(band)= -0.038099 trlgG= -0.047490 logG= -0.008887 TDE= -0.056520 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011856 tlogG= -0.046355 logG= -0.058210 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012340 tlogG= -0.048089 logG= -0.060429 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215305 ETOT(band)= -0.232754 trlgG= -0.293062 logG= -0.058210 TDE= -0.341395 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215519 ETOT(band)= -0.233951 trlgG= -0.296629 logG= -0.060429 TDE= -0.342850 logGD-logG0= -0.012302 tlogG= -0.047454 logG= -0.059756 Density= 0.215793 ETOT(band)= -0.233386 trlgG= -0.295541 logG= -0.059756 TDE= -0.342570 logGD-logG0= -0.011871 tlogG= -0.047605 logG= -0.059476 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011480 tlogG= -0.047162 logG= -0.058642 Density= 0.214572 ETOT(band)= -0.233334 trlgG= -0.294167 logG= -0.058642 TDE= -0.341705 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012234 tlogG= -0.047957 logG= -0.060190 Density= 0.214050 ETOT(band)= -0.233967 trlgG= -0.295280 logG= -0.059476 TDE= -0.341727 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011755 tlogG= -0.047967 logG= -0.059722 Density= 0.214630 ETOT(band)= -0.233894 trlgG= -0.295586 logG= -0.059722 TDE= -0.342073 logGD-logG0= -0.001973 tlogG= -0.007295 logG= -0.009268 Density= 0.035858 ETOT(band)= -0.038545 trlgG= -0.048151 logG= -0.009268 TDE= -0.056627 Density= 0.215204 ETOT(band)= -0.233922 trlgG= -0.296196 logG= -0.060190 TDE= -0.342499 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010819 tlogG= -0.047577 logG= -0.058396 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012155 tlogG= -0.048022 logG= -0.060177 Density= 0.213029 ETOT(band)= -0.233826 trlgG= -0.294348 logG= -0.058396 TDE= -0.341370 logGD-logG0= -0.012281 tlogG= -0.047815 logG= -0.060096 Density= 0.215168 ETOT(band)= -0.233931 trlgG= -0.296170 logG= -0.060177 TDE= -0.342469 Density= 0.215861 ETOT(band)= -0.233575 trlgG= -0.296103 logG= -0.060096 TDE= -0.342826 logGD-logG0= -0.012090 tlogG= -0.047259 logG= -0.059349 Density= 0.214361 ETOT(band)= -0.233764 trlgG= -0.294753 logG= -0.059349 TDE= -0.341480 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012293 tlogG= -0.046824 logG= -0.059117 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215521 ETOT(band)= -0.233147 trlgG= -0.294503 logG= -0.059117 TDE= -0.342037 logGD-logG0= -0.012250 tlogG= -0.047367 logG= -0.059617 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215561 ETOT(band)= -0.233423 trlgG= -0.295302 logG= -0.059617 TDE= -0.342355 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011771 tlogG= -0.047094 logG= -0.058865 Density= 0.215243 ETOT(band)= -0.233154 trlgG= -0.294079 logG= -0.058865 TDE= -0.341727 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005840 tlogG= -0.021842 logG= -0.027682 Density= 0.108362 ETOT(band)= -0.115158 trlgG= -0.144232 logG= -0.027682 TDE= -0.170172 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005752 tlogG= -0.021532 logG= -0.027283 Density= 0.108550 ETOT(band)= -0.114794 trlgG= -0.143551 logG= -0.027283 TDE= -0.169984 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005667 tlogG= -0.020957 logG= -0.026625 Density= 0.108743 ETOT(band)= -0.114210 trlgG= -0.142394 logG= -0.026625 TDE= -0.169581 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005918 tlogG= -0.021787 logG= -0.027706 Density= 0.107829 ETOT(band)= -0.115444 trlgG= -0.144292 logG= -0.027706 TDE= -0.169945 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011708 tlogG= -0.043330 logG= -0.055038 Density= 0.216354 ETOT(band)= -0.230297 trlgG= -0.287941 logG= -0.055038 TDE= -0.339965 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005858 tlogG= -0.021664 logG= -0.027522 Density= 0.107971 ETOT(band)= -0.115253 trlgG= -0.143982 logG= -0.027522 TDE= -0.169889 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001446 tlogG= -0.005611 logG= -0.007057 Density= 0.080868 ETOT(band)= -0.086900 trlgG= -0.109150 logG= -0.007057 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001467 tlogG= -0.005739 logG= -0.007206 Density= 0.080670 ETOT(band)= -0.087326 trlgG= -0.110153 logG= -0.007206 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005953 tlogG= -0.022408 logG= -0.028361 Density= 0.216447 ETOT(band)= -0.231113 trlgG= -0.290038 logG= -0.028361 TDE= -0.170479 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001488 tlogG= -0.005930 logG= -0.007418 Density= 0.080867 ETOT(band)= -0.087579 trlgG= -0.110902 logG= -0.007418 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001483 tlogG= -0.005847 logG= -0.007329 logGD-logG0= -0.005926 tlogG= -0.023925 logG= -0.029851 Density= 0.080684 ETOT(band)= -0.087541 trlgG= -0.110708 logG= -0.007329 TDE= -0.042790 Density= 0.214440 ETOT(band)= -0.233898 trlgG= -0.295358 logG= -0.029851 TDE= -0.170974 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005428 tlogG= -0.023946 logG= -0.029374 Density= 0.212914 ETOT(band)= -0.234059 trlgG= -0.294953 logG= -0.029374 TDE= -0.170744 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005760 tlogG= -0.023859 logG= -0.029619 Density= 0.213889 ETOT(band)= -0.233807 trlgG= -0.294454 logG= -0.029619 TDE= -0.170703 logGD-logG0= -0.006050 tlogG= -0.023379 logG= -0.029429 Density= 0.216283 ETOT(band)= -0.232481 trlgG= -0.293638 logG= -0.029429 TDE= -0.171099 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005589 tlogG= -0.023974 logG= -0.029563 Density= 0.214220 ETOT(band)= -0.233886 trlgG= -0.295581 logG= -0.029563 TDE= -0.171141 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005634 tlogG= -0.023212 logG= -0.028846 Density= 0.213598 ETOT(band)= -0.233411 trlgG= -0.293681 logG= -0.028846 TDE= -0.170655 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005499 tlogG= -0.023339 logG= -0.028838 Density= 0.214278 ETOT(band)= -0.233176 trlgG= -0.293790 logG= -0.028838 TDE= -0.170820 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006007 tlogG= -0.023170 logG= -0.029178 logGD-logG0= -0.006275 tlogG= -0.023328 logG= -0.029603 Density= 0.215200 ETOT(band)= -0.233166 trlgG= -0.294154 logG= -0.029603 TDE= -0.170872 logGD-logG0= -0.005687 tlogG= -0.023803 logG= -0.029490 Density= 0.213675 ETOT(band)= -0.233943 trlgG= -0.295195 logG= -0.029490 TDE= -0.170959 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214959 ETOT(band)= -0.232765 trlgG= -0.292662 logG= -0.029178 TDE= -0.170528 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006069 tlogG= -0.023964 logG= -0.030032 Density= 0.215780 ETOT(band)= -0.233674 trlgG= -0.296257 logG= -0.030032 TDE= -0.171487 logGD-logG0= -0.006020 tlogG= -0.022933 logG= -0.028953 Density= 0.216306 ETOT(band)= -0.231908 trlgG= -0.292022 logG= -0.028953 TDE= -0.170813 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001486 tlogG= -0.005975 logG= -0.007461 Density= 0.081095 ETOT(band)= -0.087485 trlgG= -0.110953 logG= -0.007461 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006088 tlogG= -0.023455 logG= -0.029543 Density= 0.215307 ETOT(band)= -0.233140 trlgG= -0.294350 logG= -0.029543 TDE= -0.171078 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006103 tlogG= -0.023762 logG= -0.029866 Density= 0.215429 ETOT(band)= -0.233576 trlgG= -0.295611 logG= -0.029866 TDE= -0.171335 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006031 tlogG= -0.023963 logG= -0.029994 logGD-logG0= -0.001436 tlogG= -0.005460 logG= -0.006896 Density= 0.216445 ETOT(band)= -0.233166 trlgG= -0.295779 logG= -0.029994 TDE= -0.171505 Density= 0.081228 ETOT(band)= -0.086291 trlgG= -0.107918 logG= -0.006896 TDE= -0.042551 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.012093 tlogG= -0.047713 logG= -0.059806 Density= 0.324485 ETOT(band)= -0.349651 trlgG= -0.443170 logG= -0.059806 TDE= -0.342851 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006163 tlogG= -0.024084 logG= -0.030247 Density= 0.215813 ETOT(band)= -0.233830 trlgG= -0.296669 logG= -0.030247 TDE= -0.171519 logGD-logG0= -0.005529 tlogG= -0.023336 logG= -0.028865 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012140 tlogG= -0.047162 logG= -0.059302 Density= 0.324265 ETOT(band)= -0.349281 trlgG= -0.441825 logG= -0.059302 TDE= -0.342459 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321777 ETOT(band)= -0.349767 trlgG= -0.440939 logG= -0.028865 TDE= -0.170812 logGD-logG0= -0.011842 tlogG= -0.045574 logG= -0.057416 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324166 ETOT(band)= -0.347680 trlgG= -0.437121 logG= -0.057416 TDE= -0.341281 logGD-logG0= -0.005916 tlogG= -0.023815 logG= -0.029732 Density= 0.215590 ETOT(band)= -0.233574 trlgG= -0.295709 logG= -0.029732 TDE= -0.171022 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005620 tlogG= -0.023974 logG= -0.029594 Density= 0.321714 ETOT(band)= -0.350811 trlgG= -0.443514 logG= -0.029594 TDE= -0.171137 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006024 tlogG= -0.023920 logG= -0.029944 logGD-logG0= -0.005158 tlogG= -0.024102 logG= -0.029260 Density= 0.212280 ETOT(band)= -0.234156 trlgG= -0.295156 logG= -0.029260 TDE= -0.170888 logGD-logG0= -0.012133 tlogG= -0.046344 logG= -0.058477 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324124 ETOT(band)= -0.348623 trlgG= -0.439739 logG= -0.058477 TDE= -0.341903 Density= 0.216478 ETOT(band)= -0.233062 trlgG= -0.295548 logG= -0.029944 TDE= -0.171479 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.023558 logG= -0.028899 Density= 0.212723 ETOT(band)= -0.233781 trlgG= -0.294206 logG= -0.028899 TDE= -0.170606 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011367 tlogG= -0.046544 logG= -0.057910 Density= 0.322838 ETOT(band)= -0.348734 trlgG= -0.438572 logG= -0.057910 TDE= -0.341435 logGD-logG0= -0.005452 tlogG= -0.023863 logG= -0.029315 Density= 0.213383 ETOT(band)= -0.233655 trlgG= -0.293955 logG= -0.029315 TDE= -0.170696 logGD-logG0= -0.005864 tlogG= -0.024125 logG= -0.029989 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001862 tlogG= -0.006863 logG= -0.008725 logGD-logG0= -0.005866 tlogG= -0.023216 logG= -0.029082 Density= 0.321848 ETOT(band)= -0.350273 trlgG= -0.441784 logG= -0.029082 TDE= -0.170765 Density= 0.040860 ETOT(band)= -0.042645 trlgG= -0.053072 logG= -0.008725 TDE= -0.056435 Density= 0.214840 ETOT(band)= -0.233974 trlgG= -0.295971 logG= -0.029989 TDE= -0.171148 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006045 tlogG= -0.023725 logG= -0.029770 Density= 0.216366 ETOT(band)= -0.232863 trlgG= -0.294845 logG= -0.029770 TDE= -0.171338 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006087 tlogG= -0.024055 logG= -0.030142 Density= 0.323205 ETOT(band)= -0.350912 trlgG= -0.444815 logG= -0.030142 TDE= -0.171332 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012372 tlogG= -0.047976 logG= -0.060348 logGD-logG0= -0.006198 tlogG= -0.023919 logG= -0.030117 Density= 0.323389 ETOT(band)= -0.350707 trlgG= -0.444512 logG= -0.060348 TDE= -0.342840 Density= 0.323802 ETOT(band)= -0.350387 trlgG= -0.444258 logG= -0.030117 TDE= -0.171391 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023711 logG= -0.028998 Density= 0.213187 ETOT(band)= -0.233380 trlgG= -0.293228 logG= -0.028998 TDE= -0.170691 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005889 tlogG= -0.024131 logG= -0.030020 Density= 0.322587 ETOT(band)= -0.350934 trlgG= -0.444176 logG= -0.030020 TDE= -0.171143 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006214 tlogG= -0.023860 logG= -0.030074 Density= 0.215740 ETOT(band)= -0.233577 trlgG= -0.295987 logG= -0.030074 TDE= -0.171343 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.006263 tlogG= -0.023646 logG= -0.029910 Density= 0.215502 ETOT(band)= -0.233427 trlgG= -0.295292 logG= -0.029910 TDE= -0.171165 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011339 tlogG= -0.047775 logG= -0.059114 Density= 0.428237 ETOT(band)= -0.467754 trlgG= -0.590749 logG= -0.059114 TDE= -0.342088 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001855 tlogG= -0.007579 logG= -0.009434 logGD-logG0= -0.005641 tlogG= -0.022296 logG= -0.027937 Density= 0.215115 ETOT(band)= -0.231768 trlgG= -0.290546 logG= -0.027937 TDE= -0.170166 Density= 0.071527 ETOT(band)= -0.077285 trlgG= -0.096642 logG= -0.009434 TDE= -0.056708 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005807 tlogG= -0.022879 logG= -0.028687 Density= 0.214885 ETOT(band)= -0.232213 trlgG= -0.291138 logG= -0.028687 TDE= -0.170344 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011140 tlogG= -0.046660 logG= -0.057800 Density= 0.428082 ETOT(band)= -0.465736 trlgG= -0.584755 logG= -0.057800 TDE= -0.341041 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011836 tlogG= -0.048086 logG= -0.059921 Density= 0.429498 ETOT(band)= -0.467879 trlgG= -0.591503 logG= -0.059921 TDE= -0.342136 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005751 tlogG= -0.021269 logG= -0.027020 Density= 0.162706 ETOT(band)= -0.172862 trlgG= -0.217005 logG= -0.027020 TDE= -0.169796 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001719 tlogG= -0.007956 logG= -0.009675 logGD-logG0= -0.011339 tlogG= -0.047601 logG= -0.058940 Density= 0.426878 ETOT(band)= -0.467954 trlgG= -0.589890 logG= -0.058940 TDE= -0.341617 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011197 tlogG= -0.046543 logG= -0.057741 Density= 0.428289 ETOT(band)= -0.466456 trlgG= -0.587358 logG= -0.057741 TDE= -0.341458 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012168 tlogG= -0.048012 logG= -0.060180 Density= 0.430336 ETOT(band)= -0.467721 trlgG= -0.591927 logG= -0.060180 TDE= -0.342469 Density= 0.070901 ETOT(band)= -0.077879 trlgG= -0.097942 logG= -0.009675 TDE= -0.056932 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012003 tlogG= -0.047895 logG= -0.059897 logGD-logG0= -0.011961 tlogG= -0.048161 logG= -0.060122 Density= 0.430231 ETOT(band)= -0.467890 trlgG= -0.592255 logG= -0.060122 TDE= -0.342343 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429401 ETOT(band)= -0.467839 trlgG= -0.591143 logG= -0.059897 TDE= -0.341970 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011694 tlogG= -0.047496 logG= -0.059189 Density= 0.428801 ETOT(band)= -0.467089 trlgG= -0.589119 logG= -0.059189 TDE= -0.341774 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011947 tlogG= -0.047610 logG= -0.059557 Density= 0.428491 ETOT(band)= -0.467741 trlgG= -0.590076 logG= -0.059557 TDE= -0.341729 logGD-logG0= -0.012454 tlogG= -0.047617 logG= -0.060071 Density= 0.431280 ETOT(band)= -0.467102 trlgG= -0.591573 logG= -0.060071 TDE= -0.342593 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011622 tlogG= -0.046338 logG= -0.057960 logGD-logG0= -0.012003 tlogG= -0.046871 logG= -0.058873 Density= 0.429711 ETOT(band)= -0.465180 trlgG= -0.584416 logG= -0.057960 TDE= -0.341155 Density= 0.430064 ETOT(band)= -0.466096 trlgG= -0.587100 logG= -0.058873 TDE= -0.341439 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011293 tlogG= -0.047720 logG= -0.059013 Density= 0.427378 ETOT(band)= -0.467510 trlgG= -0.588740 logG= -0.059013 TDE= -0.341320 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011507 tlogG= -0.047791 logG= -0.059298 Density= 0.429331 ETOT(band)= -0.467541 trlgG= -0.590717 logG= -0.059298 TDE= -0.342077 logGD-logG0= -0.012376 tlogG= -0.047942 logG= -0.060317 Density= 0.431520 ETOT(band)= -0.467386 trlgG= -0.592559 logG= -0.060317 TDE= -0.342858 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012333 tlogG= -0.047672 logG= -0.060006 Density= 0.430939 ETOT(band)= -0.467153 trlgG= -0.591214 logG= -0.060006 TDE= -0.342486 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001416 tlogG= -0.005299 logG= -0.006715 Density= 0.081583 ETOT(band)= -0.085628 trlgG= -0.106758 logG= -0.006715 TDE= -0.042440 logGD-logG0= -0.011926 tlogG= -0.047510 logG= -0.059436 Density= 0.430197 ETOT(band)= -0.466742 trlgG= -0.589028 logG= -0.059436 TDE= -0.341883 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.012397 tlogG= -0.047211 logG= -0.059607 Density= 0.430668 ETOT(band)= -0.466728 trlgG= -0.589748 logG= -0.059607 TDE= -0.342103 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005681 tlogG= -0.022297 logG= -0.027978 Density= 0.323001 ETOT(band)= -0.347706 trlgG= -0.436192 logG= -0.027978 TDE= -0.170161 logGD-logG0= -0.010663 tlogG= -0.048041 logG= -0.058703 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.425744 ETOT(band)= -0.467917 trlgG= -0.589392 logG= -0.058703 TDE= -0.341603 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.011636 tlogG= -0.044564 logG= -0.056200 Density= 0.324405 ETOT(band)= -0.346414 trlgG= -0.434127 logG= -0.056200 TDE= -0.340605 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001975 tlogG= -0.007106 logG= -0.009081 Density= 0.072254 ETOT(band)= -0.076425 trlgG= -0.095328 logG= -0.009081 TDE= -0.056595 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005797 tlogG= -0.022261 logG= -0.028057 Density= 0.214352 ETOT(band)= -0.232249 trlgG= -0.290902 logG= -0.028057 TDE= -0.170079 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005760 tlogG= -0.022446 logG= -0.028206 Density= 0.215108 ETOT(band)= -0.231481 trlgG= -0.289503 logG= -0.028206 TDE= -0.170092 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001397 tlogG= -0.005163 logG= -0.006560 Density= 0.062567 ETOT(band)= -0.067489 trlgG= -0.084636 logG= -0.006560 TDE= -0.042338 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005928 tlogG= -0.021846 logG= -0.027774 Density= 0.216703 ETOT(band)= -0.230116 trlgG= -0.287947 logG= -0.027774 TDE= -0.170140 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005835 tlogG= -0.021318 logG= -0.027153 Density= 0.217090 ETOT(band)= -0.229016 trlgG= -0.285741 logG= -0.027153 TDE= -0.169809 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.011511 tlogG= -0.044563 logG= -0.056074 Density= 0.431769 ETOT(band)= -0.461729 trlgG= -0.577658 logG= -0.056074 TDE= -0.340241 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005793 tlogG= -0.021173 logG= -0.026966 Density= 0.216421 ETOT(band)= -0.229870 trlgG= -0.286997 logG= -0.026966 TDE= -0.169716 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.556845404853 eV TrLogG= -409.347499663372 eV Ratio to renormalize= 0.999597441051 rho-rho_expected= 0.008859863495 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 128 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964478369290982 0.940044704196136 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002568 tlogG= -0.011989 logG= -0.014557 Density= 0.054162 ETOT(band)= -0.058251 trlgG= -0.073511 logG= -0.014557 TDE= -0.085756 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014630 Density= 0.054009 ETOT(band)= -0.058371 trlgG= -0.073630 logG= -0.014630 TDE= -0.085727 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023882 logG= -0.029025 Density= 0.108298 ETOT(band)= -0.116462 trlgG= -0.146877 logG= -0.029025 TDE= -0.171444 logGD-logG0= -0.005146 tlogG= -0.023616 logG= -0.028762 logGD-logG0= -0.005245 tlogG= -0.023978 logG= -0.029223 Density= 0.107501 ETOT(band)= -0.116958 trlgG= -0.147159 logG= -0.029223 TDE= -0.171132 Density= 0.108254 ETOT(band)= -0.116336 trlgG= -0.146456 logG= -0.028762 TDE= -0.171264 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023880 logG= -0.029173 Density= 0.107968 ETOT(band)= -0.116711 trlgG= -0.147116 logG= -0.029173 TDE= -0.171371 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047181 logG= -0.057017 Density= 0.213906 ETOT(band)= -0.233584 trlgG= -0.292449 logG= -0.057017 TDE= -0.341283 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011453 logG= -0.013794 Density= 0.053767 ETOT(band)= -0.058022 trlgG= -0.072461 logG= -0.013794 TDE= -0.085274 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.021888 logG= -0.026894 Density= 0.108377 ETOT(band)= -0.115157 trlgG= -0.143436 logG= -0.026894 TDE= -0.170172 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002333 tlogG= -0.011889 logG= -0.014222 Density= 0.053592 ETOT(band)= -0.058351 trlgG= -0.073224 logG= -0.014222 TDE= -0.085522 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022183 logG= -0.027153 Density= 0.108411 ETOT(band)= -0.115342 trlgG= -0.143885 logG= -0.027153 TDE= -0.170379 logGD-logG0= -0.004557 tlogG= -0.024057 logG= -0.028614 Density= 0.106457 ETOT(band)= -0.117047 trlgG= -0.146711 logG= -0.028614 TDE= -0.170777 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023695 logG= -0.028997 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107291 ETOT(band)= -0.116904 trlgG= -0.146762 logG= -0.028997 TDE= -0.170858 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023227 logG= -0.028342 logGD-logG0= -0.004693 tlogG= -0.023680 logG= -0.028373 Density= 0.106665 ETOT(band)= -0.116855 trlgG= -0.146294 logG= -0.028373 TDE= -0.170704 Density= 0.108245 ETOT(band)= -0.116113 trlgG= -0.145793 logG= -0.028342 TDE= -0.171017 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012087 logG= -0.014515 logGD-logG0= -0.004757 tlogG= -0.022863 logG= -0.027620 Density= 0.053614 ETOT(band)= -0.058496 trlgG= -0.073586 logG= -0.014515 TDE= -0.085602 Density= 0.107359 ETOT(band)= -0.116139 trlgG= -0.144973 logG= -0.027620 TDE= -0.170480 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012038 logG= -0.014648 Density= 0.053791 ETOT(band)= -0.058486 trlgG= -0.073643 logG= -0.014648 TDE= -0.085614 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004730 trlgG= -0.005850 logG= -0.001050 TDE= -0.007049 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.035516 ETOT(band)= -0.038890 trlgG= -0.048578 logG= -0.009305 TDE= -0.056848 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009457 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048941 logG= -0.009457 TDE= -0.056971 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.022994 logG= -0.028116 Density= 0.108187 ETOT(band)= -0.116019 trlgG= -0.145437 logG= -0.028116 TDE= -0.170858 logGD-logG0= -0.005169 tlogG= -0.023774 logG= -0.028943 Density= 0.108228 ETOT(band)= -0.116451 trlgG= -0.146747 logG= -0.028943 TDE= -0.171361 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024083 logG= -0.029377 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107697 ETOT(band)= -0.116974 trlgG= -0.147433 logG= -0.029377 TDE= -0.171350 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023441 logG= -0.028605 Density= 0.108182 ETOT(band)= -0.116289 trlgG= -0.146211 logG= -0.028605 TDE= -0.171140 logGD-logG0= -0.005157 tlogG= -0.023960 logG= -0.029117 logGD-logG0= -0.004880 tlogG= -0.022862 logG= -0.027742 Density= 0.107805 ETOT(band)= -0.115999 trlgG= -0.144851 logG= -0.027742 TDE= -0.170457 Density= 0.108278 ETOT(band)= -0.116527 trlgG= -0.147026 logG= -0.029117 TDE= -0.171491 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004362 tlogG= -0.023984 logG= -0.028346 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106241 ETOT(band)= -0.117013 trlgG= -0.146585 logG= -0.028346 TDE= -0.170813 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023215 logG= -0.027853 Density= 0.106804 ETOT(band)= -0.116519 trlgG= -0.145383 logG= -0.027853 TDE= -0.170382 logGD-logG0= -0.004846 tlogG= -0.023699 logG= -0.028545 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107437 ETOT(band)= -0.116626 trlgG= -0.146316 logG= -0.028545 TDE= -0.170936 logGD-logG0= -0.005053 tlogG= -0.022470 logG= -0.027523 logGD-logG0= -0.005009 tlogG= -0.024104 logG= -0.029113 Density= 0.108256 ETOT(band)= -0.115646 trlgG= -0.144491 logG= -0.027523 TDE= -0.170539 Density= 0.107437 ETOT(band)= -0.116936 trlgG= -0.147058 logG= -0.029113 TDE= -0.171110 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023656 logG= -0.028667 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024142 logG= -0.029482 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107864 ETOT(band)= -0.116970 trlgG= -0.147624 logG= -0.029482 TDE= -0.171519 Density= 0.107041 ETOT(band)= -0.116831 trlgG= -0.146210 logG= -0.028667 TDE= -0.170512 logGD-logG0= -0.005307 tlogG= -0.024096 logG= -0.029403 logGD-logG0= -0.005326 tlogG= -0.023915 logG= -0.029241 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107805 ETOT(band)= -0.116841 trlgG= -0.147220 logG= -0.029241 TDE= -0.171326 Density= 0.107940 ETOT(band)= -0.116883 trlgG= -0.147500 logG= -0.029403 TDE= -0.171511 logGD-logG0= -0.004725 tlogG= -0.023000 logG= -0.027724 Density= 0.106938 ETOT(band)= -0.116389 trlgG= -0.145121 logG= -0.027724 TDE= -0.170315 logGD-logG0= -0.005126 tlogG= -0.022888 logG= -0.028014 logGD-logG0= -0.005049 tlogG= -0.022746 logG= -0.027795 Density= 0.108300 ETOT(band)= -0.115784 trlgG= -0.144927 logG= -0.027795 TDE= -0.170725 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107674 ETOT(band)= -0.116202 trlgG= -0.145260 logG= -0.028014 TDE= -0.170529 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023697 logG= -0.028421 logGD-logG0= -0.004915 tlogG= -0.023906 logG= -0.028821 Density= 0.106821 ETOT(band)= -0.117011 trlgG= -0.146822 logG= -0.028821 TDE= -0.170862 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107039 ETOT(band)= -0.116741 trlgG= -0.146402 logG= -0.028421 TDE= -0.170950 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023511 logG= -0.028259 Density= 0.106839 ETOT(band)= -0.116710 trlgG= -0.145869 logG= -0.028259 TDE= -0.170479 logGD-logG0= -0.004896 tlogG= -0.024079 logG= -0.028975 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107117 ETOT(band)= -0.116995 trlgG= -0.147080 logG= -0.028975 TDE= -0.171111 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002411 tlogG= -0.010433 logG= -0.012845 Density= 0.054403 ETOT(band)= -0.057030 trlgG= -0.070663 logG= -0.012845 TDE= -0.084739 logGD-logG0= -0.005316 tlogG= -0.023210 logG= -0.028526 Density= 0.107739 ETOT(band)= -0.116451 trlgG= -0.146070 logG= -0.028526 TDE= -0.170859 logGD-logG0= -0.004335 tlogG= -0.024061 logG= -0.028395 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023589 logG= -0.028920 logGD-logG0= -0.005282 tlogG= -0.024067 logG= -0.029350 logGD-logG0= -0.009815 tlogG= -0.048265 logG= -0.058080 Density= 0.107999 ETOT(band)= -0.116817 trlgG= -0.147412 logG= -0.029350 TDE= -0.171506 Density= 0.214521 ETOT(band)= -0.233951 trlgG= -0.294238 logG= -0.058080 TDE= -0.342314 Density= 0.107854 ETOT(band)= -0.116614 trlgG= -0.146700 logG= -0.028920 TDE= -0.171152 logGD-logG0= -0.009505 tlogG= -0.045783 logG= -0.055288 Density= 0.215138 ETOT(band)= -0.232115 trlgG= -0.289852 logG= -0.055288 TDE= -0.341025 logGD-logG0= -0.009135 tlogG= -0.047653 logG= -0.056788 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213063 ETOT(band)= -0.233831 trlgG= -0.292724 logG= -0.056788 TDE= -0.341370 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009960 tlogG= -0.047921 logG= -0.057881 Density= 0.214093 ETOT(band)= -0.233986 trlgG= -0.293921 logG= -0.057881 TDE= -0.341984 logGD-logG0= -0.009783 tlogG= -0.045612 logG= -0.055395 Density= 0.214490 ETOT(band)= -0.232460 trlgG= -0.290024 logG= -0.055395 TDE= -0.340769 Density= 0.106190 ETOT(band)= -0.117056 trlgG= -0.146698 logG= -0.028395 TDE= -0.170850 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.047180 logG= -0.056861 Density= 0.213896 ETOT(band)= -0.233539 trlgG= -0.292656 logG= -0.056861 TDE= -0.341641 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010536 tlogG= -0.047770 logG= -0.058306 Density= 0.214873 ETOT(band)= -0.233879 trlgG= -0.294069 logG= -0.058306 TDE= -0.342093 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009455 tlogG= -0.047468 logG= -0.056923 Density= 0.214435 ETOT(band)= -0.233374 trlgG= -0.292791 logG= -0.056923 TDE= -0.341981 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.047956 logG= -0.057517 Density= 0.213405 ETOT(band)= -0.234043 trlgG= -0.293366 logG= -0.057517 TDE= -0.341452 logGD-logG0= -0.010491 tlogG= -0.048105 logG= -0.058596 logGD-logG0= -0.010339 tlogG= -0.048005 logG= -0.058343 logGD-logG0= -0.001696 tlogG= -0.007308 logG= -0.009004 Density= 0.035864 ETOT(band)= -0.038544 trlgG= -0.047884 logG= -0.009004 TDE= -0.056627 Density= 0.215187 ETOT(band)= -0.233790 trlgG= -0.294166 logG= -0.058343 TDE= -0.342308 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 Density= 0.036213 ETOT(band)= -0.038098 trlgG= -0.047227 logG= -0.008626 TDE= -0.056520 Density= 0.215184 ETOT(band)= -0.233935 trlgG= -0.294582 logG= -0.058596 TDE= -0.342470 logGD-logG0= -0.010400 tlogG= -0.047810 logG= -0.058210 Density= 0.214773 ETOT(band)= -0.233872 trlgG= -0.293899 logG= -0.058210 TDE= -0.341969 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010571 tlogG= -0.048040 logG= -0.058611 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215220 ETOT(band)= -0.233926 trlgG= -0.294609 logG= -0.058611 TDE= -0.342500 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010084 tlogG= -0.048051 logG= -0.058135 Density= 0.214650 ETOT(band)= -0.233899 trlgG= -0.293989 logG= -0.058135 TDE= -0.342074 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009888 tlogG= -0.045673 logG= -0.055561 Density= 0.215268 ETOT(band)= -0.232193 trlgG= -0.289846 logG= -0.055561 TDE= -0.340810 logGD-logG0= -0.010562 tlogG= -0.047960 logG= -0.058523 Density= 0.216001 ETOT(band)= -0.233505 trlgG= -0.294526 logG= -0.058523 TDE= -0.342891 logGD-logG0= -0.010636 tlogG= -0.047548 logG= -0.058184 Density= 0.215808 ETOT(band)= -0.233387 trlgG= -0.293962 logG= -0.058184 TDE= -0.342570 logGD-logG0= -0.010422 tlogG= -0.047336 logG= -0.057759 Density= 0.214384 ETOT(band)= -0.233769 trlgG= -0.293151 logG= -0.057759 TDE= -0.341481 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010617 tlogG= -0.047909 logG= -0.058525 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.047685 logG= -0.057882 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214074 ETOT(band)= -0.233973 trlgG= -0.293674 logG= -0.057882 TDE= -0.341727 logGD-logG0= -0.010198 tlogG= -0.046438 logG= -0.056636 Density= 0.215874 ETOT(band)= -0.233576 trlgG= -0.294526 logG= -0.058525 TDE= -0.342826 logGD-logG0= -0.010593 tlogG= -0.047449 logG= -0.058042 Density= 0.215578 ETOT(band)= -0.233426 trlgG= -0.293719 logG= -0.058042 TDE= -0.342356 Density= 0.215331 ETOT(band)= -0.232756 trlgG= -0.291475 logG= -0.056636 TDE= -0.341395 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.048172 logG= -0.058855 Density= 0.215533 ETOT(band)= -0.233954 trlgG= -0.295049 logG= -0.058855 TDE= -0.342850 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002472 tlogG= -0.010847 logG= -0.013319 Density= 0.054091 ETOT(band)= -0.057545 trlgG= -0.071506 logG= -0.013319 TDE= -0.084954 logGD-logG0= -0.009809 tlogG= -0.047247 logG= -0.057056 Density= 0.214599 ETOT(band)= -0.233337 trlgG= -0.292568 logG= -0.057056 TDE= -0.341706 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.046907 logG= -0.057543 Density= 0.215541 ETOT(band)= -0.233149 trlgG= -0.292919 logG= -0.057543 TDE= -0.342037 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.047177 logG= -0.057287 Density= 0.215265 ETOT(band)= -0.233157 trlgG= -0.292491 logG= -0.057287 TDE= -0.341727 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.021578 logG= -0.026498 Density= 0.108566 ETOT(band)= -0.114792 trlgG= -0.142758 logG= -0.026498 TDE= -0.169984 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005029 tlogG= -0.022420 logG= -0.027449 Density= 0.107693 ETOT(band)= -0.115869 trlgG= -0.144365 logG= -0.027449 TDE= -0.170209 logGD-logG0= -0.004840 tlogG= -0.021003 logG= -0.025843 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108760 ETOT(band)= -0.114206 trlgG= -0.141604 logG= -0.025843 TDE= -0.169581 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.021829 logG= -0.026916 Density= 0.107847 ETOT(band)= -0.115442 trlgG= -0.143493 logG= -0.026916 TDE= -0.169945 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043414 logG= -0.053463 Density= 0.216388 ETOT(band)= -0.230293 trlgG= -0.286349 logG= -0.053463 TDE= -0.339966 logGD-logG0= -0.005027 tlogG= -0.021706 logG= -0.026734 Density= 0.107989 ETOT(band)= -0.115250 trlgG= -0.143185 logG= -0.026734 TDE= -0.169889 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 Density= 0.081099 ETOT(band)= -0.087484 trlgG= -0.110364 logG= -0.007266 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023966 logG= -0.029162 Density= 0.216490 ETOT(band)= -0.233060 trlgG= -0.293979 logG= -0.029162 TDE= -0.171479 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024167 logG= -0.029196 Density= 0.214858 ETOT(band)= -0.233978 trlgG= -0.294377 logG= -0.029196 TDE= -0.171148 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023772 logG= -0.028987 Density= 0.216381 ETOT(band)= -0.232861 trlgG= -0.293274 logG= -0.028987 TDE= -0.171338 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023907 logG= -0.029286 Density= 0.215753 ETOT(band)= -0.233578 trlgG= -0.294407 logG= -0.029286 TDE= -0.171343 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.021315 logG= -0.026236 Density= 0.162726 ETOT(band)= -0.172858 trlgG= -0.215821 logG= -0.026236 TDE= -0.169796 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009617 tlogG= -0.047794 logG= -0.057411 Density= 0.427436 ETOT(band)= -0.467521 trlgG= -0.585515 logG= -0.057411 TDE= -0.341320 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009992 tlogG= -0.044647 logG= -0.054639 Density= 0.324453 ETOT(band)= -0.346411 trlgG= -0.431755 logG= -0.054639 TDE= -0.340605 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005623 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086900 trlgG= -0.108556 logG= -0.006863 TDE= -0.042649 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005751 logG= -0.007012 Density= 0.080680 ETOT(band)= -0.087327 trlgG= -0.109557 logG= -0.007012 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023967 logG= -0.029055 Density= 0.214461 ETOT(band)= -0.233903 trlgG= -0.293758 logG= -0.029055 TDE= -0.170975 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022452 logG= -0.027582 Density= 0.216478 ETOT(band)= -0.231110 trlgG= -0.288470 logG= -0.027582 TDE= -0.170480 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023984 logG= -0.028569 Density= 0.212946 ETOT(band)= -0.234065 trlgG= -0.293327 logG= -0.028569 TDE= -0.170744 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023254 logG= -0.028048 Density= 0.213632 ETOT(band)= -0.233415 trlgG= -0.292065 logG= -0.028048 TDE= -0.170656 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007135 Density= 0.080691 ETOT(band)= -0.087542 trlgG= -0.110111 logG= -0.007135 TDE= -0.042790 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005942 logG= -0.007223 logGD-logG0= -0.005221 tlogG= -0.023425 logG= -0.028646 Density= 0.080872 ETOT(band)= -0.087579 trlgG= -0.110309 logG= -0.007223 TDE= -0.042844 Density= 0.216303 ETOT(band)= -0.232481 trlgG= -0.292067 logG= -0.028646 TDE= -0.171099 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024011 logG= -0.029249 Density= 0.215793 ETOT(band)= -0.233675 trlgG= -0.294679 logG= -0.029249 TDE= -0.171488 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007969 logG= -0.009405 Density= 0.070914 ETOT(band)= -0.077880 trlgG= -0.097398 logG= -0.009405 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023496 logG= -0.028757 Density= 0.215329 ETOT(band)= -0.233143 trlgG= -0.292762 logG= -0.028757 TDE= -0.171078 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023809 logG= -0.029081 Density= 0.215445 ETOT(band)= -0.233579 trlgG= -0.294026 logG= -0.029081 TDE= -0.171335 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024009 logG= -0.029211 Density= 0.216456 ETOT(band)= -0.233163 trlgG= -0.294211 logG= -0.029211 TDE= -0.171505 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023857 logG= -0.028942 Density= 0.215605 ETOT(band)= -0.233576 trlgG= -0.294127 logG= -0.028942 TDE= -0.171022 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024016 logG= -0.028799 Density= 0.321747 ETOT(band)= -0.350819 trlgG= -0.441113 logG= -0.028799 TDE= -0.171137 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023378 logG= -0.028073 Density= 0.321821 ETOT(band)= -0.349772 trlgG= -0.438537 logG= -0.028073 TDE= -0.170812 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.047806 logG= -0.058239 Density= 0.324504 ETOT(band)= -0.349649 trlgG= -0.440813 logG= -0.058239 TDE= -0.342851 logGD-logG0= -0.004442 tlogG= -0.023750 logG= -0.028192 Density= 0.213225 ETOT(band)= -0.233382 trlgG= -0.291604 logG= -0.028192 TDE= -0.170691 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024131 logG= -0.029462 Density= 0.215825 ETOT(band)= -0.233831 trlgG= -0.295093 logG= -0.029462 TDE= -0.171519 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023596 logG= -0.028095 Density= 0.212761 ETOT(band)= -0.233785 trlgG= -0.292575 logG= -0.028095 TDE= -0.170607 logGD-logG0= -0.009705 tlogG= -0.046628 logG= -0.056332 Density= 0.322882 ETOT(band)= -0.348736 trlgG= -0.436188 logG= -0.056332 TDE= -0.341436 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023896 logG= -0.028819 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062577 ETOT(band)= -0.067488 trlgG= -0.084165 logG= -0.006365 TDE= -0.042339 Density= 0.213915 ETOT(band)= -0.233812 trlgG= -0.292845 logG= -0.028819 TDE= -0.170703 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.022979 logG= -0.028172 Density= 0.216332 ETOT(band)= -0.231907 trlgG= -0.290453 logG= -0.028172 TDE= -0.170813 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024173 logG= -0.029227 Density= 0.322612 ETOT(band)= -0.350940 trlgG= -0.441792 logG= -0.029227 TDE= -0.171143 logGD-logG0= -0.010475 tlogG= -0.046437 logG= -0.056911 Density= 0.324158 ETOT(band)= -0.348623 trlgG= -0.437379 logG= -0.056911 TDE= -0.341903 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010479 tlogG= -0.047256 logG= -0.057734 Density= 0.324290 ETOT(band)= -0.349281 trlgG= -0.439464 logG= -0.057734 TDE= -0.342459 logGD-logG0= -0.005258 tlogG= -0.024097 logG= -0.029354 Density= 0.323226 ETOT(band)= -0.350917 trlgG= -0.442443 logG= -0.029354 TDE= -0.171332 logGD-logG0= -0.004611 tlogG= -0.023901 logG= -0.028512 Density= 0.213416 ETOT(band)= -0.233660 trlgG= -0.292338 logG= -0.028512 TDE= -0.170696 logGD-logG0= -0.004808 tlogG= -0.022338 logG= -0.027146 Density= 0.215150 ETOT(band)= -0.231767 trlgG= -0.288945 logG= -0.027146 TDE= -0.170166 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010712 tlogG= -0.048063 logG= -0.058775 Density= 0.323410 ETOT(band)= -0.350711 trlgG= -0.442142 logG= -0.058775 TDE= -0.342840 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023846 logG= -0.028691 logGD-logG0= -0.004750 tlogG= -0.024017 logG= -0.028767 Density= 0.214244 ETOT(band)= -0.233891 trlgG= -0.293976 logG= -0.028767 TDE= -0.171141 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213703 ETOT(band)= -0.233948 trlgG= -0.293582 logG= -0.028691 TDE= -0.170959 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.006879 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042643 trlgG= -0.052776 logG= -0.008465 TDE= -0.056435 logGD-logG0= -0.010197 tlogG= -0.045657 logG= -0.055854 logGD-logG0= -0.005427 tlogG= -0.023693 logG= -0.029120 logGD-logG0= -0.001576 tlogG= -0.007592 logG= -0.009168 Density= 0.071540 ETOT(band)= -0.077284 trlgG= -0.096106 logG= -0.009168 TDE= -0.056708 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324209 ETOT(band)= -0.347679 trlgG= -0.434761 logG= -0.055854 TDE= -0.341281 Density= 0.215518 ETOT(band)= -0.233429 trlgG= -0.293708 logG= -0.029120 TDE= -0.171165 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008973 tlogG= -0.048117 logG= -0.057090 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425812 ETOT(band)= -0.467928 trlgG= -0.586139 logG= -0.057090 TDE= -0.341603 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023381 logG= -0.028044 Density= 0.214310 ETOT(band)= -0.233178 trlgG= -0.292184 logG= -0.028044 TDE= -0.170820 logGD-logG0= -0.005364 tlogG= -0.023966 logG= -0.029330 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323820 ETOT(band)= -0.350388 trlgG= -0.441893 logG= -0.029330 TDE= -0.171391 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023208 logG= -0.028386 Density= 0.214987 ETOT(band)= -0.232767 trlgG= -0.291070 logG= -0.028386 TDE= -0.170528 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009661 tlogG= -0.047860 logG= -0.057520 Density= 0.428286 ETOT(band)= -0.467765 trlgG= -0.587537 logG= -0.057520 TDE= -0.342088 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009467 tlogG= -0.046735 logG= -0.056202 Density= 0.428153 ETOT(band)= -0.465738 trlgG= -0.581536 logG= -0.056202 TDE= -0.341041 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.048170 logG= -0.058333 logGD-logG0= -0.005040 tlogG= -0.023257 logG= -0.028297 Density= 0.429535 ETOT(band)= -0.467888 trlgG= -0.588313 logG= -0.058333 TDE= -0.342136 Density= 0.321884 ETOT(band)= -0.350280 trlgG= -0.439387 logG= -0.028297 TDE= -0.170766 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023369 logG= -0.028812 Density= 0.215222 ETOT(band)= -0.233169 trlgG= -0.292566 logG= -0.028812 TDE= -0.170872 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.047691 logG= -0.057963 Density= 0.428537 ETOT(band)= -0.467752 trlgG= -0.586869 logG= -0.057963 TDE= -0.341729 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.048245 logG= -0.058541 logGD-logG0= -0.010332 tlogG= -0.047979 logG= -0.058310 Density= 0.429439 ETOT(band)= -0.467849 trlgG= -0.587952 logG= -0.058310 TDE= -0.341971 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.046628 logG= -0.056153 Density= 0.430263 ETOT(band)= -0.467898 trlgG= -0.589079 logG= -0.058541 TDE= -0.342343 Density= 0.428352 ETOT(band)= -0.466462 trlgG= -0.584144 logG= -0.056153 TDE= -0.341459 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047755 logG= -0.058428 logGD-logG0= -0.010505 tlogG= -0.048095 logG= -0.058601 Density= 0.430971 ETOT(band)= -0.467158 trlgG= -0.588047 logG= -0.058428 TDE= -0.342487 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047876 logG= -0.057712 Density= 0.429373 ETOT(band)= -0.467550 trlgG= -0.587522 logG= -0.057712 TDE= -0.342077 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430369 ETOT(band)= -0.467729 trlgG= -0.588752 logG= -0.058601 TDE= -0.342469 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010784 tlogG= -0.047711 logG= -0.058495 Density= 0.431309 ETOT(band)= -0.467105 trlgG= -0.588410 logG= -0.058495 TDE= -0.342594 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.048036 logG= -0.058745 logGD-logG0= -0.001209 tlogG= -0.005311 logG= -0.006519 Density= 0.431547 ETOT(band)= -0.467388 trlgG= -0.589403 logG= -0.058745 TDE= -0.342858 Density= 0.081596 ETOT(band)= -0.085625 trlgG= -0.106166 logG= -0.006519 TDE= -0.042440 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009663 tlogG= -0.047676 logG= -0.057338 Density= 0.426936 ETOT(band)= -0.467966 trlgG= -0.586656 logG= -0.057338 TDE= -0.341618 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009953 tlogG= -0.046422 logG= -0.056375 Density= 0.429774 ETOT(band)= -0.465182 trlgG= -0.581228 logG= -0.056375 TDE= -0.341155 logGD-logG0= -0.010017 tlogG= -0.047580 logG= -0.057597 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428853 ETOT(band)= -0.467098 trlgG= -0.585915 logG= -0.057597 TDE= -0.341775 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.046955 logG= -0.057289 Density= 0.430114 ETOT(band)= -0.466102 trlgG= -0.583918 logG= -0.057289 TDE= -0.341439 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022339 logG= -0.027187 Density= 0.323051 ETOT(band)= -0.347705 trlgG= -0.433799 logG= -0.027187 TDE= -0.170161 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010259 tlogG= -0.047594 logG= -0.057853 logGD-logG0= -0.010733 tlogG= -0.047294 logG= -0.058027 Density= 0.430239 ETOT(band)= -0.466749 trlgG= -0.585847 logG= -0.057853 TDE= -0.341883 Density= 0.430705 ETOT(band)= -0.466733 trlgG= -0.586575 logG= -0.058027 TDE= -0.342103 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024141 logG= -0.028449 Density= 0.212317 ETOT(band)= -0.234161 trlgG= -0.293518 logG= -0.028449 TDE= -0.170889 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081241 ETOT(band)= -0.086290 trlgG= -0.107321 logG= -0.006699 TDE= -0.042551 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001698 tlogG= -0.007121 logG= -0.008819 Density= 0.072266 ETOT(band)= -0.076422 trlgG= -0.094799 logG= -0.008819 TDE= -0.056595 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.022303 logG= -0.027264 Density= 0.214390 ETOT(band)= -0.232248 trlgG= -0.289291 logG= -0.027264 TDE= -0.170079 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.022484 logG= -0.027413 Density= 0.215145 ETOT(band)= -0.231478 trlgG= -0.287901 logG= -0.027413 TDE= -0.170092 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.021892 logG= -0.026985 Density= 0.216735 ETOT(band)= -0.230113 trlgG= -0.286357 logG= -0.026985 TDE= -0.170140 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004978 tlogG= -0.022917 logG= -0.027894 Density= 0.214920 ETOT(band)= -0.232212 trlgG= -0.289543 logG= -0.027894 TDE= -0.170344 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.021364 logG= -0.026368 Density= 0.217125 ETOT(band)= -0.229009 trlgG= -0.284157 logG= -0.026368 TDE= -0.169809 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009842 tlogG= -0.044648 logG= -0.054489 Density= 0.431838 ETOT(band)= -0.461724 trlgG= -0.574464 logG= -0.054489 TDE= -0.340241 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.021219 logG= -0.026182 Density= 0.216457 ETOT(band)= -0.229864 trlgG= -0.285408 logG= -0.026182 TDE= -0.169716 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.559548310844 eV TrLogG= -407.145140454996 eV Ratio to renormalize= 0.999484413874 rho-rho_expected= 0.011348746028 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964482057217155 0.940047858643227 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011889 logG= -0.014222 Density= 0.053592 ETOT(band)= -0.058351 trlgG= -0.073224 logG= -0.014222 TDE= -0.085522 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023695 logG= -0.028997 logGD-logG0= -0.005010 tlogG= -0.023656 logG= -0.028667 Density= 0.107290 ETOT(band)= -0.116904 trlgG= -0.146761 logG= -0.028997 TDE= -0.170857 Density= 0.107041 ETOT(band)= -0.116830 trlgG= -0.146210 logG= -0.028667 TDE= -0.170512 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004693 tlogG= -0.023680 logG= -0.028373 Density= 0.106665 ETOT(band)= -0.116855 trlgG= -0.146294 logG= -0.028373 TDE= -0.170704 logGD-logG0= -0.004724 tlogG= -0.023697 logG= -0.028421 Density= 0.107039 ETOT(band)= -0.116741 trlgG= -0.146402 logG= -0.028421 TDE= -0.170950 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023210 logG= -0.028526 Density= 0.107739 ETOT(band)= -0.116451 trlgG= -0.146070 logG= -0.028526 TDE= -0.170858 logGD-logG0= -0.004758 tlogG= -0.022863 logG= -0.027620 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107359 ETOT(band)= -0.116139 trlgG= -0.144973 logG= -0.027620 TDE= -0.170479 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004730 trlgG= -0.005850 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012038 logG= -0.014648 Density= 0.053791 ETOT(band)= -0.058486 trlgG= -0.073643 logG= -0.014648 TDE= -0.085614 logGD-logG0= -0.002341 tlogG= -0.011453 logG= -0.013794 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053767 ETOT(band)= -0.058022 trlgG= -0.072461 logG= -0.013794 TDE= -0.085273 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035515 ETOT(band)= -0.038890 trlgG= -0.048578 logG= -0.009305 TDE= -0.056848 logGD-logG0= -0.002472 tlogG= -0.010847 logG= -0.013319 Density= 0.054091 ETOT(band)= -0.057545 trlgG= -0.071506 logG= -0.013319 TDE= -0.084954 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009457 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048941 logG= -0.009457 TDE= -0.056971 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011989 logG= -0.014557 logGD-logG0= -0.002428 tlogG= -0.012087 logG= -0.014515 Density= 0.054162 ETOT(band)= -0.058251 trlgG= -0.073511 logG= -0.014557 TDE= -0.085756 Density= 0.053614 ETOT(band)= -0.058495 trlgG= -0.073586 logG= -0.014515 TDE= -0.085602 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.022994 logG= -0.028116 Density= 0.108187 ETOT(band)= -0.116019 trlgG= -0.145437 logG= -0.028116 TDE= -0.170858 logGD-logG0= -0.005164 tlogG= -0.023441 logG= -0.028605 logGD-logG0= -0.005157 tlogG= -0.023960 logG= -0.029117 Density= 0.108278 ETOT(band)= -0.116526 trlgG= -0.147026 logG= -0.029117 TDE= -0.171490 Density= 0.108182 ETOT(band)= -0.116289 trlgG= -0.146211 logG= -0.028605 TDE= -0.171140 logGD-logG0= -0.005053 tlogG= -0.022470 logG= -0.027523 Density= 0.108256 ETOT(band)= -0.115646 trlgG= -0.144491 logG= -0.027523 TDE= -0.170539 logGD-logG0= -0.005307 tlogG= -0.024096 logG= -0.029403 logGD-logG0= -0.005169 tlogG= -0.023774 logG= -0.028943 Density= 0.108228 ETOT(band)= -0.116451 trlgG= -0.146747 logG= -0.028943 TDE= -0.171360 Density= 0.107940 ETOT(band)= -0.116883 trlgG= -0.147500 logG= -0.029403 TDE= -0.171510 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004557 tlogG= -0.024057 logG= -0.028614 Density= 0.106457 ETOT(band)= -0.117047 trlgG= -0.146710 logG= -0.028614 TDE= -0.170777 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014630 logGD-logG0= -0.004362 tlogG= -0.023984 logG= -0.028346 Density= 0.106241 ETOT(band)= -0.117013 trlgG= -0.146585 logG= -0.028346 TDE= -0.170812 logGD-logG0= -0.005294 tlogG= -0.024083 logG= -0.029377 logGD-logG0= -0.004638 tlogG= -0.023215 logG= -0.027853 Density= 0.106804 ETOT(band)= -0.116519 trlgG= -0.145383 logG= -0.027853 TDE= -0.170382 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054009 ETOT(band)= -0.058371 trlgG= -0.073630 logG= -0.014630 TDE= -0.085726 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107697 ETOT(band)= -0.116974 trlgG= -0.147433 logG= -0.029377 TDE= -0.171350 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023882 logG= -0.029025 Density= 0.108298 ETOT(band)= -0.116462 trlgG= -0.146877 logG= -0.029025 TDE= -0.171443 logGD-logG0= -0.005326 tlogG= -0.023915 logG= -0.029241 logGD-logG0= -0.005146 tlogG= -0.023616 logG= -0.028762 Density= 0.108253 ETOT(band)= -0.116336 trlgG= -0.146456 logG= -0.028762 TDE= -0.171264 Density= 0.107805 ETOT(band)= -0.116841 trlgG= -0.147220 logG= -0.029241 TDE= -0.171326 logGD-logG0= -0.005009 tlogG= -0.024104 logG= -0.029113 Density= 0.107437 ETOT(band)= -0.116936 trlgG= -0.147058 logG= -0.029113 TDE= -0.171110 logGD-logG0= -0.004971 tlogG= -0.022183 logG= -0.027153 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108411 ETOT(band)= -0.115341 trlgG= -0.143885 logG= -0.027153 TDE= -0.170379 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024142 logG= -0.029482 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107864 ETOT(band)= -0.116970 trlgG= -0.147624 logG= -0.029482 TDE= -0.171518 logGD-logG0= -0.005245 tlogG= -0.023978 logG= -0.029223 logGD-logG0= -0.005115 tlogG= -0.023227 logG= -0.028342 Density= 0.107501 ETOT(band)= -0.116958 trlgG= -0.147158 logG= -0.029223 TDE= -0.171132 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108245 ETOT(band)= -0.116113 trlgG= -0.145793 logG= -0.028342 TDE= -0.171017 logGD-logG0= -0.004880 tlogG= -0.022862 logG= -0.027742 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023699 logG= -0.028545 Density= 0.107437 ETOT(band)= -0.116626 trlgG= -0.146316 logG= -0.028545 TDE= -0.170936 logGD-logG0= -0.005029 tlogG= -0.022420 logG= -0.027449 Density= 0.107693 ETOT(band)= -0.115869 trlgG= -0.144365 logG= -0.027449 TDE= -0.170208 Density= 0.107805 ETOT(band)= -0.115998 trlgG= -0.144851 logG= -0.027742 TDE= -0.170456 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.023000 logG= -0.027724 Density= 0.106938 ETOT(band)= -0.116389 trlgG= -0.145121 logG= -0.027724 TDE= -0.170315 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023511 logG= -0.028259 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106839 ETOT(band)= -0.116710 trlgG= -0.145869 logG= -0.028259 TDE= -0.170479 logGD-logG0= -0.005049 tlogG= -0.022746 logG= -0.027795 Density= 0.108300 ETOT(band)= -0.115783 trlgG= -0.144927 logG= -0.027795 TDE= -0.170725 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024061 logG= -0.028396 Density= 0.106189 ETOT(band)= -0.117056 trlgG= -0.146697 logG= -0.028396 TDE= -0.170850 logGD-logG0= -0.005282 tlogG= -0.024067 logG= -0.029350 logGD-logG0= -0.004915 tlogG= -0.023906 logG= -0.028821 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107999 ETOT(band)= -0.116816 trlgG= -0.147412 logG= -0.029350 TDE= -0.171505 Density= 0.106821 ETOT(band)= -0.117011 trlgG= -0.146822 logG= -0.028821 TDE= -0.170861 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004897 tlogG= -0.024079 logG= -0.028975 Density= 0.107117 ETOT(band)= -0.116995 trlgG= -0.147080 logG= -0.028975 TDE= -0.171111 logGD-logG0= -0.005293 tlogG= -0.023879 logG= -0.029173 logGD-logG0= -0.005126 tlogG= -0.022888 logG= -0.028014 Density= 0.107968 ETOT(band)= -0.116710 trlgG= -0.147116 logG= -0.029173 TDE= -0.171371 Density= 0.107674 ETOT(band)= -0.116202 trlgG= -0.145260 logG= -0.028014 TDE= -0.170529 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009815 tlogG= -0.048265 logG= -0.058080 Density= 0.214521 ETOT(band)= -0.233951 trlgG= -0.294237 logG= -0.058080 TDE= -0.342313 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023589 logG= -0.028920 Density= 0.107854 ETOT(band)= -0.116613 trlgG= -0.146700 logG= -0.028920 TDE= -0.171152 logGD-logG0= -0.009505 tlogG= -0.045783 logG= -0.055288 logGD-logG0= -0.009135 tlogG= -0.047653 logG= -0.056788 Density= 0.215138 ETOT(band)= -0.232115 trlgG= -0.289851 logG= -0.055288 TDE= -0.341025 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213063 ETOT(band)= -0.233830 trlgG= -0.292724 logG= -0.056788 TDE= -0.341370 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.047956 logG= -0.057517 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.047180 logG= -0.056861 Density= 0.213405 ETOT(band)= -0.234043 trlgG= -0.293366 logG= -0.057517 TDE= -0.341452 Density= 0.213896 ETOT(band)= -0.233539 trlgG= -0.292656 logG= -0.056861 TDE= -0.341641 logGD-logG0= -0.009961 tlogG= -0.047921 logG= -0.057881 Density= 0.214093 ETOT(band)= -0.233985 trlgG= -0.293921 logG= -0.057881 TDE= -0.341984 logGD-logG0= -0.009784 tlogG= -0.045612 logG= -0.055395 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214490 ETOT(band)= -0.232460 trlgG= -0.290023 logG= -0.055395 TDE= -0.340768 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009455 tlogG= -0.047468 logG= -0.056923 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214435 ETOT(band)= -0.233374 trlgG= -0.292791 logG= -0.056923 TDE= -0.341981 logGD-logG0= -0.009836 tlogG= -0.047181 logG= -0.057017 logGD-logG0= -0.010536 tlogG= -0.047770 logG= -0.058306 Density= 0.213906 ETOT(band)= -0.233584 trlgG= -0.292448 logG= -0.057017 TDE= -0.341283 Density= 0.214873 ETOT(band)= -0.233878 trlgG= -0.294069 logG= -0.058306 TDE= -0.342092 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048105 logG= -0.058596 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215183 ETOT(band)= -0.233934 trlgG= -0.294582 logG= -0.058596 TDE= -0.342469 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010084 tlogG= -0.048051 logG= -0.058135 Density= 0.214650 ETOT(band)= -0.233899 trlgG= -0.293989 logG= -0.058135 TDE= -0.342073 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 logGD-logG0= -0.010400 tlogG= -0.047810 logG= -0.058210 logGD-logG0= -0.009888 tlogG= -0.045673 logG= -0.055561 Density= 0.215268 ETOT(band)= -0.232192 trlgG= -0.289845 logG= -0.055561 TDE= -0.340809 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036213 ETOT(band)= -0.038098 trlgG= -0.047227 logG= -0.008626 TDE= -0.056520 Density= 0.214773 ETOT(band)= -0.233871 trlgG= -0.293898 logG= -0.058210 TDE= -0.341969 logGD-logG0= -0.010197 tlogG= -0.047685 logG= -0.057882 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010339 tlogG= -0.048005 logG= -0.058343 Density= 0.215186 ETOT(band)= -0.233789 trlgG= -0.294166 logG= -0.058343 TDE= -0.342307 logGD-logG0= -0.010571 tlogG= -0.048040 logG= -0.058611 Density= 0.215220 ETOT(band)= -0.233926 trlgG= -0.294609 logG= -0.058611 TDE= -0.342499 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007308 logG= -0.009004 Density= 0.035864 ETOT(band)= -0.038544 trlgG= -0.047884 logG= -0.009004 TDE= -0.056627 logGD-logG0= -0.010422 tlogG= -0.047336 logG= -0.057759 Density= 0.214074 ETOT(band)= -0.233973 trlgG= -0.293674 logG= -0.057882 TDE= -0.341727 logGD-logG0= -0.002412 tlogG= -0.010433 logG= -0.012845 Density= 0.054403 ETOT(band)= -0.057030 trlgG= -0.070663 logG= -0.012845 TDE= -0.084739 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214384 ETOT(band)= -0.233768 trlgG= -0.293151 logG= -0.057759 TDE= -0.341480 logGD-logG0= -0.010562 tlogG= -0.047960 logG= -0.058523 Density= 0.216001 ETOT(band)= -0.233505 trlgG= -0.294525 logG= -0.058523 TDE= -0.342891 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.048172 logG= -0.058855 Density= 0.215533 ETOT(band)= -0.233953 trlgG= -0.295049 logG= -0.058855 TDE= -0.342849 logGD-logG0= -0.010636 tlogG= -0.047548 logG= -0.058184 Density= 0.215807 ETOT(band)= -0.233387 trlgG= -0.293962 logG= -0.058184 TDE= -0.342570 logGD-logG0= -0.010198 tlogG= -0.046438 logG= -0.056637 Density= 0.215331 ETOT(band)= -0.232756 trlgG= -0.291475 logG= -0.056637 TDE= -0.341395 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010617 tlogG= -0.047909 logG= -0.058525 logGD-logG0= -0.010593 tlogG= -0.047449 logG= -0.058042 Density= 0.215874 ETOT(band)= -0.233576 trlgG= -0.294526 logG= -0.058525 TDE= -0.342826 Density= 0.215577 ETOT(band)= -0.233425 trlgG= -0.293719 logG= -0.058042 TDE= -0.342355 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047247 logG= -0.057056 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214598 ETOT(band)= -0.233337 trlgG= -0.292567 logG= -0.057056 TDE= -0.341705 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.047177 logG= -0.057287 Density= 0.215265 ETOT(band)= -0.233157 trlgG= -0.292490 logG= -0.057287 TDE= -0.341727 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.046907 logG= -0.057543 Density= 0.215541 ETOT(band)= -0.233149 trlgG= -0.292919 logG= -0.057543 TDE= -0.342037 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.021578 logG= -0.026498 Density= 0.108566 ETOT(band)= -0.114792 trlgG= -0.142758 logG= -0.026498 TDE= -0.169984 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004840 tlogG= -0.021003 logG= -0.025843 Density= 0.108760 ETOT(band)= -0.114206 trlgG= -0.141604 logG= -0.025843 TDE= -0.169581 logGD-logG0= -0.005006 tlogG= -0.021888 logG= -0.026894 Density= 0.108377 ETOT(band)= -0.115157 trlgG= -0.143436 logG= -0.026894 TDE= -0.170172 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005028 tlogG= -0.021706 logG= -0.026734 Density= 0.107989 ETOT(band)= -0.115250 trlgG= -0.143185 logG= -0.026734 TDE= -0.169889 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043414 logG= -0.053463 Density= 0.216388 ETOT(band)= -0.230293 trlgG= -0.286349 logG= -0.053463 TDE= -0.339965 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.021829 logG= -0.026916 Density= 0.107847 ETOT(band)= -0.115441 trlgG= -0.143493 logG= -0.026916 TDE= -0.169945 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001262 tlogG= -0.005751 logG= -0.007012 Density= 0.080680 ETOT(band)= -0.087327 trlgG= -0.109556 logG= -0.007012 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023967 logG= -0.029055 Density= 0.214461 ETOT(band)= -0.233902 trlgG= -0.293758 logG= -0.029055 TDE= -0.170974 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023254 logG= -0.028048 Density= 0.213632 ETOT(band)= -0.233414 trlgG= -0.292064 logG= -0.028048 TDE= -0.170655 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023381 logG= -0.028044 Density= 0.214309 ETOT(band)= -0.233178 trlgG= -0.292183 logG= -0.028044 TDE= -0.170820 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023369 logG= -0.028812 Density= 0.215221 ETOT(band)= -0.233168 trlgG= -0.292566 logG= -0.028812 TDE= -0.170872 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023896 logG= -0.028819 Density= 0.213915 ETOT(band)= -0.233812 trlgG= -0.292845 logG= -0.028819 TDE= -0.170703 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005623 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086900 trlgG= -0.108556 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081241 ETOT(band)= -0.086289 trlgG= -0.107321 logG= -0.006699 TDE= -0.042551 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004808 tlogG= -0.022338 logG= -0.027146 Density= 0.215150 ETOT(band)= -0.231766 trlgG= -0.288945 logG= -0.027146 TDE= -0.170166 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004585 tlogG= -0.023984 logG= -0.028569 Density= 0.212946 ETOT(band)= -0.234065 trlgG= -0.293327 logG= -0.028569 TDE= -0.170744 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023425 logG= -0.028647 Density= 0.216302 ETOT(band)= -0.232481 trlgG= -0.292067 logG= -0.028647 TDE= -0.171099 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022452 logG= -0.027582 Density= 0.216478 ETOT(band)= -0.231110 trlgG= -0.288470 logG= -0.027582 TDE= -0.170479 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.022979 logG= -0.028172 Density= 0.216332 ETOT(band)= -0.231907 trlgG= -0.290452 logG= -0.028172 TDE= -0.170813 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 Density= 0.081099 ETOT(band)= -0.087484 trlgG= -0.110364 logG= -0.007266 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023846 logG= -0.028691 Density= 0.213702 ETOT(band)= -0.233948 trlgG= -0.293581 logG= -0.028691 TDE= -0.170959 logGD-logG0= -0.004750 tlogG= -0.024017 logG= -0.028767 Density= 0.214244 ETOT(band)= -0.233891 trlgG= -0.293976 logG= -0.028767 TDE= -0.171141 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007135 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080691 ETOT(band)= -0.087542 trlgG= -0.110111 logG= -0.007135 TDE= -0.042790 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005942 logG= -0.007223 Density= 0.080872 ETOT(band)= -0.087579 trlgG= -0.110309 logG= -0.007223 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007969 logG= -0.009405 Density= 0.070914 ETOT(band)= -0.077880 trlgG= -0.097398 logG= -0.009405 TDE= -0.056932 logGD-logG0= -0.005239 tlogG= -0.024011 logG= -0.029249 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215793 ETOT(band)= -0.233675 trlgG= -0.294679 logG= -0.029249 TDE= -0.171487 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023208 logG= -0.028386 Density= 0.214987 ETOT(band)= -0.232767 trlgG= -0.291070 logG= -0.028386 TDE= -0.170528 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023809 logG= -0.029081 Density= 0.215445 ETOT(band)= -0.233578 trlgG= -0.294026 logG= -0.029081 TDE= -0.171335 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024009 logG= -0.029212 Density= 0.216456 ETOT(band)= -0.233163 trlgG= -0.294211 logG= -0.029212 TDE= -0.171505 logGD-logG0= -0.005261 tlogG= -0.023496 logG= -0.028758 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215329 ETOT(band)= -0.233143 trlgG= -0.292762 logG= -0.028758 TDE= -0.171078 logGD-logG0= -0.005085 tlogG= -0.023857 logG= -0.028942 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215605 ETOT(band)= -0.233575 trlgG= -0.294127 logG= -0.028942 TDE= -0.171022 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024016 logG= -0.028799 Density= 0.321747 ETOT(band)= -0.350819 trlgG= -0.441112 logG= -0.028799 TDE= -0.171137 logGD-logG0= -0.005331 tlogG= -0.024131 logG= -0.029462 Density= 0.215825 ETOT(band)= -0.233831 trlgG= -0.295093 logG= -0.029462 TDE= -0.171519 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004443 tlogG= -0.023750 logG= -0.028192 Density= 0.213225 ETOT(band)= -0.233382 trlgG= -0.291603 logG= -0.028192 TDE= -0.170691 logGD-logG0= -0.005054 tlogG= -0.024173 logG= -0.029227 Density= 0.322611 ETOT(band)= -0.350940 trlgG= -0.441791 logG= -0.029227 TDE= -0.171143 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023966 logG= -0.029162 Density= 0.216490 ETOT(band)= -0.233060 trlgG= -0.293979 logG= -0.029162 TDE= -0.171478 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062577 ETOT(band)= -0.067488 trlgG= -0.084165 logG= -0.006365 TDE= -0.042338 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005215 tlogG= -0.023772 logG= -0.028987 Density= 0.216381 ETOT(band)= -0.232861 trlgG= -0.293274 logG= -0.028987 TDE= -0.171338 logGD-logG0= -0.004695 tlogG= -0.023378 logG= -0.028073 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321821 ETOT(band)= -0.349771 trlgG= -0.438536 logG= -0.028073 TDE= -0.170812 logGD-logG0= -0.004498 tlogG= -0.023596 logG= -0.028095 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212761 ETOT(band)= -0.233785 trlgG= -0.292574 logG= -0.028095 TDE= -0.170606 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010712 tlogG= -0.048063 logG= -0.058775 logGD-logG0= -0.005028 tlogG= -0.024167 logG= -0.029196 Density= 0.214857 ETOT(band)= -0.233978 trlgG= -0.294376 logG= -0.029196 TDE= -0.171148 Density= 0.323410 ETOT(band)= -0.350710 trlgG= -0.442142 logG= -0.058775 TDE= -0.342840 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010434 tlogG= -0.047806 logG= -0.058239 Density= 0.324504 ETOT(band)= -0.349649 trlgG= -0.440813 logG= -0.058239 TDE= -0.342850 logGD-logG0= -0.004611 tlogG= -0.023901 logG= -0.028512 Density= 0.213416 ETOT(band)= -0.233660 trlgG= -0.292337 logG= -0.028512 TDE= -0.170696 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023907 logG= -0.029286 Density= 0.215753 ETOT(band)= -0.233578 trlgG= -0.294407 logG= -0.029286 TDE= -0.171342 logGD-logG0= -0.010479 tlogG= -0.047256 logG= -0.057735 Density= 0.324289 ETOT(band)= -0.349280 trlgG= -0.439464 logG= -0.057735 TDE= -0.342459 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.045657 logG= -0.055854 Density= 0.324209 ETOT(band)= -0.347679 trlgG= -0.434761 logG= -0.055854 TDE= -0.341281 logGD-logG0= -0.001587 tlogG= -0.006879 logG= -0.008465 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040866 ETOT(band)= -0.042643 trlgG= -0.052776 logG= -0.008465 TDE= -0.056435 logGD-logG0= -0.010475 tlogG= -0.046437 logG= -0.056911 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324157 ETOT(band)= -0.348623 trlgG= -0.437378 logG= -0.056911 TDE= -0.341903 logGD-logG0= -0.005040 tlogG= -0.023257 logG= -0.028297 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321884 ETOT(band)= -0.350279 trlgG= -0.439387 logG= -0.028297 TDE= -0.170765 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009705 tlogG= -0.046628 logG= -0.056333 Density= 0.322882 ETOT(band)= -0.348735 trlgG= -0.436188 logG= -0.056333 TDE= -0.341435 logGD-logG0= -0.004978 tlogG= -0.022917 logG= -0.027895 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214919 ETOT(band)= -0.232212 trlgG= -0.289543 logG= -0.027895 TDE= -0.170344 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023966 logG= -0.029330 Density= 0.323820 ETOT(band)= -0.350387 trlgG= -0.441892 logG= -0.029330 TDE= -0.171391 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024097 logG= -0.029354 Density= 0.323226 ETOT(band)= -0.350916 trlgG= -0.442443 logG= -0.029354 TDE= -0.171332 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008974 tlogG= -0.048117 logG= -0.057090 Density= 0.425812 ETOT(band)= -0.467927 trlgG= -0.586138 logG= -0.057090 TDE= -0.341603 logGD-logG0= -0.005427 tlogG= -0.023693 logG= -0.029120 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215518 ETOT(band)= -0.233428 trlgG= -0.293707 logG= -0.029120 TDE= -0.171165 logGD-logG0= -0.009661 tlogG= -0.047860 logG= -0.057520 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428286 ETOT(band)= -0.467764 trlgG= -0.587536 logG= -0.057520 TDE= -0.342088 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007592 logG= -0.009168 Density= 0.071540 ETOT(band)= -0.077284 trlgG= -0.096105 logG= -0.009168 TDE= -0.056708 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009467 tlogG= -0.046735 logG= -0.056202 Density= 0.428152 ETOT(band)= -0.465738 trlgG= -0.581535 logG= -0.056202 TDE= -0.341041 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.048170 logG= -0.058334 logGD-logG0= -0.010272 tlogG= -0.047691 logG= -0.057963 Density= 0.428536 ETOT(band)= -0.467751 trlgG= -0.586869 logG= -0.057963 TDE= -0.341728 Density= 0.429535 ETOT(band)= -0.467888 trlgG= -0.588313 logG= -0.058334 TDE= -0.342136 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.046628 logG= -0.056153 logGD-logG0= -0.004922 tlogG= -0.021315 logG= -0.026236 Density= 0.428351 ETOT(band)= -0.466461 trlgG= -0.584143 logG= -0.056153 TDE= -0.341458 Density= 0.162726 ETOT(band)= -0.172858 trlgG= -0.215821 logG= -0.026236 TDE= -0.169796 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009663 tlogG= -0.047676 logG= -0.057339 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.426935 ETOT(band)= -0.467965 trlgG= -0.586656 logG= -0.057339 TDE= -0.341617 logGD-logG0= -0.009836 tlogG= -0.047876 logG= -0.057712 logGD-logG0= -0.010332 tlogG= -0.047979 logG= -0.058311 Density= 0.429439 ETOT(band)= -0.467849 trlgG= -0.587952 logG= -0.058311 TDE= -0.341970 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429373 ETOT(band)= -0.467550 trlgG= -0.587522 logG= -0.057712 TDE= -0.342077 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.048245 logG= -0.058541 Density= 0.430263 ETOT(band)= -0.467897 trlgG= -0.589078 logG= -0.058541 TDE= -0.342343 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009617 tlogG= -0.047794 logG= -0.057411 Density= 0.427435 ETOT(band)= -0.467520 trlgG= -0.585515 logG= -0.057411 TDE= -0.341320 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010505 tlogG= -0.048095 logG= -0.058601 Density= 0.430369 ETOT(band)= -0.467729 trlgG= -0.588752 logG= -0.058601 TDE= -0.342468 logGD-logG0= -0.010784 tlogG= -0.047711 logG= -0.058495 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431309 ETOT(band)= -0.467104 trlgG= -0.588410 logG= -0.058495 TDE= -0.342593 logGD-logG0= -0.009953 tlogG= -0.046422 logG= -0.056375 Density= 0.429773 ETOT(band)= -0.465182 trlgG= -0.581227 logG= -0.056375 TDE= -0.341155 logGD-logG0= -0.010673 tlogG= -0.047755 logG= -0.058429 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430971 ETOT(band)= -0.467158 trlgG= -0.588046 logG= -0.058429 TDE= -0.342486 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.048036 logG= -0.058745 Density= 0.431546 ETOT(band)= -0.467388 trlgG= -0.589403 logG= -0.058745 TDE= -0.342858 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.046955 logG= -0.057290 logGD-logG0= -0.010017 tlogG= -0.047580 logG= -0.057597 Density= 0.430113 ETOT(band)= -0.466101 trlgG= -0.583918 logG= -0.057290 TDE= -0.341439 Density= 0.428852 ETOT(band)= -0.467098 trlgG= -0.585915 logG= -0.057597 TDE= -0.341774 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047594 logG= -0.057853 logGD-logG0= -0.004308 tlogG= -0.024141 logG= -0.028449 Density= 0.212317 ETOT(band)= -0.234161 trlgG= -0.293518 logG= -0.028449 TDE= -0.170888 Density= 0.430239 ETOT(band)= -0.466749 trlgG= -0.585847 logG= -0.057853 TDE= -0.341883 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047294 logG= -0.058027 Density= 0.430705 ETOT(band)= -0.466732 trlgG= -0.586574 logG= -0.058027 TDE= -0.342103 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022339 logG= -0.027187 Density= 0.323051 ETOT(band)= -0.347704 trlgG= -0.433799 logG= -0.027187 TDE= -0.170161 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001209 tlogG= -0.005311 logG= -0.006519 Density= 0.081596 ETOT(band)= -0.085625 trlgG= -0.106166 logG= -0.006519 TDE= -0.042440 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009992 tlogG= -0.044647 logG= -0.054639 Density= 0.324452 ETOT(band)= -0.346410 trlgG= -0.431755 logG= -0.054639 TDE= -0.340605 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001698 tlogG= -0.007121 logG= -0.008819 Density= 0.072266 ETOT(band)= -0.076422 trlgG= -0.094799 logG= -0.008819 TDE= -0.056594 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.022303 logG= -0.027264 Density= 0.214390 ETOT(band)= -0.232248 trlgG= -0.289291 logG= -0.027264 TDE= -0.170079 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005093 tlogG= -0.021892 logG= -0.026985 Density= 0.216734 ETOT(band)= -0.230113 trlgG= -0.286357 logG= -0.026985 TDE= -0.170140 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021364 logG= -0.026368 Density= 0.217125 ETOT(band)= -0.229009 trlgG= -0.284157 logG= -0.026368 TDE= -0.169809 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.021219 logG= -0.026182 Density= 0.216457 ETOT(band)= -0.229864 trlgG= -0.285407 logG= -0.026182 TDE= -0.169716 logGD-logG0= -0.009842 tlogG= -0.044648 logG= -0.054490 Density= 0.431838 ETOT(band)= -0.461723 trlgG= -0.574464 logG= -0.054490 TDE= -0.340241 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.022484 logG= -0.027413 Density= 0.215145 ETOT(band)= -0.231478 trlgG= -0.287901 logG= -0.027413 TDE= -0.170092 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.559113438139 eV TrLogG= -407.144604099463 eV Ratio to renormalize= 0.999485388597 rho-rho_expected= 0.011327280010 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964483238297110 0.940050073771760 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002341 tlogG= -0.011453 logG= -0.013794 logGD-logG0= -0.002333 tlogG= -0.011889 logG= -0.014222 Density= 0.053592 ETOT(band)= -0.058351 trlgG= -0.073224 logG= -0.014222 TDE= -0.085522 Density= 0.053767 ETOT(band)= -0.058022 trlgG= -0.072461 logG= -0.013794 TDE= -0.085274 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004557 tlogG= -0.024057 logG= -0.028614 Density= 0.106457 ETOT(band)= -0.117047 trlgG= -0.146711 logG= -0.028614 TDE= -0.170777 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023656 logG= -0.028667 logGD-logG0= -0.005302 tlogG= -0.023695 logG= -0.028997 Density= 0.107291 ETOT(band)= -0.116904 trlgG= -0.146762 logG= -0.028997 TDE= -0.170858 logGD-logG0= -0.005115 tlogG= -0.023227 logG= -0.028342 Density= 0.108245 ETOT(band)= -0.116113 trlgG= -0.145793 logG= -0.028342 TDE= -0.171017 Density= 0.107041 ETOT(band)= -0.116831 trlgG= -0.146210 logG= -0.028667 TDE= -0.170512 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023697 logG= -0.028421 Density= 0.107039 ETOT(band)= -0.116741 trlgG= -0.146402 logG= -0.028421 TDE= -0.170950 logGD-logG0= -0.004757 tlogG= -0.022863 logG= -0.027620 Density= 0.107359 ETOT(band)= -0.116139 trlgG= -0.144973 logG= -0.027620 TDE= -0.170480 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004730 trlgG= -0.005850 logG= -0.001050 TDE= -0.007049 logGD-logG0= -0.002428 tlogG= -0.012087 logG= -0.014515 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012038 logG= -0.014648 Density= 0.053614 ETOT(band)= -0.058495 trlgG= -0.073586 logG= -0.014515 TDE= -0.085602 Density= 0.053791 ETOT(band)= -0.058486 trlgG= -0.073643 logG= -0.014648 TDE= -0.085614 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035515 ETOT(band)= -0.038890 trlgG= -0.048578 logG= -0.009305 TDE= -0.056848 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009457 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048941 logG= -0.009457 TDE= -0.056971 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024061 logG= -0.028395 logGD-logG0= -0.002568 tlogG= -0.011989 logG= -0.014557 logGD-logG0= -0.005164 tlogG= -0.023441 logG= -0.028605 logGD-logG0= -0.005294 tlogG= -0.024083 logG= -0.029377 Density= 0.108182 ETOT(band)= -0.116289 trlgG= -0.146211 logG= -0.028605 TDE= -0.171140 Density= 0.107697 ETOT(band)= -0.116974 trlgG= -0.147433 logG= -0.029377 TDE= -0.171350 Density= 0.054162 ETOT(band)= -0.058251 trlgG= -0.073511 logG= -0.014557 TDE= -0.085756 Density= 0.106190 ETOT(band)= -0.117056 trlgG= -0.146698 logG= -0.028395 TDE= -0.170850 logGD-logG0= -0.005053 tlogG= -0.022470 logG= -0.027523 Density= 0.108256 ETOT(band)= -0.115646 trlgG= -0.144491 logG= -0.027523 TDE= -0.170539 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.022994 logG= -0.028115 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108187 ETOT(band)= -0.116019 trlgG= -0.145437 logG= -0.028115 TDE= -0.170858 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004362 tlogG= -0.023984 logG= -0.028346 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106241 ETOT(band)= -0.117013 trlgG= -0.146585 logG= -0.028346 TDE= -0.170813 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023774 logG= -0.028943 Density= 0.108228 ETOT(band)= -0.116451 trlgG= -0.146747 logG= -0.028943 TDE= -0.171361 logGD-logG0= -0.004970 tlogG= -0.022183 logG= -0.027153 Density= 0.108411 ETOT(band)= -0.115342 trlgG= -0.143885 logG= -0.027153 TDE= -0.170379 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023960 logG= -0.029117 Density= 0.108278 ETOT(band)= -0.116527 trlgG= -0.147026 logG= -0.029117 TDE= -0.171491 logGD-logG0= -0.005029 tlogG= -0.022420 logG= -0.027449 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014630 Density= 0.054009 ETOT(band)= -0.058371 trlgG= -0.073630 logG= -0.014630 TDE= -0.085727 logGD-logG0= -0.004846 tlogG= -0.023699 logG= -0.028545 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107437 ETOT(band)= -0.116626 trlgG= -0.146316 logG= -0.028545 TDE= -0.170936 Density= 0.107693 ETOT(band)= -0.115869 trlgG= -0.144365 logG= -0.027449 TDE= -0.170209 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023882 logG= -0.029025 Density= 0.108299 ETOT(band)= -0.116462 trlgG= -0.146877 logG= -0.029025 TDE= -0.171444 logGD-logG0= -0.004748 tlogG= -0.023511 logG= -0.028259 Density= 0.106839 ETOT(band)= -0.116710 trlgG= -0.145869 logG= -0.028259 TDE= -0.170479 logGD-logG0= -0.005340 tlogG= -0.024142 logG= -0.029481 Density= 0.107864 ETOT(band)= -0.116970 trlgG= -0.147624 logG= -0.029481 TDE= -0.171519 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.024096 logG= -0.029403 logGD-logG0= -0.005049 tlogG= -0.022746 logG= -0.027795 Density= 0.108300 ETOT(band)= -0.115784 trlgG= -0.144927 logG= -0.027795 TDE= -0.170725 Density= 0.107940 ETOT(band)= -0.116883 trlgG= -0.147500 logG= -0.029403 TDE= -0.171511 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023616 logG= -0.028762 Density= 0.108254 ETOT(band)= -0.116336 trlgG= -0.146456 logG= -0.028762 TDE= -0.171264 logGD-logG0= -0.004725 tlogG= -0.023000 logG= -0.027724 Density= 0.106938 ETOT(band)= -0.116389 trlgG= -0.145121 logG= -0.027724 TDE= -0.170315 logGD-logG0= -0.005009 tlogG= -0.024104 logG= -0.029113 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107437 ETOT(band)= -0.116936 trlgG= -0.147058 logG= -0.029113 TDE= -0.171110 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023906 logG= -0.028821 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106821 ETOT(band)= -0.117011 trlgG= -0.146822 logG= -0.028821 TDE= -0.170862 logGD-logG0= -0.005245 tlogG= -0.023978 logG= -0.029223 logGD-logG0= -0.005326 tlogG= -0.023915 logG= -0.029241 logGD-logG0= -0.005126 tlogG= -0.022888 logG= -0.028014 Density= 0.107674 ETOT(band)= -0.116202 trlgG= -0.145260 logG= -0.028014 TDE= -0.170529 Density= 0.107501 ETOT(band)= -0.116958 trlgG= -0.147159 logG= -0.029223 TDE= -0.171132 Density= 0.107805 ETOT(band)= -0.116841 trlgG= -0.147220 logG= -0.029241 TDE= -0.171326 logGD-logG0= -0.004880 tlogG= -0.022861 logG= -0.027742 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004693 tlogG= -0.023680 logG= -0.028373 Density= 0.107805 ETOT(band)= -0.115999 trlgG= -0.144851 logG= -0.027742 TDE= -0.170457 logGD-logG0= -0.004896 tlogG= -0.024079 logG= -0.028975 Density= 0.107117 ETOT(band)= -0.116995 trlgG= -0.147080 logG= -0.028975 TDE= -0.171111 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106665 ETOT(band)= -0.116855 trlgG= -0.146294 logG= -0.028373 TDE= -0.170704 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023210 logG= -0.028526 Density= 0.107739 ETOT(band)= -0.116451 trlgG= -0.146070 logG= -0.028526 TDE= -0.170859 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023879 logG= -0.029173 Density= 0.107968 ETOT(band)= -0.116711 trlgG= -0.147116 logG= -0.029173 TDE= -0.171371 logGD-logG0= -0.009815 tlogG= -0.048265 logG= -0.058080 Density= 0.214521 ETOT(band)= -0.233951 trlgG= -0.294237 logG= -0.058080 TDE= -0.342314 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009505 tlogG= -0.045783 logG= -0.055287 Density= 0.215138 ETOT(band)= -0.232115 trlgG= -0.289852 logG= -0.055287 TDE= -0.341025 logGD-logG0= -0.009681 tlogG= -0.047180 logG= -0.056861 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213896 ETOT(band)= -0.233539 trlgG= -0.292656 logG= -0.056861 TDE= -0.341641 logGD-logG0= -0.009135 tlogG= -0.047653 logG= -0.056788 Density= 0.213063 ETOT(band)= -0.233831 trlgG= -0.292724 logG= -0.056788 TDE= -0.341370 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023215 logG= -0.027853 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002472 tlogG= -0.010847 logG= -0.013319 Density= 0.106804 ETOT(band)= -0.116519 trlgG= -0.145383 logG= -0.027853 TDE= -0.170382 Density= 0.054091 ETOT(band)= -0.057545 trlgG= -0.071506 logG= -0.013319 TDE= -0.084954 logGD-logG0= -0.009783 tlogG= -0.045612 logG= -0.055395 Density= 0.214490 ETOT(band)= -0.232460 trlgG= -0.290024 logG= -0.055395 TDE= -0.340769 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010536 tlogG= -0.047770 logG= -0.058306 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214873 ETOT(band)= -0.233879 trlgG= -0.294069 logG= -0.058306 TDE= -0.342093 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009960 tlogG= -0.047921 logG= -0.057881 logGD-logG0= -0.009455 tlogG= -0.047468 logG= -0.056923 Density= 0.214435 ETOT(band)= -0.233374 trlgG= -0.292791 logG= -0.056923 TDE= -0.341981 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214093 ETOT(band)= -0.233986 trlgG= -0.293921 logG= -0.057881 TDE= -0.341984 logGD-logG0= -0.001696 tlogG= -0.007308 logG= -0.009004 Density= 0.035864 ETOT(band)= -0.038544 trlgG= -0.047884 logG= -0.009004 TDE= -0.056627 logGD-logG0= -0.009561 tlogG= -0.047956 logG= -0.057517 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036213 ETOT(band)= -0.038098 trlgG= -0.047227 logG= -0.008626 TDE= -0.056520 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213405 ETOT(band)= -0.234043 trlgG= -0.293366 logG= -0.057517 TDE= -0.341452 logGD-logG0= -0.005282 tlogG= -0.024067 logG= -0.029350 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107999 ETOT(band)= -0.116817 trlgG= -0.147412 logG= -0.029350 TDE= -0.171506 logGD-logG0= -0.009836 tlogG= -0.047181 logG= -0.057017 Density= 0.213906 ETOT(band)= -0.233584 trlgG= -0.292449 logG= -0.057017 TDE= -0.341283 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002411 tlogG= -0.010433 logG= -0.012845 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048105 logG= -0.058596 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215184 ETOT(band)= -0.233935 trlgG= -0.294582 logG= -0.058596 TDE= -0.342470 Density= 0.054403 ETOT(band)= -0.057030 trlgG= -0.070663 logG= -0.012845 TDE= -0.084739 logGD-logG0= -0.005330 tlogG= -0.023589 logG= -0.028920 logGD-logG0= -0.010400 tlogG= -0.047810 logG= -0.058210 Density= 0.107854 ETOT(band)= -0.116614 trlgG= -0.146700 logG= -0.028920 TDE= -0.171152 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214774 ETOT(band)= -0.233872 trlgG= -0.293899 logG= -0.058210 TDE= -0.341969 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010338 tlogG= -0.048005 logG= -0.058343 Density= 0.215187 ETOT(band)= -0.233790 trlgG= -0.294166 logG= -0.058343 TDE= -0.342308 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009888 tlogG= -0.045673 logG= -0.055561 Density= 0.215268 ETOT(band)= -0.232193 trlgG= -0.289845 logG= -0.055561 TDE= -0.340810 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.048040 logG= -0.058611 Density= 0.215220 ETOT(band)= -0.233926 trlgG= -0.294609 logG= -0.058611 TDE= -0.342500 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.047336 logG= -0.057758 logGD-logG0= -0.010197 tlogG= -0.047685 logG= -0.057882 Density= 0.214074 ETOT(band)= -0.233973 trlgG= -0.293674 logG= -0.057882 TDE= -0.341727 Density= 0.214384 ETOT(band)= -0.233769 trlgG= -0.293151 logG= -0.057758 TDE= -0.341481 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010084 tlogG= -0.048051 logG= -0.058135 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214650 ETOT(band)= -0.233899 trlgG= -0.293989 logG= -0.058135 TDE= -0.342074 logGD-logG0= -0.010636 tlogG= -0.047548 logG= -0.058184 logGD-logG0= -0.010683 tlogG= -0.048172 logG= -0.058855 logGD-logG0= -0.010593 tlogG= -0.047449 logG= -0.058042 Density= 0.215808 ETOT(band)= -0.233387 trlgG= -0.293962 logG= -0.058184 TDE= -0.342570 Density= 0.215533 ETOT(band)= -0.233954 trlgG= -0.295049 logG= -0.058855 TDE= -0.342850 logGD-logG0= -0.010562 tlogG= -0.047960 logG= -0.058523 Density= 0.216001 ETOT(band)= -0.233505 trlgG= -0.294525 logG= -0.058523 TDE= -0.342891 Density= 0.215578 ETOT(band)= -0.233426 trlgG= -0.293719 logG= -0.058042 TDE= -0.342356 logGD-logG0= -0.010198 tlogG= -0.046438 logG= -0.056636 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215331 ETOT(band)= -0.232756 trlgG= -0.291475 logG= -0.056636 TDE= -0.341395 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010617 tlogG= -0.047909 logG= -0.058525 Density= 0.215874 ETOT(band)= -0.233576 trlgG= -0.294526 logG= -0.058525 TDE= -0.342826 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.047177 logG= -0.057287 Density= 0.215265 ETOT(band)= -0.233157 trlgG= -0.292491 logG= -0.057287 TDE= -0.341727 logGD-logG0= -0.009809 tlogG= -0.047247 logG= -0.057056 Density= 0.214599 ETOT(band)= -0.233337 trlgG= -0.292567 logG= -0.057056 TDE= -0.341706 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.046907 logG= -0.057542 Density= 0.215541 ETOT(band)= -0.233149 trlgG= -0.292919 logG= -0.057542 TDE= -0.342037 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.021003 logG= -0.025843 Density= 0.108760 ETOT(band)= -0.114206 trlgG= -0.141604 logG= -0.025843 TDE= -0.169581 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005006 tlogG= -0.021888 logG= -0.026894 Density= 0.108377 ETOT(band)= -0.115157 trlgG= -0.143436 logG= -0.026894 TDE= -0.170172 logGD-logG0= -0.005086 tlogG= -0.021829 logG= -0.026916 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107847 ETOT(band)= -0.115442 trlgG= -0.143493 logG= -0.026916 TDE= -0.169945 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005027 tlogG= -0.021706 logG= -0.026734 logGD-logG0= -0.001241 tlogG= -0.005623 logG= -0.006863 logGD-logG0= -0.001262 tlogG= -0.005751 logG= -0.007012 Density= 0.080881 ETOT(band)= -0.086900 trlgG= -0.108556 logG= -0.006863 TDE= -0.042649 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080680 ETOT(band)= -0.087327 trlgG= -0.109556 logG= -0.007012 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107989 ETOT(band)= -0.115250 trlgG= -0.143185 logG= -0.026734 TDE= -0.169889 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004920 tlogG= -0.021578 logG= -0.026498 Density= 0.108566 ETOT(band)= -0.114792 trlgG= -0.142758 logG= -0.026498 TDE= -0.169984 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043414 logG= -0.053463 Density= 0.216388 ETOT(band)= -0.230293 trlgG= -0.286349 logG= -0.053463 TDE= -0.339966 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004585 tlogG= -0.023984 logG= -0.028569 Density= 0.212946 ETOT(band)= -0.234065 trlgG= -0.293327 logG= -0.028569 TDE= -0.170744 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023967 logG= -0.029055 Density= 0.214461 ETOT(band)= -0.233903 trlgG= -0.293758 logG= -0.029055 TDE= -0.170975 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023425 logG= -0.028646 Density= 0.216303 ETOT(band)= -0.232481 trlgG= -0.292067 logG= -0.028646 TDE= -0.171099 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023896 logG= -0.028819 Density= 0.213915 ETOT(band)= -0.233812 trlgG= -0.292845 logG= -0.028819 TDE= -0.170703 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023381 logG= -0.028044 Density= 0.214310 ETOT(band)= -0.233178 trlgG= -0.292184 logG= -0.028044 TDE= -0.170820 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004808 tlogG= -0.022338 logG= -0.027146 Density= 0.215150 ETOT(band)= -0.231767 trlgG= -0.288945 logG= -0.027146 TDE= -0.170166 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009405 Density= 0.070914 ETOT(band)= -0.077880 trlgG= -0.097398 logG= -0.009405 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024141 logG= -0.028449 Density= 0.212317 ETOT(band)= -0.234161 trlgG= -0.293518 logG= -0.028449 TDE= -0.170889 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023596 logG= -0.028094 Density= 0.212761 ETOT(band)= -0.233785 trlgG= -0.292574 logG= -0.028094 TDE= -0.170607 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023901 logG= -0.028512 Density= 0.213416 ETOT(band)= -0.233660 trlgG= -0.292338 logG= -0.028512 TDE= -0.170696 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062577 ETOT(band)= -0.067488 trlgG= -0.084165 logG= -0.006365 TDE= -0.042339 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001587 tlogG= -0.006879 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042643 trlgG= -0.052776 logG= -0.008465 TDE= -0.056435 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007135 Density= 0.080691 ETOT(band)= -0.087542 trlgG= -0.110111 logG= -0.007135 TDE= -0.042790 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004978 tlogG= -0.022917 logG= -0.027894 Density= 0.214920 ETOT(band)= -0.232212 trlgG= -0.289543 logG= -0.027894 TDE= -0.170344 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005942 logG= -0.007223 Density= 0.080872 ETOT(band)= -0.087579 trlgG= -0.110309 logG= -0.007223 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007592 logG= -0.009168 Density= 0.071540 ETOT(band)= -0.077284 trlgG= -0.096106 logG= -0.009168 TDE= -0.056708 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024011 logG= -0.029249 Density= 0.215793 ETOT(band)= -0.233675 trlgG= -0.294679 logG= -0.029249 TDE= -0.171488 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 Density= 0.081099 ETOT(band)= -0.087484 trlgG= -0.110364 logG= -0.007266 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023809 logG= -0.029081 Density= 0.215445 ETOT(band)= -0.233579 trlgG= -0.294026 logG= -0.029081 TDE= -0.171335 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023496 logG= -0.028757 Density= 0.215329 ETOT(band)= -0.233143 trlgG= -0.292762 logG= -0.028757 TDE= -0.171078 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.023750 logG= -0.028192 Density= 0.213225 ETOT(band)= -0.233382 trlgG= -0.291604 logG= -0.028192 TDE= -0.170691 logGD-logG0= -0.004783 tlogG= -0.024016 logG= -0.028799 Density= 0.321747 ETOT(band)= -0.350819 trlgG= -0.441112 logG= -0.028799 TDE= -0.171137 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024009 logG= -0.029211 Density= 0.216456 ETOT(band)= -0.233163 trlgG= -0.294211 logG= -0.029211 TDE= -0.171505 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023378 logG= -0.028073 Density= 0.321821 ETOT(band)= -0.349772 trlgG= -0.438537 logG= -0.028073 TDE= -0.170812 logGD-logG0= -0.005331 tlogG= -0.024131 logG= -0.029462 Density= 0.215825 ETOT(band)= -0.233831 trlgG= -0.295093 logG= -0.029462 TDE= -0.171519 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022452 logG= -0.027582 logGD-logG0= -0.001209 tlogG= -0.005311 logG= -0.006519 Density= 0.081596 ETOT(band)= -0.085625 trlgG= -0.106166 logG= -0.006519 TDE= -0.042440 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216478 ETOT(band)= -0.231110 trlgG= -0.288470 logG= -0.027582 TDE= -0.170480 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024173 logG= -0.029227 Density= 0.322612 ETOT(band)= -0.350940 trlgG= -0.441792 logG= -0.029227 TDE= -0.171143 logGD-logG0= -0.005195 tlogG= -0.023966 logG= -0.029162 logGD-logG0= -0.005085 tlogG= -0.023857 logG= -0.028942 Density= 0.215605 ETOT(band)= -0.233576 trlgG= -0.294127 logG= -0.028942 TDE= -0.171022 logGD-logG0= -0.005193 tlogG= -0.022979 logG= -0.028172 Density= 0.216490 ETOT(band)= -0.233060 trlgG= -0.293979 logG= -0.029162 TDE= -0.171479 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.045657 logG= -0.055854 Density= 0.324209 ETOT(band)= -0.347679 trlgG= -0.434761 logG= -0.055854 TDE= -0.341281 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216332 ETOT(band)= -0.231907 trlgG= -0.290453 logG= -0.028172 TDE= -0.170813 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.047806 logG= -0.058239 logGD-logG0= -0.010479 tlogG= -0.047256 logG= -0.057734 Density= 0.324290 ETOT(band)= -0.349281 trlgG= -0.439464 logG= -0.057734 TDE= -0.342459 logGD-logG0= -0.001698 tlogG= -0.007121 logG= -0.008819 Density= 0.072266 ETOT(band)= -0.076422 trlgG= -0.094799 logG= -0.008819 TDE= -0.056595 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324504 ETOT(band)= -0.349649 trlgG= -0.440813 logG= -0.058239 TDE= -0.342851 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024097 logG= -0.029354 logGD-logG0= -0.005028 tlogG= -0.024167 logG= -0.029196 Density= 0.323227 ETOT(band)= -0.350917 trlgG= -0.442443 logG= -0.029354 TDE= -0.171332 logGD-logG0= -0.005215 tlogG= -0.023772 logG= -0.028987 Density= 0.216381 ETOT(band)= -0.232861 trlgG= -0.293274 logG= -0.028987 TDE= -0.171338 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214858 ETOT(band)= -0.233978 trlgG= -0.294377 logG= -0.029196 TDE= -0.171148 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024017 logG= -0.028767 logGD-logG0= -0.010712 tlogG= -0.048063 logG= -0.058775 Density= 0.214244 ETOT(band)= -0.233891 trlgG= -0.293976 logG= -0.028767 TDE= -0.171141 Density= 0.323410 ETOT(band)= -0.350711 trlgG= -0.442142 logG= -0.058775 TDE= -0.342840 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023907 logG= -0.029286 Density= 0.215753 ETOT(band)= -0.233578 trlgG= -0.294407 logG= -0.029286 TDE= -0.171343 logGD-logG0= -0.004845 tlogG= -0.023846 logG= -0.028691 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213703 ETOT(band)= -0.233948 trlgG= -0.293582 logG= -0.028691 TDE= -0.170959 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.046437 logG= -0.056911 logGD-logG0= -0.004961 tlogG= -0.022303 logG= -0.027263 Density= 0.214390 ETOT(band)= -0.232248 trlgG= -0.289291 logG= -0.027263 TDE= -0.170079 Density= 0.324158 ETOT(band)= -0.348623 trlgG= -0.437379 logG= -0.056911 TDE= -0.341903 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022484 logG= -0.027413 logGD-logG0= -0.004793 tlogG= -0.023254 logG= -0.028048 Density= 0.213632 ETOT(band)= -0.233415 trlgG= -0.292065 logG= -0.028048 TDE= -0.170656 Density= 0.215145 ETOT(band)= -0.231478 trlgG= -0.287901 logG= -0.027413 TDE= -0.170092 logGD-logG0= -0.005040 tlogG= -0.023257 logG= -0.028297 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321884 ETOT(band)= -0.350280 trlgG= -0.439387 logG= -0.028297 TDE= -0.170766 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009705 tlogG= -0.046628 logG= -0.056332 Density= 0.322882 ETOT(band)= -0.348736 trlgG= -0.436188 logG= -0.056332 TDE= -0.341436 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023208 logG= -0.028386 Density= 0.214987 ETOT(band)= -0.232767 trlgG= -0.291070 logG= -0.028386 TDE= -0.170528 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023369 logG= -0.028812 Density= 0.215222 ETOT(band)= -0.233169 trlgG= -0.292566 logG= -0.028812 TDE= -0.170872 logGD-logG0= -0.008973 tlogG= -0.048117 logG= -0.057090 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425812 ETOT(band)= -0.467928 trlgG= -0.586139 logG= -0.057090 TDE= -0.341604 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023966 logG= -0.029330 Density= 0.323820 ETOT(band)= -0.350388 trlgG= -0.441892 logG= -0.029330 TDE= -0.171391 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.048170 logG= -0.058333 Density= 0.429535 ETOT(band)= -0.467888 trlgG= -0.588313 logG= -0.058333 TDE= -0.342136 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.046628 logG= -0.056153 Density= 0.428352 ETOT(band)= -0.466462 trlgG= -0.584144 logG= -0.056153 TDE= -0.341459 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009466 tlogG= -0.046735 logG= -0.056202 logGD-logG0= -0.009661 tlogG= -0.047860 logG= -0.057520 Density= 0.428153 ETOT(band)= -0.465738 trlgG= -0.581535 logG= -0.056202 TDE= -0.341041 Density= 0.428286 ETOT(band)= -0.467765 trlgG= -0.587536 logG= -0.057520 TDE= -0.342088 logGD-logG0= -0.010271 tlogG= -0.047691 logG= -0.057963 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428537 ETOT(band)= -0.467752 trlgG= -0.586869 logG= -0.057963 TDE= -0.341729 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010332 tlogG= -0.047979 logG= -0.058310 Density= 0.429439 ETOT(band)= -0.467849 trlgG= -0.587952 logG= -0.058310 TDE= -0.341971 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.048245 logG= -0.058540 Density= 0.430264 ETOT(band)= -0.467898 trlgG= -0.589079 logG= -0.058540 TDE= -0.342343 logGD-logG0= -0.010673 tlogG= -0.047755 logG= -0.058428 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430971 ETOT(band)= -0.467158 trlgG= -0.588047 logG= -0.058428 TDE= -0.342487 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009663 tlogG= -0.047676 logG= -0.057338 logGD-logG0= -0.004921 tlogG= -0.021315 logG= -0.026236 Density= 0.162726 ETOT(band)= -0.172858 trlgG= -0.215821 logG= -0.026236 TDE= -0.169796 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.426936 ETOT(band)= -0.467966 trlgG= -0.586656 logG= -0.057338 TDE= -0.341618 logGD-logG0= -0.010505 tlogG= -0.048095 logG= -0.058601 Density= 0.430369 ETOT(band)= -0.467729 trlgG= -0.588752 logG= -0.058601 TDE= -0.342469 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009617 tlogG= -0.047794 logG= -0.057411 logGD-logG0= -0.010784 tlogG= -0.047711 logG= -0.058495 logGD-logG0= -0.010335 tlogG= -0.046954 logG= -0.057289 Density= 0.430114 ETOT(band)= -0.466102 trlgG= -0.583918 logG= -0.057289 TDE= -0.341439 Density= 0.427436 ETOT(band)= -0.467521 trlgG= -0.585515 logG= -0.057411 TDE= -0.341320 Density= 0.431309 ETOT(band)= -0.467105 trlgG= -0.588410 logG= -0.058495 TDE= -0.342594 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.046422 logG= -0.056375 Density= 0.429774 ETOT(band)= -0.465182 trlgG= -0.581228 logG= -0.056375 TDE= -0.341155 logGD-logG0= -0.010709 tlogG= -0.048036 logG= -0.058745 Density= 0.431547 ETOT(band)= -0.467388 trlgG= -0.589403 logG= -0.058745 TDE= -0.342858 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047875 logG= -0.057712 Density= 0.429373 ETOT(band)= -0.467550 trlgG= -0.587522 logG= -0.057712 TDE= -0.342077 logGD-logG0= -0.004848 tlogG= -0.022339 logG= -0.027187 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323051 ETOT(band)= -0.347705 trlgG= -0.433799 logG= -0.027187 TDE= -0.170161 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010017 tlogG= -0.047580 logG= -0.057597 logGD-logG0= -0.010259 tlogG= -0.047594 logG= -0.057853 Density= 0.430240 ETOT(band)= -0.466749 trlgG= -0.585847 logG= -0.057853 TDE= -0.341883 Density= 0.428853 ETOT(band)= -0.467098 trlgG= -0.585915 logG= -0.057597 TDE= -0.341775 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.023693 logG= -0.029120 Density= 0.215518 ETOT(band)= -0.233429 trlgG= -0.293708 logG= -0.029120 TDE= -0.171165 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081241 ETOT(band)= -0.086290 trlgG= -0.107321 logG= -0.006699 TDE= -0.042551 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021364 logG= -0.026368 Density= 0.217125 ETOT(band)= -0.229009 trlgG= -0.284157 logG= -0.026368 TDE= -0.169809 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010733 tlogG= -0.047294 logG= -0.058026 Density= 0.430705 ETOT(band)= -0.466733 trlgG= -0.586575 logG= -0.058026 TDE= -0.342103 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009992 tlogG= -0.044647 logG= -0.054639 Density= 0.324453 ETOT(band)= -0.346411 trlgG= -0.431755 logG= -0.054639 TDE= -0.340605 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.021219 logG= -0.026182 Density= 0.216457 ETOT(band)= -0.229864 trlgG= -0.285407 logG= -0.026182 TDE= -0.169716 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005093 tlogG= -0.021892 logG= -0.026985 Density= 0.216735 ETOT(band)= -0.230113 trlgG= -0.286357 logG= -0.026985 TDE= -0.170140 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009842 tlogG= -0.044648 logG= -0.054489 Density= 0.431838 ETOT(band)= -0.461724 trlgG= -0.574464 logG= -0.054489 TDE= -0.340241 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.559511323009 eV TrLogG= -407.145056196658 eV Ratio to renormalize= 0.999484280508 rho-rho_expected= 0.011351683099 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964484782628863 0.940052831191596 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011888 logG= -0.014221 Density= 0.053592 ETOT(band)= -0.058351 trlgG= -0.073223 logG= -0.014221 TDE= -0.085522 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011453 logG= -0.013794 Density= 0.053767 ETOT(band)= -0.058022 trlgG= -0.072460 logG= -0.013794 TDE= -0.085273 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023656 logG= -0.028666 logGD-logG0= -0.005302 tlogG= -0.023694 logG= -0.028996 Density= 0.107291 ETOT(band)= -0.116904 trlgG= -0.146760 logG= -0.028996 TDE= -0.170857 Density= 0.107041 ETOT(band)= -0.116830 trlgG= -0.146208 logG= -0.028666 TDE= -0.170512 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004692 tlogG= -0.023679 logG= -0.028372 logGD-logG0= -0.004915 tlogG= -0.023906 logG= -0.028820 Density= 0.106821 ETOT(band)= -0.117010 trlgG= -0.146821 logG= -0.028820 TDE= -0.170861 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106665 ETOT(band)= -0.116854 trlgG= -0.146292 logG= -0.028372 TDE= -0.170704 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022745 logG= -0.027794 Density= 0.108300 ETOT(band)= -0.115783 trlgG= -0.144926 logG= -0.027794 TDE= -0.170724 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022862 logG= -0.027619 Density= 0.107359 ETOT(band)= -0.116138 trlgG= -0.144972 logG= -0.027619 TDE= -0.170479 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004730 trlgG= -0.005850 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035515 ETOT(band)= -0.038890 trlgG= -0.048578 logG= -0.009305 TDE= -0.056847 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009456 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048940 logG= -0.009456 TDE= -0.056971 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012037 logG= -0.014648 Density= 0.053791 ETOT(band)= -0.058485 trlgG= -0.073643 logG= -0.014648 TDE= -0.085613 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004362 tlogG= -0.023983 logG= -0.028345 Density= 0.106241 ETOT(band)= -0.117012 trlgG= -0.146584 logG= -0.028345 TDE= -0.170812 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.022419 logG= -0.027448 Density= 0.107693 ETOT(band)= -0.115868 trlgG= -0.144364 logG= -0.027448 TDE= -0.170208 logGD-logG0= -0.002428 tlogG= -0.012087 logG= -0.014515 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053614 ETOT(band)= -0.058495 trlgG= -0.073585 logG= -0.014515 TDE= -0.085602 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024060 logG= -0.028395 Density= 0.106189 ETOT(band)= -0.117055 trlgG= -0.146696 logG= -0.028395 TDE= -0.170850 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011989 logG= -0.014557 Density= 0.054162 ETOT(band)= -0.058251 trlgG= -0.073510 logG= -0.014557 TDE= -0.085755 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023440 logG= -0.028604 Density= 0.108182 ETOT(band)= -0.116288 trlgG= -0.146210 logG= -0.028604 TDE= -0.171139 logGD-logG0= -0.005169 tlogG= -0.023773 logG= -0.028942 Density= 0.108228 ETOT(band)= -0.116451 trlgG= -0.146746 logG= -0.028942 TDE= -0.171360 logGD-logG0= -0.005294 tlogG= -0.024083 logG= -0.029376 logGD-logG0= -0.005157 tlogG= -0.023959 logG= -0.029116 Density= 0.108278 ETOT(band)= -0.116526 trlgG= -0.147024 logG= -0.029116 TDE= -0.171490 logGD-logG0= -0.004724 tlogG= -0.022999 logG= -0.027724 Density= 0.107697 ETOT(band)= -0.116973 trlgG= -0.147432 logG= -0.029376 TDE= -0.171349 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106938 ETOT(band)= -0.116388 trlgG= -0.145119 logG= -0.027724 TDE= -0.170314 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022182 logG= -0.027152 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 logGD-logG0= -0.005053 tlogG= -0.022469 logG= -0.027522 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036213 ETOT(band)= -0.038098 trlgG= -0.047226 logG= -0.008626 TDE= -0.056520 Density= 0.108411 ETOT(band)= -0.115341 trlgG= -0.143883 logG= -0.027152 TDE= -0.170378 logGD-logG0= -0.004748 tlogG= -0.023511 logG= -0.028259 Density= 0.106839 ETOT(band)= -0.116709 trlgG= -0.145868 logG= -0.028259 TDE= -0.170478 Density= 0.108256 ETOT(band)= -0.115646 trlgG= -0.144489 logG= -0.027522 TDE= -0.170538 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005121 tlogG= -0.022993 logG= -0.028115 Density= 0.108187 ETOT(band)= -0.116018 trlgG= -0.145436 logG= -0.028115 TDE= -0.170857 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004557 tlogG= -0.024056 logG= -0.028613 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106457 ETOT(band)= -0.117046 trlgG= -0.146709 logG= -0.028613 TDE= -0.170776 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014629 Density= 0.054009 ETOT(band)= -0.058370 trlgG= -0.073629 logG= -0.014629 TDE= -0.085726 logGD-logG0= -0.005340 tlogG= -0.024141 logG= -0.029481 Density= 0.107864 ETOT(band)= -0.116970 trlgG= -0.147622 logG= -0.029481 TDE= -0.171518 logGD-logG0= -0.005009 tlogG= -0.024103 logG= -0.029112 logGD-logG0= -0.005326 tlogG= -0.023914 logG= -0.029240 Density= 0.107805 ETOT(band)= -0.116840 trlgG= -0.147218 logG= -0.029240 TDE= -0.171325 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107437 ETOT(band)= -0.116935 trlgG= -0.147056 logG= -0.029112 TDE= -0.171110 logGD-logG0= -0.005307 tlogG= -0.024095 logG= -0.029402 logGD-logG0= -0.005146 tlogG= -0.023615 logG= -0.028761 Density= 0.108254 ETOT(band)= -0.116335 trlgG= -0.146455 logG= -0.028761 TDE= -0.171263 Density= 0.107940 ETOT(band)= -0.116883 trlgG= -0.147498 logG= -0.029402 TDE= -0.171510 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023226 logG= -0.028341 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108245 ETOT(band)= -0.116112 trlgG= -0.145792 logG= -0.028341 TDE= -0.171016 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022887 logG= -0.028013 Density= 0.107674 ETOT(band)= -0.116201 trlgG= -0.145259 logG= -0.028013 TDE= -0.170528 logGD-logG0= -0.004880 tlogG= -0.022861 logG= -0.027741 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.023977 logG= -0.029222 Density= 0.107501 ETOT(band)= -0.116957 trlgG= -0.147157 logG= -0.029222 TDE= -0.171132 Density= 0.107805 ETOT(band)= -0.115998 trlgG= -0.144850 logG= -0.027741 TDE= -0.170456 logGD-logG0= -0.004846 tlogG= -0.023699 logG= -0.028544 Density= 0.107437 ETOT(band)= -0.116625 trlgG= -0.146315 logG= -0.028544 TDE= -0.170936 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002411 tlogG= -0.010433 logG= -0.012844 Density= 0.054403 ETOT(band)= -0.057030 trlgG= -0.070662 logG= -0.012844 TDE= -0.084739 logGD-logG0= -0.004724 tlogG= -0.023696 logG= -0.028420 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107039 ETOT(band)= -0.116740 trlgG= -0.146401 logG= -0.028420 TDE= -0.170949 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.024078 logG= -0.028975 Density= 0.107117 ETOT(band)= -0.116994 trlgG= -0.147078 logG= -0.028975 TDE= -0.171111 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023209 logG= -0.028525 Density= 0.107739 ETOT(band)= -0.116450 trlgG= -0.146068 logG= -0.028525 TDE= -0.170858 logGD-logG0= -0.004637 tlogG= -0.023215 logG= -0.027852 logGD-logG0= -0.005144 tlogG= -0.023881 logG= -0.029025 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108299 ETOT(band)= -0.116462 trlgG= -0.146876 logG= -0.029025 TDE= -0.171443 Density= 0.106804 ETOT(band)= -0.116518 trlgG= -0.145382 logG= -0.027852 TDE= -0.170381 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023879 logG= -0.029172 Density= 0.107968 ETOT(band)= -0.116710 trlgG= -0.147114 logG= -0.029172 TDE= -0.171370 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023588 logG= -0.028919 Density= 0.107854 ETOT(band)= -0.116613 trlgG= -0.146698 logG= -0.028919 TDE= -0.171151 logGD-logG0= -0.009815 tlogG= -0.048263 logG= -0.058078 Density= 0.214521 ETOT(band)= -0.233949 trlgG= -0.294235 logG= -0.058078 TDE= -0.342312 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.047178 logG= -0.056860 logGD-logG0= -0.009505 tlogG= -0.045781 logG= -0.055286 Density= 0.215138 ETOT(band)= -0.232114 trlgG= -0.289849 logG= -0.055286 TDE= -0.341024 Density= 0.213896 ETOT(band)= -0.233538 trlgG= -0.292653 logG= -0.056860 TDE= -0.341640 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009135 tlogG= -0.047652 logG= -0.056787 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213063 ETOT(band)= -0.233829 trlgG= -0.292721 logG= -0.056787 TDE= -0.341369 logGD-logG0= -0.009960 tlogG= -0.047919 logG= -0.057880 Density= 0.214093 ETOT(band)= -0.233984 trlgG= -0.293919 logG= -0.057880 TDE= -0.341983 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007308 logG= -0.009004 Density= 0.035864 ETOT(band)= -0.038544 trlgG= -0.047883 logG= -0.009004 TDE= -0.056627 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009783 tlogG= -0.045610 logG= -0.055394 logGD-logG0= -0.009454 tlogG= -0.047467 logG= -0.056922 logGD-logG0= -0.009561 tlogG= -0.047955 logG= -0.057516 Density= 0.213405 ETOT(band)= -0.234042 trlgG= -0.293363 logG= -0.057516 TDE= -0.341451 Density= 0.214435 ETOT(band)= -0.233373 trlgG= -0.292788 logG= -0.056922 TDE= -0.341980 Density= 0.214490 ETOT(band)= -0.232459 trlgG= -0.290021 logG= -0.055394 TDE= -0.340767 logGD-logG0= -0.005282 tlogG= -0.024067 logG= -0.029349 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107999 ETOT(band)= -0.116816 trlgG= -0.147410 logG= -0.029349 TDE= -0.171505 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047179 logG= -0.057015 Density= 0.213906 ETOT(band)= -0.233582 trlgG= -0.292446 logG= -0.057015 TDE= -0.341282 logGD-logG0= -0.010491 tlogG= -0.048104 logG= -0.058595 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215184 ETOT(band)= -0.233933 trlgG= -0.294579 logG= -0.058595 TDE= -0.342468 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010084 tlogG= -0.048050 logG= -0.058133 Density= 0.214650 ETOT(band)= -0.233898 trlgG= -0.293986 logG= -0.058133 TDE= -0.342072 logGD-logG0= -0.010400 tlogG= -0.047809 logG= -0.058209 logGD-logG0= -0.005086 tlogG= -0.021829 logG= -0.026915 Density= 0.107847 ETOT(band)= -0.115441 trlgG= -0.143491 logG= -0.026915 TDE= -0.169944 Density= 0.214773 ETOT(band)= -0.233870 trlgG= -0.293896 logG= -0.058209 TDE= -0.341968 logGD-logG0= -0.010571 tlogG= -0.048039 logG= -0.058610 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010338 tlogG= -0.048003 logG= -0.058342 Density= 0.215187 ETOT(band)= -0.233788 trlgG= -0.294163 logG= -0.058342 TDE= -0.342306 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047546 logG= -0.058182 logGD-logG0= -0.010197 tlogG= -0.047683 logG= -0.057880 Density= 0.214074 ETOT(band)= -0.233971 trlgG= -0.293671 logG= -0.057880 TDE= -0.341726 Density= 0.215808 ETOT(band)= -0.233386 trlgG= -0.293959 logG= -0.058182 TDE= -0.342569 logGD-logG0= -0.009887 tlogG= -0.045672 logG= -0.055559 Density= 0.215268 ETOT(band)= -0.232191 trlgG= -0.289842 logG= -0.055559 TDE= -0.340809 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215220 ETOT(band)= -0.233924 trlgG= -0.294606 logG= -0.058610 TDE= -0.342498 logGD-logG0= -0.010536 tlogG= -0.047769 logG= -0.058305 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214873 ETOT(band)= -0.233877 trlgG= -0.294066 logG= -0.058305 TDE= -0.342091 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010593 tlogG= -0.047448 logG= -0.058041 logGD-logG0= -0.010562 tlogG= -0.047959 logG= -0.058521 Density= 0.215578 ETOT(band)= -0.233424 trlgG= -0.293716 logG= -0.058041 TDE= -0.342354 logGD-logG0= -0.010198 tlogG= -0.046437 logG= -0.056635 Density= 0.215331 ETOT(band)= -0.232755 trlgG= -0.291472 logG= -0.056635 TDE= -0.341394 logGD-logG0= -0.010422 tlogG= -0.047335 logG= -0.057757 Density= 0.214384 ETOT(band)= -0.233767 trlgG= -0.293148 logG= -0.057757 TDE= -0.341479 logGD-logG0= -0.010683 tlogG= -0.048171 logG= -0.058854 Density= 0.216002 ETOT(band)= -0.233503 trlgG= -0.294522 logG= -0.058521 TDE= -0.342890 logGD-logG0= -0.010616 tlogG= -0.047907 logG= -0.058524 Density= 0.215533 ETOT(band)= -0.233952 trlgG= -0.295046 logG= -0.058854 TDE= -0.342848 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215874 ETOT(band)= -0.233574 trlgG= -0.294523 logG= -0.058524 TDE= -0.342824 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047245 logG= -0.057054 logGD-logG0= -0.002472 tlogG= -0.010846 logG= -0.013318 Density= 0.214599 ETOT(band)= -0.233336 trlgG= -0.292565 logG= -0.057054 TDE= -0.341704 logGD-logG0= -0.010110 tlogG= -0.047176 logG= -0.057286 Density= 0.215265 ETOT(band)= -0.233155 trlgG= -0.292487 logG= -0.057286 TDE= -0.341726 Density= 0.054091 ETOT(band)= -0.057544 trlgG= -0.071505 logG= -0.013318 TDE= -0.084954 logGD-logG0= -0.005027 tlogG= -0.021705 logG= -0.026733 Density= 0.107989 ETOT(band)= -0.115249 trlgG= -0.143183 logG= -0.026733 TDE= -0.169888 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.021577 logG= -0.026497 Density= 0.108566 ETOT(band)= -0.114791 trlgG= -0.142757 logG= -0.026497 TDE= -0.169983 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010635 tlogG= -0.046906 logG= -0.057541 Density= 0.215541 ETOT(band)= -0.233147 trlgG= -0.292916 logG= -0.057541 TDE= -0.342036 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.021887 logG= -0.026893 Density= 0.108377 ETOT(band)= -0.115156 trlgG= -0.143435 logG= -0.026893 TDE= -0.170171 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004840 tlogG= -0.021002 logG= -0.025842 Density= 0.108760 ETOT(band)= -0.114205 trlgG= -0.141603 logG= -0.025842 TDE= -0.169580 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043413 logG= -0.053461 Density= 0.216388 ETOT(band)= -0.230291 trlgG= -0.286346 logG= -0.053461 TDE= -0.339964 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001262 tlogG= -0.005751 logG= -0.007012 Density= 0.080680 ETOT(band)= -0.087326 trlgG= -0.109555 logG= -0.007012 TDE= -0.042724 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086899 trlgG= -0.108554 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023966 logG= -0.029054 Density= 0.214461 ETOT(band)= -0.233901 trlgG= -0.293755 logG= -0.029054 TDE= -0.170974 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023895 logG= -0.028818 Density= 0.213915 ETOT(band)= -0.233811 trlgG= -0.292842 logG= -0.028818 TDE= -0.170703 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023845 logG= -0.028690 Density= 0.213702 ETOT(band)= -0.233947 trlgG= -0.293579 logG= -0.028690 TDE= -0.170958 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023254 logG= -0.028047 Density= 0.213632 ETOT(band)= -0.233413 trlgG= -0.292062 logG= -0.028047 TDE= -0.170655 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.022978 logG= -0.028171 Density= 0.216332 ETOT(band)= -0.231906 trlgG= -0.290449 logG= -0.028171 TDE= -0.170812 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004808 tlogG= -0.022337 logG= -0.027145 Density= 0.215150 ETOT(band)= -0.231765 trlgG= -0.288942 logG= -0.027145 TDE= -0.170166 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070914 ETOT(band)= -0.077880 trlgG= -0.097397 logG= -0.009404 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023596 logG= -0.028094 Density= 0.212761 ETOT(band)= -0.233784 trlgG= -0.292572 logG= -0.028094 TDE= -0.170606 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062577 ETOT(band)= -0.067488 trlgG= -0.084164 logG= -0.006365 TDE= -0.042338 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001587 tlogG= -0.006879 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042642 trlgG= -0.052776 logG= -0.008465 TDE= -0.056434 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.022916 logG= -0.027894 Density= 0.214920 ETOT(band)= -0.232211 trlgG= -0.289540 logG= -0.027894 TDE= -0.170343 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007222 Density= 0.080872 ETOT(band)= -0.087578 trlgG= -0.110307 logG= -0.007222 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007134 Density= 0.080691 ETOT(band)= -0.087542 trlgG= -0.110110 logG= -0.007134 TDE= -0.042790 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024140 logG= -0.028448 Density= 0.212317 ETOT(band)= -0.234160 trlgG= -0.293516 logG= -0.028448 TDE= -0.170888 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001698 tlogG= -0.007121 logG= -0.008819 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 Density= 0.081099 ETOT(band)= -0.087483 trlgG= -0.110363 logG= -0.007266 TDE= -0.042874 Density= 0.072266 ETOT(band)= -0.076422 trlgG= -0.094798 logG= -0.008819 TDE= -0.056594 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.022483 logG= -0.027412 Density= 0.215145 ETOT(band)= -0.231476 trlgG= -0.287898 logG= -0.027412 TDE= -0.170092 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024010 logG= -0.029248 Density= 0.215793 ETOT(band)= -0.233674 trlgG= -0.294676 logG= -0.029248 TDE= -0.171487 logGD-logG0= -0.004611 tlogG= -0.023900 logG= -0.028511 Density= 0.213416 ETOT(band)= -0.233658 trlgG= -0.292335 logG= -0.028511 TDE= -0.170696 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023808 logG= -0.029080 Density= 0.215445 ETOT(band)= -0.233577 trlgG= -0.294023 logG= -0.029080 TDE= -0.171334 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023771 logG= -0.028986 Density= 0.216381 ETOT(band)= -0.232860 trlgG= -0.293271 logG= -0.028986 TDE= -0.171337 logGD-logG0= -0.005261 tlogG= -0.023496 logG= -0.028757 Density= 0.215329 ETOT(band)= -0.233141 trlgG= -0.292759 logG= -0.028757 TDE= -0.171078 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024008 logG= -0.029211 Density= 0.216456 ETOT(band)= -0.233162 trlgG= -0.294207 logG= -0.029211 TDE= -0.171505 logGD-logG0= -0.005028 tlogG= -0.024167 logG= -0.029195 Density= 0.214858 ETOT(band)= -0.233976 trlgG= -0.294374 logG= -0.029195 TDE= -0.171147 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009168 Density= 0.071540 ETOT(band)= -0.077283 trlgG= -0.096105 logG= -0.009168 TDE= -0.056708 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023906 logG= -0.029285 Density= 0.215753 ETOT(band)= -0.233576 trlgG= -0.294404 logG= -0.029285 TDE= -0.171342 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024016 logG= -0.028798 Density= 0.321747 ETOT(band)= -0.350817 trlgG= -0.441108 logG= -0.028798 TDE= -0.171136 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024130 logG= -0.029461 Density= 0.215825 ETOT(band)= -0.233829 trlgG= -0.295090 logG= -0.029461 TDE= -0.171518 logGD-logG0= -0.004695 tlogG= -0.023378 logG= -0.028072 logGD-logG0= -0.005427 tlogG= -0.023692 logG= -0.029119 logGD-logG0= -0.005130 tlogG= -0.022451 logG= -0.027581 Density= 0.215518 ETOT(band)= -0.233427 trlgG= -0.293704 logG= -0.029119 TDE= -0.171164 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321821 ETOT(band)= -0.349769 trlgG= -0.438532 logG= -0.028072 TDE= -0.170812 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023856 logG= -0.028941 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215605 ETOT(band)= -0.233574 trlgG= -0.294124 logG= -0.028941 TDE= -0.171021 Density= 0.216478 ETOT(band)= -0.231109 trlgG= -0.288467 logG= -0.027581 TDE= -0.170479 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.047804 logG= -0.058238 logGD-logG0= -0.008973 tlogG= -0.048116 logG= -0.057089 Density= 0.324504 ETOT(band)= -0.349647 trlgG= -0.440808 logG= -0.058238 TDE= -0.342849 Density= 0.425812 ETOT(band)= -0.467925 trlgG= -0.586133 logG= -0.057089 TDE= -0.341602 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006519 logGD-logG0= -0.005054 tlogG= -0.024172 logG= -0.029226 Density= 0.081596 ETOT(band)= -0.085624 trlgG= -0.106164 logG= -0.006519 TDE= -0.042440 Density= 0.322612 ETOT(band)= -0.350938 trlgG= -0.441787 logG= -0.029226 TDE= -0.171143 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004585 tlogG= -0.023983 logG= -0.028568 Density= 0.212946 ETOT(band)= -0.234064 trlgG= -0.293325 logG= -0.028568 TDE= -0.170744 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010479 tlogG= -0.047254 logG= -0.057733 logGD-logG0= -0.010712 tlogG= -0.048061 logG= -0.058773 logGD-logG0= -0.005221 tlogG= -0.023425 logG= -0.028646 Density= 0.323410 ETOT(band)= -0.350708 trlgG= -0.442138 logG= -0.058773 TDE= -0.342839 Density= 0.324290 ETOT(band)= -0.349278 trlgG= -0.439459 logG= -0.057733 TDE= -0.342458 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216303 ETOT(band)= -0.232480 trlgG= -0.292064 logG= -0.028646 TDE= -0.171099 logGD-logG0= -0.009466 tlogG= -0.046734 logG= -0.056200 Density= 0.428153 ETOT(band)= -0.465735 trlgG= -0.581530 logG= -0.056200 TDE= -0.341040 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023966 logG= -0.029161 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.045655 logG= -0.055852 Density= 0.216490 ETOT(band)= -0.233058 trlgG= -0.293976 logG= -0.029161 TDE= -0.171478 Density= 0.324209 ETOT(band)= -0.347677 trlgG= -0.434757 logG= -0.055852 TDE= -0.341279 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.021314 logG= -0.026236 Density= 0.162726 ETOT(band)= -0.172856 trlgG= -0.215819 logG= -0.026236 TDE= -0.169796 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024096 logG= -0.029354 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323227 ETOT(band)= -0.350914 trlgG= -0.442438 logG= -0.029354 TDE= -0.171331 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009662 tlogG= -0.047675 logG= -0.057337 Density= 0.426936 ETOT(band)= -0.467963 trlgG= -0.586651 logG= -0.057337 TDE= -0.341616 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023257 logG= -0.028296 Density= 0.321884 ETOT(band)= -0.350277 trlgG= -0.439383 logG= -0.028296 TDE= -0.170765 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009617 tlogG= -0.047793 logG= -0.057410 Density= 0.427436 ETOT(band)= -0.467518 trlgG= -0.585510 logG= -0.057410 TDE= -0.341319 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.046626 logG= -0.056331 logGD-logG0= -0.004750 tlogG= -0.024016 logG= -0.028766 Density= 0.214244 ETOT(band)= -0.233889 trlgG= -0.293973 logG= -0.028766 TDE= -0.171141 Density= 0.322882 ETOT(band)= -0.348733 trlgG= -0.436184 logG= -0.056331 TDE= -0.341434 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.046421 logG= -0.056373 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429774 ETOT(band)= -0.465179 trlgG= -0.581222 logG= -0.056373 TDE= -0.341154 logGD-logG0= -0.010475 tlogG= -0.046435 logG= -0.056910 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023207 logG= -0.028385 Density= 0.324158 ETOT(band)= -0.348621 trlgG= -0.437374 logG= -0.056910 TDE= -0.341902 logGD-logG0= -0.004663 tlogG= -0.023380 logG= -0.028043 Density= 0.214310 ETOT(band)= -0.233177 trlgG= -0.292181 logG= -0.028043 TDE= -0.170819 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023965 logG= -0.029330 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323821 ETOT(band)= -0.350385 trlgG= -0.441888 logG= -0.029330 TDE= -0.171390 Density= 0.214987 ETOT(band)= -0.232766 trlgG= -0.291067 logG= -0.028385 TDE= -0.170527 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.021219 logG= -0.026181 Density= 0.216457 ETOT(band)= -0.229863 trlgG= -0.285404 logG= -0.026181 TDE= -0.169715 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009660 tlogG= -0.047858 logG= -0.057519 Density= 0.428286 ETOT(band)= -0.467762 trlgG= -0.587531 logG= -0.057519 TDE= -0.342087 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023368 logG= -0.028811 Density= 0.215222 ETOT(band)= -0.233167 trlgG= -0.292563 logG= -0.028811 TDE= -0.170871 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.046627 logG= -0.056151 Density= 0.428351 ETOT(band)= -0.466459 trlgG= -0.584138 logG= -0.056151 TDE= -0.341457 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010332 tlogG= -0.047977 logG= -0.058309 logGD-logG0= -0.010784 tlogG= -0.047709 logG= -0.058494 Density= 0.429439 ETOT(band)= -0.467846 trlgG= -0.587946 logG= -0.058309 TDE= -0.341969 logGD-logG0= -0.010296 tlogG= -0.048243 logG= -0.058539 Density= 0.431309 ETOT(band)= -0.467101 trlgG= -0.588404 logG= -0.058494 TDE= -0.342592 Density= 0.430264 ETOT(band)= -0.467895 trlgG= -0.589073 logG= -0.058539 TDE= -0.342342 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022302 logG= -0.027263 Density= 0.214390 ETOT(band)= -0.232247 trlgG= -0.289288 logG= -0.027263 TDE= -0.170078 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047874 logG= -0.057710 Density= 0.429373 ETOT(band)= -0.467547 trlgG= -0.587517 logG= -0.057710 TDE= -0.342076 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.047690 logG= -0.057961 logGD-logG0= -0.009992 tlogG= -0.044646 logG= -0.054637 logGD-logG0= -0.010673 tlogG= -0.047754 logG= -0.058427 Density= 0.428537 ETOT(band)= -0.467749 trlgG= -0.586863 logG= -0.057961 TDE= -0.341728 Density= 0.324453 ETOT(band)= -0.346408 trlgG= -0.431750 logG= -0.054637 TDE= -0.340603 logGD-logG0= -0.010163 tlogG= -0.048169 logG= -0.058332 Density= 0.430971 ETOT(band)= -0.467155 trlgG= -0.588040 logG= -0.058427 TDE= -0.342485 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429535 ETOT(band)= -0.467885 trlgG= -0.588307 logG= -0.058332 TDE= -0.342135 logGD-logG0= -0.010505 tlogG= -0.048094 logG= -0.058599 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430369 ETOT(band)= -0.467726 trlgG= -0.588746 logG= -0.058599 TDE= -0.342467 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.046953 logG= -0.057288 logGD-logG0= -0.010709 tlogG= -0.048034 logG= -0.058743 Density= 0.430114 ETOT(band)= -0.466098 trlgG= -0.583912 logG= -0.057288 TDE= -0.341437 Density= 0.431547 ETOT(band)= -0.467385 trlgG= -0.589397 logG= -0.058743 TDE= -0.342857 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047579 logG= -0.057595 Density= 0.428853 ETOT(band)= -0.467095 trlgG= -0.585910 logG= -0.057595 TDE= -0.341773 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047593 logG= -0.057852 Density= 0.430239 ETOT(band)= -0.466746 trlgG= -0.585841 logG= -0.057852 TDE= -0.341882 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022338 logG= -0.027186 Density= 0.323051 ETOT(band)= -0.347703 trlgG= -0.433795 logG= -0.027186 TDE= -0.170160 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010733 tlogG= -0.047292 logG= -0.058025 Density= 0.430705 ETOT(band)= -0.466730 trlgG= -0.586568 logG= -0.058025 TDE= -0.342101 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 logGD-logG0= -0.005093 tlogG= -0.021892 logG= -0.026984 Density= 0.216735 ETOT(band)= -0.230112 trlgG= -0.286353 logG= -0.026984 TDE= -0.170140 Density= 0.081241 ETOT(band)= -0.086289 trlgG= -0.107320 logG= -0.006699 TDE= -0.042551 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004442 tlogG= -0.023749 logG= -0.028191 Density= 0.213225 ETOT(band)= -0.233381 trlgG= -0.291601 logG= -0.028191 TDE= -0.170691 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.021363 logG= -0.026367 Density= 0.217125 ETOT(band)= -0.229007 trlgG= -0.284154 logG= -0.026367 TDE= -0.169808 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044646 logG= -0.054488 Density= 0.431838 ETOT(band)= -0.461721 trlgG= -0.574458 logG= -0.054488 TDE= -0.340240 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.557280712818 eV TrLogG= -407.140829792188 eV Ratio to renormalize= 0.999484520517 rho-rho_expected= 0.011346397458 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964477899714096 0.940045147937557 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002610 tlogG= -0.012037 logG= -0.014647 Density= 0.053791 ETOT(band)= -0.058485 trlgG= -0.073641 logG= -0.014647 TDE= -0.085613 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011988 logG= -0.014557 Density= 0.054162 ETOT(band)= -0.058250 trlgG= -0.073509 logG= -0.014557 TDE= -0.085754 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012086 logG= -0.014514 Density= 0.053614 ETOT(band)= -0.058494 trlgG= -0.073584 logG= -0.014514 TDE= -0.085601 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023614 logG= -0.028760 Density= 0.108253 ETOT(band)= -0.116334 trlgG= -0.146452 logG= -0.028760 TDE= -0.171262 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023587 logG= -0.028918 Density= 0.107854 ETOT(band)= -0.116611 trlgG= -0.146696 logG= -0.028918 TDE= -0.171150 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.047953 logG= -0.057514 logGD-logG0= -0.009783 tlogG= -0.045608 logG= -0.055392 Density= 0.214489 ETOT(band)= -0.232456 trlgG= -0.290016 logG= -0.055392 TDE= -0.340765 Density= 0.213404 ETOT(band)= -0.234039 trlgG= -0.293359 logG= -0.057514 TDE= -0.341448 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.045670 logG= -0.055557 Density= 0.215268 ETOT(band)= -0.232188 trlgG= -0.289838 logG= -0.055557 TDE= -0.340806 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004729 trlgG= -0.005849 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035515 ETOT(band)= -0.038889 trlgG= -0.048577 logG= -0.009305 TDE= -0.056847 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011452 logG= -0.013793 logGD-logG0= -0.002333 tlogG= -0.011888 logG= -0.014221 Density= 0.053767 ETOT(band)= -0.058021 trlgG= -0.072459 logG= -0.013793 TDE= -0.085272 Density= 0.053592 ETOT(band)= -0.058350 trlgG= -0.073222 logG= -0.014221 TDE= -0.085521 logGD-logG0= -0.005169 tlogG= -0.023772 logG= -0.028941 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108228 ETOT(band)= -0.116449 trlgG= -0.146743 logG= -0.028941 TDE= -0.171358 logGD-logG0= -0.005053 tlogG= -0.022468 logG= -0.027521 Density= 0.108256 ETOT(band)= -0.115644 trlgG= -0.144487 logG= -0.027521 TDE= -0.170536 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009456 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048940 logG= -0.009456 TDE= -0.056970 logGD-logG0= -0.005157 tlogG= -0.023958 logG= -0.029115 logGD-logG0= -0.005164 tlogG= -0.023439 logG= -0.028603 Density= 0.108182 ETOT(band)= -0.116287 trlgG= -0.146207 logG= -0.028603 TDE= -0.171138 Density= 0.108278 ETOT(band)= -0.116524 trlgG= -0.147022 logG= -0.029115 TDE= -0.171488 logGD-logG0= -0.005294 tlogG= -0.024082 logG= -0.029375 Density= 0.107697 ETOT(band)= -0.116971 trlgG= -0.147429 logG= -0.029375 TDE= -0.171348 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004334 tlogG= -0.024059 logG= -0.028394 Density= 0.106189 ETOT(band)= -0.117054 trlgG= -0.146694 logG= -0.028394 TDE= -0.170848 logGD-logG0= -0.005122 tlogG= -0.022992 logG= -0.028114 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108187 ETOT(band)= -0.116017 trlgG= -0.145433 logG= -0.028114 TDE= -0.170856 logGD-logG0= -0.004971 tlogG= -0.022181 logG= -0.027151 Density= 0.108411 ETOT(band)= -0.115339 trlgG= -0.143881 logG= -0.027151 TDE= -0.170377 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023698 logG= -0.028543 Density= 0.107437 ETOT(band)= -0.116624 trlgG= -0.146312 logG= -0.028543 TDE= -0.170934 logGD-logG0= -0.004361 tlogG= -0.023982 logG= -0.028344 logGD-logG0= -0.004637 tlogG= -0.023214 logG= -0.027851 Density= 0.106803 ETOT(band)= -0.116517 trlgG= -0.145380 logG= -0.027851 TDE= -0.170380 Density= 0.106241 ETOT(band)= -0.117011 trlgG= -0.146581 logG= -0.028344 TDE= -0.170811 logGD-logG0= -0.004557 tlogG= -0.024055 logG= -0.028612 logGD-logG0= -0.002637 tlogG= -0.011991 logG= -0.014629 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106457 ETOT(band)= -0.117045 trlgG= -0.146707 logG= -0.028612 TDE= -0.170775 Density= 0.054009 ETOT(band)= -0.058370 trlgG= -0.073628 logG= -0.014629 TDE= -0.085725 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.024094 logG= -0.029401 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107940 ETOT(band)= -0.116881 trlgG= -0.147496 logG= -0.029401 TDE= -0.171508 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023880 logG= -0.029024 Density= 0.108298 ETOT(band)= -0.116460 trlgG= -0.146873 logG= -0.029024 TDE= -0.171441 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023913 logG= -0.029239 Density= 0.107805 ETOT(band)= -0.116839 trlgG= -0.147216 logG= -0.029239 TDE= -0.171324 logGD-logG0= -0.005010 tlogG= -0.023655 logG= -0.028665 logGD-logG0= -0.005302 tlogG= -0.023693 logG= -0.028995 Density= 0.107290 ETOT(band)= -0.116902 trlgG= -0.146758 logG= -0.028995 TDE= -0.170855 logGD-logG0= -0.005009 tlogG= -0.024102 logG= -0.029111 Density= 0.107040 ETOT(band)= -0.116828 trlgG= -0.146206 logG= -0.028665 TDE= -0.170510 logGD-logG0= -0.005340 tlogG= -0.024140 logG= -0.029480 Density= 0.107437 ETOT(band)= -0.116934 trlgG= -0.147054 logG= -0.029111 TDE= -0.171108 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023225 logG= -0.028340 Density= 0.108245 ETOT(band)= -0.116111 trlgG= -0.145789 logG= -0.028340 TDE= -0.171014 Density= 0.107864 ETOT(band)= -0.116968 trlgG= -0.147620 logG= -0.029480 TDE= -0.171516 logGD-logG0= -0.005049 tlogG= -0.022744 logG= -0.027793 logGD-logG0= -0.004692 tlogG= -0.023679 logG= -0.028371 Density= 0.106665 ETOT(band)= -0.116853 trlgG= -0.146290 logG= -0.028371 TDE= -0.170702 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.023976 logG= -0.029221 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108300 ETOT(band)= -0.115781 trlgG= -0.144923 logG= -0.027793 TDE= -0.170723 logGD-logG0= -0.004724 tlogG= -0.022998 logG= -0.027723 Density= 0.106938 ETOT(band)= -0.116387 trlgG= -0.145117 logG= -0.027723 TDE= -0.170313 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107501 ETOT(band)= -0.116956 trlgG= -0.147155 logG= -0.029221 TDE= -0.171130 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.022418 logG= -0.027447 logGD-logG0= -0.004915 tlogG= -0.023905 logG= -0.028819 Density= 0.107693 ETOT(band)= -0.115867 trlgG= -0.144361 logG= -0.027447 TDE= -0.170206 Density= 0.106821 ETOT(band)= -0.117009 trlgG= -0.146819 logG= -0.028819 TDE= -0.170860 logGD-logG0= -0.004748 tlogG= -0.023510 logG= -0.028258 Density= 0.106839 ETOT(band)= -0.116708 trlgG= -0.145865 logG= -0.028258 TDE= -0.170477 logGD-logG0= -0.004880 tlogG= -0.022860 logG= -0.027740 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107804 ETOT(band)= -0.115996 trlgG= -0.144847 logG= -0.027740 TDE= -0.170454 logGD-logG0= -0.004896 tlogG= -0.024077 logG= -0.028974 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107117 ETOT(band)= -0.116993 trlgG= -0.147076 logG= -0.028974 TDE= -0.171109 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023695 logG= -0.028419 Density= 0.107039 ETOT(band)= -0.116739 trlgG= -0.146399 logG= -0.028419 TDE= -0.170948 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023208 logG= -0.028524 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107739 ETOT(band)= -0.116449 trlgG= -0.146066 logG= -0.028524 TDE= -0.170856 logGD-logG0= -0.005126 tlogG= -0.022886 logG= -0.028012 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023878 logG= -0.029171 Density= 0.107674 ETOT(band)= -0.116200 trlgG= -0.145256 logG= -0.028012 TDE= -0.170526 Density= 0.107968 ETOT(band)= -0.116708 trlgG= -0.147112 logG= -0.029171 TDE= -0.171369 logGD-logG0= -0.004757 tlogG= -0.022861 logG= -0.027618 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107359 ETOT(band)= -0.116137 trlgG= -0.144969 logG= -0.027618 TDE= -0.170478 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009815 tlogG= -0.048261 logG= -0.058076 Density= 0.214521 ETOT(band)= -0.233947 trlgG= -0.294230 logG= -0.058076 TDE= -0.342309 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.024066 logG= -0.029348 Density= 0.107999 ETOT(band)= -0.116814 trlgG= -0.147408 logG= -0.029348 TDE= -0.171503 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009135 tlogG= -0.047650 logG= -0.056785 Density= 0.213063 ETOT(band)= -0.233827 trlgG= -0.292717 logG= -0.056785 TDE= -0.341366 logGD-logG0= -0.009505 tlogG= -0.045779 logG= -0.055284 Density= 0.215138 ETOT(band)= -0.232111 trlgG= -0.289844 logG= -0.055284 TDE= -0.341021 logGD-logG0= -0.009960 tlogG= -0.047917 logG= -0.057878 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.047176 logG= -0.056858 Density= 0.214093 ETOT(band)= -0.233982 trlgG= -0.293914 logG= -0.057878 TDE= -0.341980 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213895 ETOT(band)= -0.233535 trlgG= -0.292648 logG= -0.056858 TDE= -0.341637 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.047465 logG= -0.056920 logGD-logG0= -0.009836 tlogG= -0.047178 logG= -0.057013 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214434 ETOT(band)= -0.233370 trlgG= -0.292784 logG= -0.056920 TDE= -0.341977 Density= 0.213906 ETOT(band)= -0.233580 trlgG= -0.292441 logG= -0.057013 TDE= -0.341279 logGD-logG0= -0.010536 tlogG= -0.047767 logG= -0.058303 Density= 0.214873 ETOT(band)= -0.233874 trlgG= -0.294061 logG= -0.058303 TDE= -0.342088 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048102 logG= -0.058593 Density= 0.215183 ETOT(band)= -0.233930 trlgG= -0.294574 logG= -0.058593 TDE= -0.342465 logGD-logG0= -0.010338 tlogG= -0.048001 logG= -0.058340 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215186 ETOT(band)= -0.233785 trlgG= -0.294158 logG= -0.058340 TDE= -0.342303 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 Density= 0.036213 ETOT(band)= -0.038097 trlgG= -0.047225 logG= -0.008626 TDE= -0.056520 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010197 tlogG= -0.047681 logG= -0.057878 logGD-logG0= -0.001696 tlogG= -0.007307 logG= -0.009003 Density= 0.035864 ETOT(band)= -0.038543 trlgG= -0.047882 logG= -0.009003 TDE= -0.056626 logGD-logG0= -0.010571 tlogG= -0.048037 logG= -0.058608 Density= 0.215220 ETOT(band)= -0.233922 trlgG= -0.294601 logG= -0.058608 TDE= -0.342495 Density= 0.214074 ETOT(band)= -0.233969 trlgG= -0.293667 logG= -0.057878 TDE= -0.341723 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.047807 logG= -0.058207 Density= 0.214773 ETOT(band)= -0.233867 trlgG= -0.293891 logG= -0.058207 TDE= -0.341965 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047957 logG= -0.058519 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007222 Density= 0.216001 ETOT(band)= -0.233500 trlgG= -0.294517 logG= -0.058519 TDE= -0.342886 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080872 ETOT(band)= -0.087577 trlgG= -0.110306 logG= -0.007222 TDE= -0.042843 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002472 tlogG= -0.010846 logG= -0.013318 logGD-logG0= -0.010083 tlogG= -0.048048 logG= -0.058131 Density= 0.054091 ETOT(band)= -0.057544 trlgG= -0.071504 logG= -0.013318 TDE= -0.084953 Density= 0.214650 ETOT(band)= -0.233895 trlgG= -0.293981 logG= -0.058131 TDE= -0.342070 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047544 logG= -0.058180 Density= 0.215807 ETOT(band)= -0.233383 trlgG= -0.293954 logG= -0.058180 TDE= -0.342566 logGD-logG0= -0.010422 tlogG= -0.047333 logG= -0.057755 Density= 0.214383 ETOT(band)= -0.233764 trlgG= -0.293143 logG= -0.057755 TDE= -0.341476 logGD-logG0= -0.010593 tlogG= -0.047446 logG= -0.058039 Density= 0.215577 ETOT(band)= -0.233421 trlgG= -0.293711 logG= -0.058039 TDE= -0.342351 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010683 tlogG= -0.048169 logG= -0.058852 Density= 0.215533 ETOT(band)= -0.233949 trlgG= -0.295041 logG= -0.058852 TDE= -0.342845 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010617 tlogG= -0.047905 logG= -0.058522 Density= 0.215874 ETOT(band)= -0.233572 trlgG= -0.294518 logG= -0.058522 TDE= -0.342821 logGD-logG0= -0.010198 tlogG= -0.046435 logG= -0.056633 Density= 0.215331 ETOT(band)= -0.232752 trlgG= -0.291467 logG= -0.056633 TDE= -0.341390 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047243 logG= -0.057052 Density= 0.214598 ETOT(band)= -0.233333 trlgG= -0.292560 logG= -0.057052 TDE= -0.341701 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.047174 logG= -0.057284 Density= 0.215265 ETOT(band)= -0.233153 trlgG= -0.292483 logG= -0.057284 TDE= -0.341723 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.046904 logG= -0.057539 Density= 0.215541 ETOT(band)= -0.233144 trlgG= -0.292911 logG= -0.057539 TDE= -0.342033 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007134 Density= 0.080691 ETOT(band)= -0.087541 trlgG= -0.110109 logG= -0.007134 TDE= -0.042789 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.021886 logG= -0.026892 Density= 0.108376 ETOT(band)= -0.115154 trlgG= -0.143432 logG= -0.026892 TDE= -0.170170 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004920 tlogG= -0.021576 logG= -0.026496 Density= 0.108565 ETOT(band)= -0.114789 trlgG= -0.142754 logG= -0.026496 TDE= -0.169982 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004840 tlogG= -0.021001 logG= -0.025841 Density= 0.108760 ETOT(band)= -0.114204 trlgG= -0.141600 logG= -0.025841 TDE= -0.169578 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005215 tlogG= -0.023770 logG= -0.028985 Density= 0.216381 ETOT(band)= -0.232857 trlgG= -0.293266 logG= -0.028985 TDE= -0.171335 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.023691 logG= -0.029118 Density= 0.215518 ETOT(band)= -0.233424 trlgG= -0.293700 logG= -0.029118 TDE= -0.171163 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.021828 logG= -0.026914 Density= 0.107847 ETOT(band)= -0.115439 trlgG= -0.143489 logG= -0.026914 TDE= -0.169943 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009466 tlogG= -0.046732 logG= -0.056198 Density= 0.428152 ETOT(band)= -0.465730 trlgG= -0.581521 logG= -0.056198 TDE= -0.341037 logGD-logG0= -0.004922 tlogG= -0.021313 logG= -0.026234 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162726 ETOT(band)= -0.172854 trlgG= -0.215815 logG= -0.026234 TDE= -0.169794 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009662 tlogG= -0.047673 logG= -0.057335 Density= 0.426935 ETOT(band)= -0.467958 trlgG= -0.586641 logG= -0.057335 TDE= -0.341613 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002412 tlogG= -0.010432 logG= -0.012844 Density= 0.054403 ETOT(band)= -0.057029 trlgG= -0.070661 logG= -0.012844 TDE= -0.084738 logGD-logG0= -0.005027 tlogG= -0.021705 logG= -0.026732 Density= 0.107989 ETOT(band)= -0.115248 trlgG= -0.143181 logG= -0.026732 TDE= -0.169887 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043411 logG= -0.053459 Density= 0.216388 ETOT(band)= -0.230288 trlgG= -0.286341 logG= -0.053459 TDE= -0.339961 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009952 tlogG= -0.046419 logG= -0.056371 Density= 0.429773 ETOT(band)= -0.465174 trlgG= -0.581213 logG= -0.056371 TDE= -0.341151 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001262 tlogG= -0.005750 logG= -0.007012 Density= 0.080680 ETOT(band)= -0.087325 trlgG= -0.109554 logG= -0.007012 TDE= -0.042724 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024009 logG= -0.029247 Density= 0.215793 ETOT(band)= -0.233671 trlgG= -0.294671 logG= -0.029247 TDE= -0.171485 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086898 trlgG= -0.108553 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007265 Density= 0.081099 ETOT(band)= -0.087482 trlgG= -0.110361 logG= -0.007265 TDE= -0.042873 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070914 ETOT(band)= -0.077879 trlgG= -0.097396 logG= -0.009404 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023807 logG= -0.029079 Density= 0.215445 ETOT(band)= -0.233574 trlgG= -0.294018 logG= -0.029079 TDE= -0.171333 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024007 logG= -0.029210 logGD-logG0= -0.005261 tlogG= -0.023495 logG= -0.028756 Density= 0.215328 ETOT(band)= -0.233138 trlgG= -0.292754 logG= -0.028756 TDE= -0.171076 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216456 ETOT(band)= -0.233159 trlgG= -0.294202 logG= -0.029210 TDE= -0.171503 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024015 logG= -0.028797 Density= 0.321747 ETOT(band)= -0.350813 trlgG= -0.441101 logG= -0.028797 TDE= -0.171135 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024139 logG= -0.028447 Density= 0.212317 ETOT(band)= -0.234157 trlgG= -0.293511 logG= -0.028447 TDE= -0.170887 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024129 logG= -0.029460 Density= 0.215825 ETOT(band)= -0.233827 trlgG= -0.295085 logG= -0.029460 TDE= -0.171516 logGD-logG0= -0.005130 tlogG= -0.022450 logG= -0.027580 Density= 0.216477 ETOT(band)= -0.231106 trlgG= -0.288462 logG= -0.027580 TDE= -0.170477 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.023748 logG= -0.028190 logGD-logG0= -0.010434 tlogG= -0.047802 logG= -0.058236 Density= 0.324504 ETOT(band)= -0.349642 trlgG= -0.440801 logG= -0.058236 TDE= -0.342846 Density= 0.213225 ETOT(band)= -0.233378 trlgG= -0.291597 logG= -0.028190 TDE= -0.170689 logGD-logG0= -0.005088 tlogG= -0.023965 logG= -0.029053 Density= 0.214460 ETOT(band)= -0.233898 trlgG= -0.293750 logG= -0.029053 TDE= -0.170972 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024171 logG= -0.029225 logGD-logG0= -0.005195 tlogG= -0.023964 logG= -0.029160 logGD-logG0= -0.004695 tlogG= -0.023377 logG= -0.028071 Density= 0.216490 ETOT(band)= -0.233055 trlgG= -0.293971 logG= -0.029160 TDE= -0.171476 Density= 0.322611 ETOT(band)= -0.350933 trlgG= -0.441780 logG= -0.029225 TDE= -0.171141 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321820 ETOT(band)= -0.349765 trlgG= -0.438525 logG= -0.028071 TDE= -0.170810 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.022977 logG= -0.028170 Density= 0.216331 ETOT(band)= -0.231903 trlgG= -0.290444 logG= -0.028170 TDE= -0.170811 logGD-logG0= -0.004585 tlogG= -0.023982 logG= -0.028567 Density= 0.212946 ETOT(band)= -0.234061 trlgG= -0.293320 logG= -0.028567 TDE= -0.170743 logGD-logG0= -0.010479 tlogG= -0.047252 logG= -0.057731 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324289 ETOT(band)= -0.349274 trlgG= -0.439452 logG= -0.057731 TDE= -0.342455 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023424 logG= -0.028645 logGD-logG0= -0.005085 tlogG= -0.023855 logG= -0.028940 Density= 0.215605 ETOT(band)= -0.233571 trlgG= -0.294119 logG= -0.028940 TDE= -0.171020 Density= 0.216302 ETOT(band)= -0.232477 trlgG= -0.292059 logG= -0.028645 TDE= -0.171097 logGD-logG0= -0.010197 tlogG= -0.045653 logG= -0.055850 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024166 logG= -0.029194 Density= 0.214857 ETOT(band)= -0.233974 trlgG= -0.294369 logG= -0.029194 TDE= -0.171146 logGD-logG0= -0.004498 tlogG= -0.023595 logG= -0.028093 Density= 0.212761 ETOT(band)= -0.233781 trlgG= -0.292568 logG= -0.028093 TDE= -0.170605 logGD-logG0= -0.004611 tlogG= -0.023900 logG= -0.028510 Density= 0.213415 ETOT(band)= -0.233656 trlgG= -0.292331 logG= -0.028510 TDE= -0.170694 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023894 logG= -0.028817 Density= 0.213915 ETOT(band)= -0.233808 trlgG= -0.292838 logG= -0.028817 TDE= -0.170701 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324208 ETOT(band)= -0.347673 trlgG= -0.434749 logG= -0.055850 TDE= -0.341276 logGD-logG0= -0.010712 tlogG= -0.048059 logG= -0.058771 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323410 ETOT(band)= -0.350704 trlgG= -0.442130 logG= -0.058771 TDE= -0.342835 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023253 logG= -0.028046 Density= 0.213632 ETOT(band)= -0.233410 trlgG= -0.292057 logG= -0.028046 TDE= -0.170653 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023905 logG= -0.029284 Density= 0.215753 ETOT(band)= -0.233574 trlgG= -0.294399 logG= -0.029284 TDE= -0.171340 logGD-logG0= -0.004750 tlogG= -0.024015 logG= -0.028765 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214244 ETOT(band)= -0.233887 trlgG= -0.293968 logG= -0.028765 TDE= -0.171139 logGD-logG0= -0.010475 tlogG= -0.046433 logG= -0.056908 logGD-logG0= -0.005364 tlogG= -0.023964 logG= -0.029329 Density= 0.323820 ETOT(band)= -0.350381 trlgG= -0.441880 logG= -0.029329 TDE= -0.171389 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324157 ETOT(band)= -0.348617 trlgG= -0.437366 logG= -0.056908 TDE= -0.341899 logGD-logG0= -0.005040 tlogG= -0.023256 logG= -0.028295 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321883 ETOT(band)= -0.350273 trlgG= -0.439375 logG= -0.028295 TDE= -0.170763 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042642 trlgG= -0.052775 logG= -0.008465 TDE= -0.056434 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023844 logG= -0.028689 Density= 0.213702 ETOT(band)= -0.233944 trlgG= -0.293574 logG= -0.028689 TDE= -0.170957 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024095 logG= -0.029353 logGD-logG0= -0.009704 tlogG= -0.046624 logG= -0.056329 Density= 0.323226 ETOT(band)= -0.350910 trlgG= -0.442431 logG= -0.029353 TDE= -0.171330 Density= 0.322881 ETOT(band)= -0.348729 trlgG= -0.436177 logG= -0.056329 TDE= -0.341431 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.022915 logG= -0.027893 Density= 0.214919 ETOT(band)= -0.232208 trlgG= -0.289535 logG= -0.027893 TDE= -0.170342 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023367 logG= -0.028810 Density= 0.215221 ETOT(band)= -0.233164 trlgG= -0.292558 logG= -0.028810 TDE= -0.170869 logGD-logG0= -0.009660 tlogG= -0.047856 logG= -0.057517 Density= 0.428286 ETOT(band)= -0.467756 trlgG= -0.587521 logG= -0.057517 TDE= -0.342084 logGD-logG0= -0.008973 tlogG= -0.048114 logG= -0.057087 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425811 ETOT(band)= -0.467920 trlgG= -0.586125 logG= -0.057087 TDE= -0.341600 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009167 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071540 ETOT(band)= -0.077283 trlgG= -0.096103 logG= -0.009167 TDE= -0.056707 logGD-logG0= -0.004663 tlogG= -0.023379 logG= -0.028042 Density= 0.214309 ETOT(band)= -0.233174 trlgG= -0.292176 logG= -0.028042 TDE= -0.170818 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.048167 logG= -0.058330 Density= 0.429534 ETOT(band)= -0.467880 trlgG= -0.588297 logG= -0.058330 TDE= -0.342132 logGD-logG0= -0.010505 tlogG= -0.048092 logG= -0.058597 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430369 ETOT(band)= -0.467720 trlgG= -0.588736 logG= -0.058597 TDE= -0.342464 logGD-logG0= -0.009524 tlogG= -0.046625 logG= -0.056149 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428351 ETOT(band)= -0.466453 trlgG= -0.584129 logG= -0.056149 TDE= -0.341454 logGD-logG0= -0.010271 tlogG= -0.047688 logG= -0.057959 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.048241 logG= -0.058537 Density= 0.428536 ETOT(band)= -0.467743 trlgG= -0.586854 logG= -0.057959 TDE= -0.341725 Density= 0.430263 ETOT(band)= -0.467889 trlgG= -0.589063 logG= -0.058537 TDE= -0.342339 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047752 logG= -0.058425 logGD-logG0= -0.009616 tlogG= -0.047792 logG= -0.057408 logGD-logG0= -0.010331 tlogG= -0.047975 logG= -0.058307 Density= 0.429439 ETOT(band)= -0.467841 trlgG= -0.587936 logG= -0.058307 TDE= -0.341966 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430971 ETOT(band)= -0.467150 trlgG= -0.588030 logG= -0.058425 TDE= -0.342482 Density= 0.427435 ETOT(band)= -0.467512 trlgG= -0.585500 logG= -0.057408 TDE= -0.341316 logGD-logG0= -0.010784 tlogG= -0.047707 logG= -0.058492 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431308 ETOT(band)= -0.467096 trlgG= -0.588394 logG= -0.058492 TDE= -0.342589 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047872 logG= -0.057708 logGD-logG0= -0.010016 tlogG= -0.047577 logG= -0.057593 Density= 0.428852 ETOT(band)= -0.467090 trlgG= -0.585900 logG= -0.057593 TDE= -0.341770 Density= 0.429373 ETOT(band)= -0.467542 trlgG= -0.587507 logG= -0.057708 TDE= -0.342073 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.048032 logG= -0.058741 Density= 0.431546 ETOT(band)= -0.467379 trlgG= -0.589387 logG= -0.058741 TDE= -0.342854 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047591 logG= -0.057850 logGD-logG0= -0.010335 tlogG= -0.046951 logG= -0.057286 Density= 0.430239 ETOT(band)= -0.466740 trlgG= -0.585831 logG= -0.057850 TDE= -0.341879 Density= 0.430113 ETOT(band)= -0.466093 trlgG= -0.583902 logG= -0.057286 TDE= -0.341434 logGD-logG0= -0.005177 tlogG= -0.023206 logG= -0.028384 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214987 ETOT(band)= -0.232763 trlgG= -0.291062 logG= -0.028384 TDE= -0.170526 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 logGD-logG0= -0.010733 tlogG= -0.047290 logG= -0.058023 Density= 0.081241 ETOT(band)= -0.086288 trlgG= -0.107318 logG= -0.006699 TDE= -0.042551 Density= 0.430705 ETOT(band)= -0.466724 trlgG= -0.586559 logG= -0.058023 TDE= -0.342098 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004848 tlogG= -0.022337 logG= -0.027185 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323050 ETOT(band)= -0.347698 trlgG= -0.433788 logG= -0.027185 TDE= -0.170159 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009991 tlogG= -0.044644 logG= -0.054635 Density= 0.324452 ETOT(band)= -0.346404 trlgG= -0.431743 logG= -0.054635 TDE= -0.340600 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005174 logG= -0.006365 Density= 0.062577 ETOT(band)= -0.067487 trlgG= -0.084163 logG= -0.006365 TDE= -0.042338 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001698 tlogG= -0.007120 logG= -0.008818 Density= 0.072266 ETOT(band)= -0.076421 trlgG= -0.094797 logG= -0.008818 TDE= -0.056594 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.022301 logG= -0.027262 Density= 0.214389 ETOT(band)= -0.232244 trlgG= -0.289284 logG= -0.027262 TDE= -0.170077 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.022482 logG= -0.027411 logGD-logG0= -0.004808 tlogG= -0.022336 logG= -0.027144 Density= 0.215145 ETOT(band)= -0.231474 trlgG= -0.287893 logG= -0.027411 TDE= -0.170090 Density= 0.215150 ETOT(band)= -0.231762 trlgG= -0.288937 logG= -0.027144 TDE= -0.170164 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005093 tlogG= -0.021890 logG= -0.026983 Density= 0.216734 ETOT(band)= -0.230109 trlgG= -0.286348 logG= -0.026983 TDE= -0.170138 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021362 logG= -0.026366 Density= 0.217125 ETOT(band)= -0.229004 trlgG= -0.284149 logG= -0.026366 TDE= -0.169807 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006519 Density= 0.081596 ETOT(band)= -0.085623 trlgG= -0.106163 logG= -0.006519 TDE= -0.042439 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044644 logG= -0.054486 Density= 0.431837 ETOT(band)= -0.461715 trlgG= -0.574448 logG= -0.054486 TDE= -0.340237 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.021217 logG= -0.026180 Density= 0.216456 ETOT(band)= -0.229860 trlgG= -0.285399 logG= -0.026180 TDE= -0.169714 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.553461931426 eV TrLogG= -407.133903532414 eV Ratio to renormalize= 0.999486165114 rho-rho_expected= 0.011310179064 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964460864962128 0.940028687043063 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011888 logG= -0.014221 Density= 0.053592 ETOT(band)= -0.058351 trlgG= -0.073222 logG= -0.014221 TDE= -0.085522 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022181 logG= -0.027151 Density= 0.108411 ETOT(band)= -0.115340 trlgG= -0.143882 logG= -0.027151 TDE= -0.170378 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023655 logG= -0.028665 Density= 0.107041 ETOT(band)= -0.116829 trlgG= -0.146207 logG= -0.028665 TDE= -0.170511 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022744 logG= -0.027793 Density= 0.108300 ETOT(band)= -0.115782 trlgG= -0.144924 logG= -0.027793 TDE= -0.170724 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023905 logG= -0.028819 logGD-logG0= -0.005126 tlogG= -0.022886 logG= -0.028012 Density= 0.107674 ETOT(band)= -0.116201 trlgG= -0.145257 logG= -0.028012 TDE= -0.170528 Density= 0.106821 ETOT(band)= -0.117010 trlgG= -0.146820 logG= -0.028819 TDE= -0.170861 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023208 logG= -0.028524 Density= 0.107739 ETOT(band)= -0.116450 trlgG= -0.146067 logG= -0.028524 TDE= -0.170857 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022861 logG= -0.027618 Density= 0.107359 ETOT(band)= -0.116138 trlgG= -0.144970 logG= -0.027618 TDE= -0.170479 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012037 logG= -0.014647 Density= 0.053791 ETOT(band)= -0.058485 trlgG= -0.073642 logG= -0.014647 TDE= -0.085613 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009456 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048940 logG= -0.009456 TDE= -0.056971 logGD-logG0= -0.002568 tlogG= -0.011988 logG= -0.014557 Density= 0.054162 ETOT(band)= -0.058250 trlgG= -0.073509 logG= -0.014557 TDE= -0.085755 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014629 Density= 0.054009 ETOT(band)= -0.058370 trlgG= -0.073628 logG= -0.014629 TDE= -0.085726 logGD-logG0= -0.004361 tlogG= -0.023983 logG= -0.028344 Density= 0.106241 ETOT(band)= -0.117012 trlgG= -0.146583 logG= -0.028344 TDE= -0.170812 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035515 ETOT(band)= -0.038890 trlgG= -0.048577 logG= -0.009305 TDE= -0.056847 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023614 logG= -0.028760 Density= 0.108254 ETOT(band)= -0.116335 trlgG= -0.146453 logG= -0.028760 TDE= -0.171263 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023878 logG= -0.029171 Density= 0.107968 ETOT(band)= -0.116709 trlgG= -0.147113 logG= -0.029171 TDE= -0.171370 logGD-logG0= -0.004334 tlogG= -0.024060 logG= -0.028394 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106189 ETOT(band)= -0.117055 trlgG= -0.146695 logG= -0.028394 TDE= -0.170849 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.047953 logG= -0.057514 Density= 0.213405 ETOT(band)= -0.234041 trlgG= -0.293361 logG= -0.057514 TDE= -0.341450 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007308 logG= -0.009003 Density= 0.035864 ETOT(band)= -0.038544 trlgG= -0.047883 logG= -0.009003 TDE= -0.056627 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004729 trlgG= -0.005850 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002411 tlogG= -0.010432 logG= -0.012844 Density= 0.054403 ETOT(band)= -0.057029 trlgG= -0.070661 logG= -0.012844 TDE= -0.084739 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005006 tlogG= -0.021886 logG= -0.026892 Density= 0.108377 ETOT(band)= -0.115155 trlgG= -0.143433 logG= -0.026892 TDE= -0.170171 logGD-logG0= -0.002341 tlogG= -0.011453 logG= -0.013793 Density= 0.053767 ETOT(band)= -0.058021 trlgG= -0.072460 logG= -0.013793 TDE= -0.085273 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002428 tlogG= -0.012086 logG= -0.014514 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053614 ETOT(band)= -0.058495 trlgG= -0.073585 logG= -0.014514 TDE= -0.085601 logGD-logG0= -0.004920 tlogG= -0.021576 logG= -0.026496 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.021001 logG= -0.025841 Density= 0.108760 ETOT(band)= -0.114204 trlgG= -0.141601 logG= -0.025841 TDE= -0.169579 Density= 0.108566 ETOT(band)= -0.114790 trlgG= -0.142755 logG= -0.026496 TDE= -0.169983 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005169 tlogG= -0.023772 logG= -0.028941 Density= 0.108228 ETOT(band)= -0.116450 trlgG= -0.146744 logG= -0.028941 TDE= -0.171359 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023439 logG= -0.028603 Density= 0.108182 ETOT(band)= -0.116288 trlgG= -0.146208 logG= -0.028603 TDE= -0.171139 logGD-logG0= -0.005053 tlogG= -0.022468 logG= -0.027521 Density= 0.108256 ETOT(band)= -0.115645 trlgG= -0.144488 logG= -0.027521 TDE= -0.170537 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.022992 logG= -0.028114 Density= 0.108187 ETOT(band)= -0.116017 trlgG= -0.145434 logG= -0.028114 TDE= -0.170857 logGD-logG0= -0.004557 tlogG= -0.024055 logG= -0.028612 logGD-logG0= -0.004637 tlogG= -0.023214 logG= -0.027851 Density= 0.106457 ETOT(band)= -0.117046 trlgG= -0.146708 logG= -0.028612 TDE= -0.170776 logGD-logG0= -0.005294 tlogG= -0.024082 logG= -0.029375 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107698 ETOT(band)= -0.116972 trlgG= -0.147430 logG= -0.029375 TDE= -0.171349 Density= 0.106804 ETOT(band)= -0.116517 trlgG= -0.145381 logG= -0.027851 TDE= -0.170381 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.024094 logG= -0.029401 Density= 0.107940 ETOT(band)= -0.116882 trlgG= -0.147496 logG= -0.029401 TDE= -0.171509 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.022860 logG= -0.027740 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024102 logG= -0.029111 Density= 0.107805 ETOT(band)= -0.115997 trlgG= -0.144848 logG= -0.027740 TDE= -0.170456 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107437 ETOT(band)= -0.116935 trlgG= -0.147055 logG= -0.029111 TDE= -0.171109 logGD-logG0= -0.010049 tlogG= -0.043411 logG= -0.053460 Density= 0.216389 ETOT(band)= -0.230290 trlgG= -0.286342 logG= -0.053460 TDE= -0.339963 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023880 logG= -0.029024 logGD-logG0= -0.005114 tlogG= -0.023225 logG= -0.028340 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108299 ETOT(band)= -0.116461 trlgG= -0.146874 logG= -0.029024 TDE= -0.171442 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108245 ETOT(band)= -0.116111 trlgG= -0.145790 logG= -0.028340 TDE= -0.171016 logGD-logG0= -0.005340 tlogG= -0.024140 logG= -0.029480 logGD-logG0= -0.005302 tlogG= -0.023693 logG= -0.028995 Density= 0.107291 ETOT(band)= -0.116903 trlgG= -0.146759 logG= -0.028995 TDE= -0.170856 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107864 ETOT(band)= -0.116969 trlgG= -0.147621 logG= -0.029480 TDE= -0.171517 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.022998 logG= -0.027723 Density= 0.106938 ETOT(band)= -0.116388 trlgG= -0.145118 logG= -0.027723 TDE= -0.170314 logGD-logG0= -0.005245 tlogG= -0.023977 logG= -0.029221 Density= 0.107501 ETOT(band)= -0.116957 trlgG= -0.147156 logG= -0.029221 TDE= -0.171131 logGD-logG0= -0.004692 tlogG= -0.023679 logG= -0.028371 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106665 ETOT(band)= -0.116854 trlgG= -0.146291 logG= -0.028371 TDE= -0.170703 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023695 logG= -0.028419 logGD-logG0= -0.005326 tlogG= -0.023914 logG= -0.029239 Density= 0.107806 ETOT(band)= -0.116839 trlgG= -0.147217 logG= -0.029239 TDE= -0.171325 Density= 0.107039 ETOT(band)= -0.116740 trlgG= -0.146400 logG= -0.028419 TDE= -0.170949 logGD-logG0= -0.004846 tlogG= -0.023698 logG= -0.028544 Density= 0.107437 ETOT(band)= -0.116624 trlgG= -0.146313 logG= -0.028544 TDE= -0.170935 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.024078 logG= -0.028974 Density= 0.107117 ETOT(band)= -0.116994 trlgG= -0.147077 logG= -0.028974 TDE= -0.171110 logGD-logG0= -0.004748 tlogG= -0.023510 logG= -0.028258 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106839 ETOT(band)= -0.116709 trlgG= -0.145867 logG= -0.028258 TDE= -0.170478 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023959 logG= -0.029115 Density= 0.108278 ETOT(band)= -0.116525 trlgG= -0.147023 logG= -0.029115 TDE= -0.171489 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.005750 logG= -0.007012 Density= 0.080680 ETOT(band)= -0.087326 trlgG= -0.109554 logG= -0.007012 TDE= -0.042724 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023588 logG= -0.028918 Density= 0.107854 ETOT(band)= -0.116612 trlgG= -0.146697 logG= -0.028918 TDE= -0.171151 logGD-logG0= -0.009504 tlogG= -0.045780 logG= -0.055284 logGD-logG0= -0.009815 tlogG= -0.048262 logG= -0.058076 Density= 0.214522 ETOT(band)= -0.233948 trlgG= -0.294232 logG= -0.058076 TDE= -0.342312 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215138 ETOT(band)= -0.232113 trlgG= -0.289846 logG= -0.055284 TDE= -0.341023 logGD-logG0= -0.005282 tlogG= -0.024066 logG= -0.029348 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009134 tlogG= -0.047650 logG= -0.056785 Density= 0.213063 ETOT(band)= -0.233828 trlgG= -0.292719 logG= -0.056785 TDE= -0.341369 Density= 0.107999 ETOT(band)= -0.116815 trlgG= -0.147409 logG= -0.029348 TDE= -0.171504 logGD-logG0= -0.009681 tlogG= -0.047177 logG= -0.056858 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213896 ETOT(band)= -0.233537 trlgG= -0.292650 logG= -0.056858 TDE= -0.341639 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.045609 logG= -0.055392 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214490 ETOT(band)= -0.232458 trlgG= -0.290018 logG= -0.055392 TDE= -0.340767 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009960 tlogG= -0.047918 logG= -0.057878 Density= 0.214094 ETOT(band)= -0.233983 trlgG= -0.293916 logG= -0.057878 TDE= -0.341982 logGD-logG0= -0.009836 tlogG= -0.047178 logG= -0.057014 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213906 ETOT(band)= -0.233581 trlgG= -0.292443 logG= -0.057014 TDE= -0.341281 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048102 logG= -0.058593 Density= 0.036213 ETOT(band)= -0.038097 trlgG= -0.047225 logG= -0.008626 TDE= -0.056520 logGD-logG0= -0.010536 tlogG= -0.047767 logG= -0.058303 Density= 0.215184 ETOT(band)= -0.233932 trlgG= -0.294576 logG= -0.058593 TDE= -0.342467 Density= 0.214874 ETOT(band)= -0.233876 trlgG= -0.294063 logG= -0.058303 TDE= -0.342090 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010083 tlogG= -0.048048 logG= -0.058132 Density= 0.214651 ETOT(band)= -0.233896 trlgG= -0.293983 logG= -0.058132 TDE= -0.342072 logGD-logG0= -0.009454 tlogG= -0.047466 logG= -0.056920 Density= 0.214435 ETOT(band)= -0.233371 trlgG= -0.292786 logG= -0.056920 TDE= -0.341979 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.047333 logG= -0.057755 Density= 0.214384 ETOT(band)= -0.233766 trlgG= -0.293146 logG= -0.057755 TDE= -0.341478 logGD-logG0= -0.010636 tlogG= -0.047545 logG= -0.058180 Density= 0.215808 ETOT(band)= -0.233384 trlgG= -0.293956 logG= -0.058180 TDE= -0.342568 logGD-logG0= -0.005130 tlogG= -0.022451 logG= -0.027580 Density= 0.216478 ETOT(band)= -0.231107 trlgG= -0.288463 logG= -0.027580 TDE= -0.170478 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.045670 logG= -0.055558 logGD-logG0= -0.004923 tlogG= -0.023894 logG= -0.028817 Density= 0.215268 ETOT(band)= -0.232190 trlgG= -0.289840 logG= -0.055558 TDE= -0.340808 logGD-logG0= -0.010197 tlogG= -0.047682 logG= -0.057878 logGD-logG0= -0.010683 tlogG= -0.048169 logG= -0.058852 Density= 0.213915 ETOT(band)= -0.233810 trlgG= -0.292840 logG= -0.028817 TDE= -0.170702 Density= 0.214074 ETOT(band)= -0.233970 trlgG= -0.293669 logG= -0.057878 TDE= -0.341725 logGD-logG0= -0.010198 tlogG= -0.046435 logG= -0.056633 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215533 ETOT(band)= -0.233951 trlgG= -0.295043 logG= -0.058852 TDE= -0.342847 Density= 0.215331 ETOT(band)= -0.232753 trlgG= -0.291469 logG= -0.056633 TDE= -0.341393 logGD-logG0= -0.005192 tlogG= -0.022978 logG= -0.028170 Density= 0.216332 ETOT(band)= -0.231904 trlgG= -0.290446 logG= -0.028170 TDE= -0.170812 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010338 tlogG= -0.048002 logG= -0.058340 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047957 logG= -0.058519 Density= 0.216002 ETOT(band)= -0.233502 trlgG= -0.294519 logG= -0.058519 TDE= -0.342889 logGD-logG0= -0.010400 tlogG= -0.047807 logG= -0.058207 Density= 0.215187 ETOT(band)= -0.233787 trlgG= -0.294160 logG= -0.058340 TDE= -0.342305 Density= 0.214774 ETOT(band)= -0.233869 trlgG= -0.293893 logG= -0.058207 TDE= -0.341967 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047244 logG= -0.057053 Density= 0.214599 ETOT(band)= -0.233335 trlgG= -0.292562 logG= -0.057053 TDE= -0.341704 logGD-logG0= -0.010616 tlogG= -0.047905 logG= -0.058522 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010593 tlogG= -0.047446 logG= -0.058039 Density= 0.215578 ETOT(band)= -0.233423 trlgG= -0.293713 logG= -0.058039 TDE= -0.342353 Density= 0.215875 ETOT(band)= -0.233573 trlgG= -0.294519 logG= -0.058522 TDE= -0.342824 logGD-logG0= -0.004844 tlogG= -0.023845 logG= -0.028689 Density= 0.213703 ETOT(band)= -0.233946 trlgG= -0.293576 logG= -0.028689 TDE= -0.170958 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023207 logG= -0.028384 Density= 0.214988 ETOT(band)= -0.232764 trlgG= -0.291064 logG= -0.028384 TDE= -0.170527 logGD-logG0= -0.010635 tlogG= -0.046904 logG= -0.057539 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002472 tlogG= -0.010846 logG= -0.013318 Density= 0.215541 ETOT(band)= -0.233146 trlgG= -0.292913 logG= -0.057539 TDE= -0.342035 Density= 0.054091 ETOT(band)= -0.057544 trlgG= -0.071504 logG= -0.013318 TDE= -0.084953 logGD-logG0= -0.005443 tlogG= -0.023367 logG= -0.028810 Density= 0.215222 ETOT(band)= -0.233166 trlgG= -0.292560 logG= -0.028810 TDE= -0.170871 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047174 logG= -0.057284 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215266 ETOT(band)= -0.233154 trlgG= -0.292484 logG= -0.057284 TDE= -0.341725 logGD-logG0= -0.005028 tlogG= -0.022419 logG= -0.027447 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107694 ETOT(band)= -0.115867 trlgG= -0.144362 logG= -0.027447 TDE= -0.170207 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.048037 logG= -0.058608 Density= 0.215220 ETOT(band)= -0.233923 trlgG= -0.294603 logG= -0.058608 TDE= -0.342497 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.021828 logG= -0.026914 Density= 0.107847 ETOT(band)= -0.115440 trlgG= -0.143490 logG= -0.026914 TDE= -0.169944 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005027 tlogG= -0.021705 logG= -0.026732 Density= 0.107989 ETOT(band)= -0.115249 trlgG= -0.143181 logG= -0.026732 TDE= -0.169888 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004807 tlogG= -0.022337 logG= -0.027144 Density= 0.215150 ETOT(band)= -0.231764 trlgG= -0.288939 logG= -0.027144 TDE= -0.170165 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007222 Density= 0.080873 ETOT(band)= -0.087578 trlgG= -0.110306 logG= -0.007222 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007265 Density= 0.081099 ETOT(band)= -0.087483 trlgG= -0.110362 logG= -0.007265 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070914 ETOT(band)= -0.077879 trlgG= -0.097396 logG= -0.009404 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023595 logG= -0.028093 Density= 0.212761 ETOT(band)= -0.233783 trlgG= -0.292570 logG= -0.028093 TDE= -0.170606 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.023748 logG= -0.028191 Density= 0.213225 ETOT(band)= -0.233380 trlgG= -0.291599 logG= -0.028191 TDE= -0.170690 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005174 logG= -0.006365 Density= 0.062577 ETOT(band)= -0.067488 trlgG= -0.084163 logG= -0.006365 TDE= -0.042338 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042642 trlgG= -0.052775 logG= -0.008465 TDE= -0.056434 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004611 tlogG= -0.023900 logG= -0.028511 Density= 0.213416 ETOT(band)= -0.233657 trlgG= -0.292333 logG= -0.028511 TDE= -0.170695 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023770 logG= -0.028985 Density= 0.216381 ETOT(band)= -0.232858 trlgG= -0.293268 logG= -0.028985 TDE= -0.171336 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009167 Density= 0.071540 ETOT(band)= -0.077283 trlgG= -0.096104 logG= -0.009167 TDE= -0.056708 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.022916 logG= -0.027893 Density= 0.214920 ETOT(band)= -0.232210 trlgG= -0.289537 logG= -0.027893 TDE= -0.170343 logGD-logG0= -0.001698 tlogG= -0.007121 logG= -0.008818 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072266 ETOT(band)= -0.076421 trlgG= -0.094797 logG= -0.008818 TDE= -0.056594 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.022302 logG= -0.027262 Density= 0.214390 ETOT(band)= -0.232246 trlgG= -0.289286 logG= -0.027262 TDE= -0.170078 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.022483 logG= -0.027411 Density= 0.215146 ETOT(band)= -0.231475 trlgG= -0.287895 logG= -0.027411 TDE= -0.170091 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023905 logG= -0.029284 Density= 0.215754 ETOT(band)= -0.233575 trlgG= -0.294401 logG= -0.029284 TDE= -0.171341 logGD-logG0= -0.004921 tlogG= -0.021313 logG= -0.026235 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162726 ETOT(band)= -0.172855 trlgG= -0.215816 logG= -0.026235 TDE= -0.169795 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004308 tlogG= -0.024140 logG= -0.028448 Density= 0.212317 ETOT(band)= -0.234159 trlgG= -0.293514 logG= -0.028448 TDE= -0.170888 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006519 Density= 0.081596 ETOT(band)= -0.085623 trlgG= -0.106163 logG= -0.006519 TDE= -0.042440 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009662 tlogG= -0.047673 logG= -0.057335 Density= 0.426936 ETOT(band)= -0.467961 trlgG= -0.586646 logG= -0.057335 TDE= -0.341616 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.021218 logG= -0.026180 Density= 0.216457 ETOT(band)= -0.229861 trlgG= -0.285401 logG= -0.026180 TDE= -0.169715 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009991 tlogG= -0.044644 logG= -0.054636 Density= 0.324453 ETOT(band)= -0.346406 trlgG= -0.431745 logG= -0.054636 TDE= -0.340602 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.021891 logG= -0.026983 Density= 0.216735 ETOT(band)= -0.230110 trlgG= -0.286350 logG= -0.026983 TDE= -0.170139 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021362 logG= -0.026366 Density= 0.217125 ETOT(band)= -0.229006 trlgG= -0.284151 logG= -0.026366 TDE= -0.169808 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086899 trlgG= -0.108553 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007134 Density= 0.080691 ETOT(band)= -0.087541 trlgG= -0.110109 logG= -0.007134 TDE= -0.042789 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024009 logG= -0.029247 Density= 0.215794 ETOT(band)= -0.233672 trlgG= -0.294673 logG= -0.029247 TDE= -0.171486 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023807 logG= -0.029079 Density= 0.215446 ETOT(band)= -0.233576 trlgG= -0.294020 logG= -0.029079 TDE= -0.171334 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009841 tlogG= -0.044645 logG= -0.054486 Density= 0.431838 ETOT(band)= -0.461718 trlgG= -0.574452 logG= -0.054486 TDE= -0.340239 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005261 tlogG= -0.023495 logG= -0.028756 Density= 0.215329 ETOT(band)= -0.233140 trlgG= -0.292756 logG= -0.028756 TDE= -0.171077 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.047803 logG= -0.058236 Density= 0.324505 ETOT(band)= -0.349644 trlgG= -0.440803 logG= -0.058236 TDE= -0.342848 logGD-logG0= -0.005195 tlogG= -0.023965 logG= -0.029160 Density= 0.216490 ETOT(band)= -0.233057 trlgG= -0.293973 logG= -0.029160 TDE= -0.171477 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024015 logG= -0.028797 Density= 0.321748 ETOT(band)= -0.350815 trlgG= -0.441104 logG= -0.028797 TDE= -0.171136 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023856 logG= -0.028940 Density= 0.215606 ETOT(band)= -0.233573 trlgG= -0.294121 logG= -0.028940 TDE= -0.171021 logGD-logG0= -0.005028 tlogG= -0.024166 logG= -0.029194 Density= 0.214858 ETOT(band)= -0.233975 trlgG= -0.294371 logG= -0.029194 TDE= -0.171147 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024172 logG= -0.029225 logGD-logG0= -0.005331 tlogG= -0.024129 logG= -0.029460 Density= 0.322612 ETOT(band)= -0.350936 trlgG= -0.441783 logG= -0.029225 TDE= -0.171142 Density= 0.215826 ETOT(band)= -0.233828 trlgG= -0.295087 logG= -0.029460 TDE= -0.171517 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.023692 logG= -0.029118 Density= 0.215519 ETOT(band)= -0.233426 trlgG= -0.293701 logG= -0.029118 TDE= -0.171164 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023966 logG= -0.029053 logGD-logG0= -0.008973 tlogG= -0.048114 logG= -0.057087 Density= 0.425812 ETOT(band)= -0.467923 trlgG= -0.586129 logG= -0.057087 TDE= -0.341602 Density= 0.214461 ETOT(band)= -0.233900 trlgG= -0.293752 logG= -0.029053 TDE= -0.170973 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024008 logG= -0.029210 Density= 0.216457 ETOT(band)= -0.233160 trlgG= -0.294204 logG= -0.029210 TDE= -0.171504 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023982 logG= -0.028567 logGD-logG0= -0.009466 tlogG= -0.046733 logG= -0.056198 Density= 0.212946 ETOT(band)= -0.234063 trlgG= -0.293323 logG= -0.028567 TDE= -0.170744 Density= 0.428153 ETOT(band)= -0.465733 trlgG= -0.581525 logG= -0.056198 TDE= -0.341039 logGD-logG0= -0.005221 tlogG= -0.023424 logG= -0.028645 Density= 0.216303 ETOT(band)= -0.232478 trlgG= -0.292061 logG= -0.028645 TDE= -0.171098 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.045654 logG= -0.055850 Density= 0.324209 ETOT(band)= -0.347675 trlgG= -0.434752 logG= -0.055850 TDE= -0.341278 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024095 logG= -0.029353 logGD-logG0= -0.010711 tlogG= -0.048060 logG= -0.058771 Density= 0.323227 ETOT(band)= -0.350912 trlgG= -0.442434 logG= -0.029353 TDE= -0.171331 Density= 0.323411 ETOT(band)= -0.350706 trlgG= -0.442133 logG= -0.058771 TDE= -0.342838 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010479 tlogG= -0.047252 logG= -0.057731 logGD-logG0= -0.009616 tlogG= -0.047792 logG= -0.057408 Density= 0.324290 ETOT(band)= -0.349276 trlgG= -0.439455 logG= -0.057731 TDE= -0.342457 Density= 0.427436 ETOT(band)= -0.467516 trlgG= -0.585505 logG= -0.057408 TDE= -0.341318 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.046625 logG= -0.056329 Density= 0.322882 ETOT(band)= -0.348732 trlgG= -0.436180 logG= -0.056329 TDE= -0.341433 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024015 logG= -0.028765 logGD-logG0= -0.004793 tlogG= -0.023253 logG= -0.028046 Density= 0.213632 ETOT(band)= -0.233412 trlgG= -0.292059 logG= -0.028046 TDE= -0.170655 logGD-logG0= -0.009952 tlogG= -0.046420 logG= -0.056372 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429774 ETOT(band)= -0.465177 trlgG= -0.581216 logG= -0.056372 TDE= -0.341153 logGD-logG0= -0.010474 tlogG= -0.046433 logG= -0.056908 Density= 0.324158 ETOT(band)= -0.348619 trlgG= -0.437369 logG= -0.056908 TDE= -0.341901 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214245 ETOT(band)= -0.233888 trlgG= -0.293970 logG= -0.028765 TDE= -0.171140 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023377 logG= -0.028071 Density= 0.321821 ETOT(band)= -0.349768 trlgG= -0.438528 logG= -0.028071 TDE= -0.170811 logGD-logG0= -0.004663 tlogG= -0.023380 logG= -0.028042 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214310 ETOT(band)= -0.233176 trlgG= -0.292178 logG= -0.028042 TDE= -0.170819 logGD-logG0= -0.005040 tlogG= -0.023256 logG= -0.028295 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321884 ETOT(band)= -0.350276 trlgG= -0.439378 logG= -0.028295 TDE= -0.170764 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009660 tlogG= -0.047857 logG= -0.057517 Density= 0.428287 ETOT(band)= -0.467760 trlgG= -0.587526 logG= -0.057517 TDE= -0.342086 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.046626 logG= -0.056150 Density= 0.428352 ETOT(band)= -0.466457 trlgG= -0.584133 logG= -0.056150 TDE= -0.341456 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.047688 logG= -0.057959 logGD-logG0= -0.005364 tlogG= -0.023965 logG= -0.029329 Density= 0.323821 ETOT(band)= -0.350383 trlgG= -0.441883 logG= -0.029329 TDE= -0.171390 Density= 0.428537 ETOT(band)= -0.467746 trlgG= -0.586858 logG= -0.057959 TDE= -0.341727 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.048167 logG= -0.058330 Density= 0.429536 ETOT(band)= -0.467883 trlgG= -0.588301 logG= -0.058330 TDE= -0.342134 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010784 tlogG= -0.047708 logG= -0.058492 logGD-logG0= -0.009836 tlogG= -0.047873 logG= -0.057708 Density= 0.431310 ETOT(band)= -0.467099 trlgG= -0.588397 logG= -0.058492 TDE= -0.342591 Density= 0.429374 ETOT(band)= -0.467545 trlgG= -0.587511 logG= -0.057708 TDE= -0.342075 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047578 logG= -0.057594 Density= 0.428853 ETOT(band)= -0.467093 trlgG= -0.585904 logG= -0.057594 TDE= -0.341772 logGD-logG0= -0.010335 tlogG= -0.046952 logG= -0.057286 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430114 ETOT(band)= -0.466096 trlgG= -0.583906 logG= -0.057286 TDE= -0.341436 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047976 logG= -0.058307 Density= 0.429440 ETOT(band)= -0.467844 trlgG= -0.587940 logG= -0.058307 TDE= -0.341968 logGD-logG0= -0.010673 tlogG= -0.047752 logG= -0.058425 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430972 ETOT(band)= -0.467152 trlgG= -0.588034 logG= -0.058425 TDE= -0.342484 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022338 logG= -0.027185 logGD-logG0= -0.010709 tlogG= -0.048033 logG= -0.058741 Density= 0.323051 ETOT(band)= -0.347701 trlgG= -0.433791 logG= -0.027185 TDE= -0.170160 Density= 0.431548 ETOT(band)= -0.467382 trlgG= -0.589391 logG= -0.058741 TDE= -0.342856 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010505 tlogG= -0.048092 logG= -0.058597 Density= 0.430370 ETOT(band)= -0.467723 trlgG= -0.588740 logG= -0.058597 TDE= -0.342466 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047591 logG= -0.057850 Density= 0.430240 ETOT(band)= -0.466744 trlgG= -0.585835 logG= -0.057850 TDE= -0.341881 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047291 logG= -0.058023 Density= 0.430706 ETOT(band)= -0.466727 trlgG= -0.586562 logG= -0.058023 TDE= -0.342101 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081241 ETOT(band)= -0.086288 trlgG= -0.107319 logG= -0.006699 TDE= -0.042551 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010295 tlogG= -0.048242 logG= -0.058537 Density= 0.430264 ETOT(band)= -0.467892 trlgG= -0.589067 logG= -0.058537 TDE= -0.342341 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.555613879669 eV TrLogG= -407.137098692329 eV Ratio to renormalize= 0.999483100654 rho-rho_expected= 0.011377666711 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964463154789935 0.940030038279575 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002341 tlogG= -0.011453 logG= -0.013793 Density= 0.053767 ETOT(band)= -0.058021 trlgG= -0.072460 logG= -0.013793 TDE= -0.085273 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022181 logG= -0.027151 Density= 0.108411 ETOT(band)= -0.115340 trlgG= -0.143881 logG= -0.027151 TDE= -0.170377 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004557 tlogG= -0.024055 logG= -0.028612 Density= 0.106457 ETOT(band)= -0.117046 trlgG= -0.146708 logG= -0.028612 TDE= -0.170776 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023225 logG= -0.028340 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004729 trlgG= -0.005850 logG= -0.001050 TDE= -0.007049 Density= 0.108245 ETOT(band)= -0.116111 trlgG= -0.145790 logG= -0.028340 TDE= -0.171015 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004692 tlogG= -0.023679 logG= -0.028371 Density= 0.106665 ETOT(band)= -0.116853 trlgG= -0.146291 logG= -0.028371 TDE= -0.170703 logGD-logG0= -0.004915 tlogG= -0.023905 logG= -0.028819 Density= 0.106821 ETOT(band)= -0.117010 trlgG= -0.146819 logG= -0.028819 TDE= -0.170860 logGD-logG0= -0.004724 tlogG= -0.023695 logG= -0.028419 Density= 0.107039 ETOT(band)= -0.116739 trlgG= -0.146399 logG= -0.028419 TDE= -0.170949 logGD-logG0= -0.005126 tlogG= -0.022886 logG= -0.028012 Density= 0.107674 ETOT(band)= -0.116201 trlgG= -0.145257 logG= -0.028012 TDE= -0.170527 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035515 ETOT(band)= -0.038889 trlgG= -0.048577 logG= -0.009305 TDE= -0.056847 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004334 tlogG= -0.024060 logG= -0.028394 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009456 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048940 logG= -0.009456 TDE= -0.056971 Density= 0.106189 ETOT(band)= -0.117055 trlgG= -0.146695 logG= -0.028394 TDE= -0.170849 logGD-logG0= -0.002610 tlogG= -0.012037 logG= -0.014647 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053791 ETOT(band)= -0.058485 trlgG= -0.073642 logG= -0.014647 TDE= -0.085613 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012086 logG= -0.014514 Density= 0.053614 ETOT(band)= -0.058495 trlgG= -0.073585 logG= -0.014514 TDE= -0.085601 logGD-logG0= -0.004361 tlogG= -0.023983 logG= -0.028344 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106241 ETOT(band)= -0.117011 trlgG= -0.146582 logG= -0.028344 TDE= -0.170812 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004637 tlogG= -0.023214 logG= -0.027851 Density= 0.106803 ETOT(band)= -0.116517 trlgG= -0.145380 logG= -0.027851 TDE= -0.170381 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.022419 logG= -0.027447 Density= 0.107693 ETOT(band)= -0.115867 trlgG= -0.144362 logG= -0.027447 TDE= -0.170207 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023510 logG= -0.028258 Density= 0.106839 ETOT(band)= -0.116709 trlgG= -0.145866 logG= -0.028258 TDE= -0.170478 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011988 logG= -0.014557 Density= 0.054162 ETOT(band)= -0.058250 trlgG= -0.073509 logG= -0.014557 TDE= -0.085755 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011888 logG= -0.014221 Density= 0.053592 ETOT(band)= -0.058350 trlgG= -0.073222 logG= -0.014221 TDE= -0.085522 logGD-logG0= -0.005294 tlogG= -0.024082 logG= -0.029375 Density= 0.107697 ETOT(band)= -0.116972 trlgG= -0.147430 logG= -0.029375 TDE= -0.171349 logGD-logG0= -0.004724 tlogG= -0.022998 logG= -0.027723 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023772 logG= -0.028941 logGD-logG0= -0.005164 tlogG= -0.023439 logG= -0.028603 Density= 0.108182 ETOT(band)= -0.116287 trlgG= -0.146208 logG= -0.028603 TDE= -0.171138 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108228 ETOT(band)= -0.116450 trlgG= -0.146744 logG= -0.028941 TDE= -0.171359 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023958 logG= -0.029115 logGD-logG0= -0.005121 tlogG= -0.022992 logG= -0.028114 Density= 0.108187 ETOT(band)= -0.116017 trlgG= -0.145434 logG= -0.028114 TDE= -0.170856 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108278 ETOT(band)= -0.116525 trlgG= -0.147022 logG= -0.029115 TDE= -0.171489 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022468 logG= -0.027521 Density= 0.108256 ETOT(band)= -0.115645 trlgG= -0.144487 logG= -0.027521 TDE= -0.170537 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106938 ETOT(band)= -0.116387 trlgG= -0.145118 logG= -0.027723 TDE= -0.170313 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014629 Density= 0.054009 ETOT(band)= -0.058370 trlgG= -0.073628 logG= -0.014629 TDE= -0.085726 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023614 logG= -0.028760 Density= 0.108254 ETOT(band)= -0.116334 trlgG= -0.146453 logG= -0.028760 TDE= -0.171262 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023698 logG= -0.028544 Density= 0.107437 ETOT(band)= -0.116624 trlgG= -0.146313 logG= -0.028544 TDE= -0.170935 logGD-logG0= -0.005340 tlogG= -0.024140 logG= -0.029480 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023880 logG= -0.029024 Density= 0.108299 ETOT(band)= -0.116461 trlgG= -0.146874 logG= -0.029024 TDE= -0.171442 logGD-logG0= -0.005010 tlogG= -0.023655 logG= -0.028665 Density= 0.107041 ETOT(band)= -0.116829 trlgG= -0.146207 logG= -0.028665 TDE= -0.170511 Density= 0.107864 ETOT(band)= -0.116969 trlgG= -0.147620 logG= -0.029480 TDE= -0.171517 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.023977 logG= -0.029221 Density= 0.107501 ETOT(band)= -0.116957 trlgG= -0.147155 logG= -0.029221 TDE= -0.171131 logGD-logG0= -0.005326 tlogG= -0.023914 logG= -0.029239 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107805 ETOT(band)= -0.116839 trlgG= -0.147216 logG= -0.029239 TDE= -0.171324 logGD-logG0= -0.005049 tlogG= -0.022744 logG= -0.027793 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108300 ETOT(band)= -0.115782 trlgG= -0.144924 logG= -0.027793 TDE= -0.170723 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 Density= 0.036213 ETOT(band)= -0.038097 trlgG= -0.047225 logG= -0.008626 TDE= -0.056520 logGD-logG0= -0.004880 tlogG= -0.022860 logG= -0.027740 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107805 ETOT(band)= -0.115997 trlgG= -0.144848 logG= -0.027740 TDE= -0.170455 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023693 logG= -0.028995 logGD-logG0= -0.005009 tlogG= -0.024102 logG= -0.029111 Density= 0.107437 ETOT(band)= -0.116935 trlgG= -0.147055 logG= -0.029111 TDE= -0.171109 Density= 0.107291 ETOT(band)= -0.116903 trlgG= -0.146758 logG= -0.028995 TDE= -0.170856 logGD-logG0= -0.005307 tlogG= -0.024094 logG= -0.029401 logGD-logG0= -0.001696 tlogG= -0.007307 logG= -0.009003 Density= 0.035864 ETOT(band)= -0.038543 trlgG= -0.047883 logG= -0.009003 TDE= -0.056627 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107940 ETOT(band)= -0.116882 trlgG= -0.147496 logG= -0.029401 TDE= -0.171509 logGD-logG0= -0.002411 tlogG= -0.010432 logG= -0.012844 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054403 ETOT(band)= -0.057029 trlgG= -0.070661 logG= -0.012844 TDE= -0.084739 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005316 tlogG= -0.023208 logG= -0.028524 Density= 0.107739 ETOT(band)= -0.116449 trlgG= -0.146067 logG= -0.028524 TDE= -0.170857 logGD-logG0= -0.004757 tlogG= -0.022861 logG= -0.027618 Density= 0.107359 ETOT(band)= -0.116138 trlgG= -0.144970 logG= -0.027618 TDE= -0.170478 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.024077 logG= -0.028974 Density= 0.107117 ETOT(band)= -0.116993 trlgG= -0.147077 logG= -0.028974 TDE= -0.171110 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023878 logG= -0.029171 Density= 0.107968 ETOT(band)= -0.116709 trlgG= -0.147112 logG= -0.029171 TDE= -0.171369 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009815 tlogG= -0.048262 logG= -0.058076 Density= 0.214521 ETOT(band)= -0.233948 trlgG= -0.294231 logG= -0.058076 TDE= -0.342311 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009504 tlogG= -0.045780 logG= -0.055284 logGD-logG0= -0.009135 tlogG= -0.047650 logG= -0.056785 Density= 0.215138 ETOT(band)= -0.232112 trlgG= -0.289845 logG= -0.055284 TDE= -0.341022 Density= 0.213063 ETOT(band)= -0.233828 trlgG= -0.292718 logG= -0.056785 TDE= -0.341368 logGD-logG0= -0.005330 tlogG= -0.023588 logG= -0.028918 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.047177 logG= -0.056858 Density= 0.107854 ETOT(band)= -0.116612 trlgG= -0.146697 logG= -0.028918 TDE= -0.171150 Density= 0.213896 ETOT(band)= -0.233536 trlgG= -0.292650 logG= -0.056858 TDE= -0.341638 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010536 tlogG= -0.047767 logG= -0.058303 Density= 0.214873 ETOT(band)= -0.233875 trlgG= -0.294062 logG= -0.058303 TDE= -0.342090 logGD-logG0= -0.009561 tlogG= -0.047953 logG= -0.057514 Density= 0.213405 ETOT(band)= -0.234040 trlgG= -0.293360 logG= -0.057514 TDE= -0.341449 logGD-logG0= -0.009783 tlogG= -0.045609 logG= -0.055392 Density= 0.214490 ETOT(band)= -0.232457 trlgG= -0.290017 logG= -0.055392 TDE= -0.340766 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.047466 logG= -0.056920 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214435 ETOT(band)= -0.233371 trlgG= -0.292785 logG= -0.056920 TDE= -0.341978 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.024066 logG= -0.029348 Density= 0.107999 ETOT(band)= -0.116815 trlgG= -0.147408 logG= -0.029348 TDE= -0.171504 logGD-logG0= -0.009960 tlogG= -0.047918 logG= -0.057878 logGD-logG0= -0.010491 tlogG= -0.048102 logG= -0.058593 Density= 0.215184 ETOT(band)= -0.233931 trlgG= -0.294575 logG= -0.058593 TDE= -0.342466 logGD-logG0= -0.010338 tlogG= -0.048002 logG= -0.058340 Density= 0.214093 ETOT(band)= -0.233983 trlgG= -0.293915 logG= -0.057878 TDE= -0.341982 logGD-logG0= -0.009836 tlogG= -0.047178 logG= -0.057014 Density= 0.215187 ETOT(band)= -0.233786 trlgG= -0.294159 logG= -0.058340 TDE= -0.342305 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.021576 logG= -0.026496 Density= 0.108566 ETOT(band)= -0.114790 trlgG= -0.142755 logG= -0.026496 TDE= -0.169982 logGD-logG0= -0.010083 tlogG= -0.048048 logG= -0.058132 Density= 0.214650 ETOT(band)= -0.233896 trlgG= -0.293983 logG= -0.058132 TDE= -0.342071 Density= 0.213906 ETOT(band)= -0.233581 trlgG= -0.292443 logG= -0.057014 TDE= -0.341280 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.047682 logG= -0.057878 logGD-logG0= -0.010636 tlogG= -0.047544 logG= -0.058180 Density= 0.214074 ETOT(band)= -0.233970 trlgG= -0.293668 logG= -0.057878 TDE= -0.341724 logGD-logG0= -0.010400 tlogG= -0.047807 logG= -0.058207 Density= 0.214774 ETOT(band)= -0.233868 trlgG= -0.293892 logG= -0.058207 TDE= -0.341966 Density= 0.215808 ETOT(band)= -0.233384 trlgG= -0.293955 logG= -0.058180 TDE= -0.342567 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.045670 logG= -0.055558 logGD-logG0= -0.010562 tlogG= -0.047957 logG= -0.058519 Density= 0.215268 ETOT(band)= -0.232189 trlgG= -0.289839 logG= -0.055558 TDE= -0.340807 Density= 0.216002 ETOT(band)= -0.233501 trlgG= -0.294519 logG= -0.058519 TDE= -0.342888 logGD-logG0= -0.010683 tlogG= -0.048169 logG= -0.058852 logGD-logG0= -0.010571 tlogG= -0.048037 logG= -0.058608 Density= 0.215533 ETOT(band)= -0.233950 trlgG= -0.295042 logG= -0.058852 TDE= -0.342847 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215220 ETOT(band)= -0.233923 trlgG= -0.294603 logG= -0.058608 TDE= -0.342496 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.047333 logG= -0.057755 logGD-logG0= -0.004840 tlogG= -0.021001 logG= -0.025841 Density= 0.108760 ETOT(band)= -0.114204 trlgG= -0.141601 logG= -0.025841 TDE= -0.169579 Density= 0.214384 ETOT(band)= -0.233765 trlgG= -0.293145 logG= -0.057755 TDE= -0.341477 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.046435 logG= -0.056633 Density= 0.215331 ETOT(band)= -0.232753 trlgG= -0.291468 logG= -0.056633 TDE= -0.341392 logGD-logG0= -0.010616 tlogG= -0.047905 logG= -0.058522 logGD-logG0= -0.010593 tlogG= -0.047446 logG= -0.058039 Density= 0.215578 ETOT(band)= -0.233422 trlgG= -0.293712 logG= -0.058039 TDE= -0.342352 logGD-logG0= -0.009809 tlogG= -0.047244 logG= -0.057052 Density= 0.214599 ETOT(band)= -0.233334 trlgG= -0.292561 logG= -0.057052 TDE= -0.341703 logGD-logG0= -0.002472 tlogG= -0.010846 logG= -0.013318 Density= 0.215874 ETOT(band)= -0.233573 trlgG= -0.294519 logG= -0.058522 TDE= -0.342823 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054091 ETOT(band)= -0.057544 trlgG= -0.071504 logG= -0.013318 TDE= -0.084953 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010635 tlogG= -0.046904 logG= -0.057539 Density= 0.215541 ETOT(band)= -0.233145 trlgG= -0.292913 logG= -0.057539 TDE= -0.342034 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.021828 logG= -0.026914 Density= 0.107847 ETOT(band)= -0.115440 trlgG= -0.143489 logG= -0.026914 TDE= -0.169943 logGD-logG0= -0.010110 tlogG= -0.047174 logG= -0.057284 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215266 ETOT(band)= -0.233154 trlgG= -0.292484 logG= -0.057284 TDE= -0.341724 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.021705 logG= -0.026732 Density= 0.107989 ETOT(band)= -0.115249 trlgG= -0.143181 logG= -0.026732 TDE= -0.169888 logGD-logG0= -0.005006 tlogG= -0.021886 logG= -0.026892 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108377 ETOT(band)= -0.115155 trlgG= -0.143433 logG= -0.026892 TDE= -0.170171 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043411 logG= -0.053460 Density= 0.216388 ETOT(band)= -0.230289 trlgG= -0.286342 logG= -0.053460 TDE= -0.339962 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086899 trlgG= -0.108553 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022451 logG= -0.027580 Density= 0.216478 ETOT(band)= -0.231107 trlgG= -0.288463 logG= -0.027580 TDE= -0.170478 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023424 logG= -0.028645 Density= 0.216303 ETOT(band)= -0.232478 trlgG= -0.292060 logG= -0.028645 TDE= -0.171098 logGD-logG0= -0.004585 tlogG= -0.023982 logG= -0.028567 Density= 0.212946 ETOT(band)= -0.234062 trlgG= -0.293322 logG= -0.028567 TDE= -0.170743 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023253 logG= -0.028046 Density= 0.213632 ETOT(band)= -0.233412 trlgG= -0.292059 logG= -0.028046 TDE= -0.170654 logGD-logG0= -0.004844 tlogG= -0.023845 logG= -0.028689 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213702 ETOT(band)= -0.233945 trlgG= -0.293576 logG= -0.028689 TDE= -0.170958 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023380 logG= -0.028042 Density= 0.214310 ETOT(band)= -0.233175 trlgG= -0.292177 logG= -0.028042 TDE= -0.170819 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023207 logG= -0.028384 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070914 ETOT(band)= -0.077879 trlgG= -0.097396 logG= -0.009404 TDE= -0.056932 Density= 0.214987 ETOT(band)= -0.232764 trlgG= -0.291064 logG= -0.028384 TDE= -0.170527 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007222 Density= 0.080872 ETOT(band)= -0.087578 trlgG= -0.110306 logG= -0.007222 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024140 logG= -0.028448 Density= 0.212317 ETOT(band)= -0.234159 trlgG= -0.293513 logG= -0.028448 TDE= -0.170888 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007134 Density= 0.080691 ETOT(band)= -0.087541 trlgG= -0.110109 logG= -0.007134 TDE= -0.042789 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.023748 logG= -0.028190 Density= 0.213225 ETOT(band)= -0.233379 trlgG= -0.291598 logG= -0.028190 TDE= -0.170690 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023595 logG= -0.028093 Density= 0.212761 ETOT(band)= -0.233782 trlgG= -0.292569 logG= -0.028093 TDE= -0.170605 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023900 logG= -0.028511 Density= 0.213416 ETOT(band)= -0.233657 trlgG= -0.292332 logG= -0.028511 TDE= -0.170695 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042642 trlgG= -0.052775 logG= -0.008465 TDE= -0.056434 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.022916 logG= -0.027893 logGD-logG0= -0.005238 tlogG= -0.024009 logG= -0.029247 logGD-logG0= -0.001262 tlogG= -0.005750 logG= -0.007012 Density= 0.215793 ETOT(band)= -0.233672 trlgG= -0.294672 logG= -0.029247 TDE= -0.171486 Density= 0.080680 ETOT(band)= -0.087326 trlgG= -0.109554 logG= -0.007012 TDE= -0.042724 Density= 0.214920 ETOT(band)= -0.232209 trlgG= -0.289536 logG= -0.027893 TDE= -0.170343 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007265 Density= 0.081099 ETOT(band)= -0.087483 trlgG= -0.110361 logG= -0.007265 TDE= -0.042873 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009167 Density= 0.071540 ETOT(band)= -0.077283 trlgG= -0.096103 logG= -0.009167 TDE= -0.056708 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023807 logG= -0.029079 Density= 0.215445 ETOT(band)= -0.233575 trlgG= -0.294019 logG= -0.029079 TDE= -0.171333 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023495 logG= -0.028756 Density= 0.215329 ETOT(band)= -0.233139 trlgG= -0.292755 logG= -0.028756 TDE= -0.171077 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024007 logG= -0.029210 Density= 0.216456 ETOT(band)= -0.233160 trlgG= -0.294204 logG= -0.029210 TDE= -0.171504 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024172 logG= -0.029225 Density= 0.322612 ETOT(band)= -0.350935 trlgG= -0.441782 logG= -0.029225 TDE= -0.171142 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.047802 logG= -0.058236 logGD-logG0= -0.005195 tlogG= -0.023965 logG= -0.029160 Density= 0.324505 ETOT(band)= -0.349644 trlgG= -0.440802 logG= -0.058236 TDE= -0.342847 Density= 0.216490 ETOT(band)= -0.233056 trlgG= -0.293972 logG= -0.029160 TDE= -0.171477 logGD-logG0= -0.005331 tlogG= -0.024129 logG= -0.029460 Density= 0.215825 ETOT(band)= -0.233828 trlgG= -0.295086 logG= -0.029460 TDE= -0.171517 logGD-logG0= -0.005215 tlogG= -0.023770 logG= -0.028985 logGD-logG0= -0.004782 tlogG= -0.024015 logG= -0.028797 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024166 logG= -0.029194 Density= 0.214858 ETOT(band)= -0.233975 trlgG= -0.294370 logG= -0.029194 TDE= -0.171146 Density= 0.321747 ETOT(band)= -0.350814 trlgG= -0.441103 logG= -0.028797 TDE= -0.171136 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023856 logG= -0.028940 Density= 0.215605 ETOT(band)= -0.233572 trlgG= -0.294120 logG= -0.028940 TDE= -0.171021 Density= 0.216381 ETOT(band)= -0.232858 trlgG= -0.293267 logG= -0.028985 TDE= -0.171336 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023894 logG= -0.028817 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213915 ETOT(band)= -0.233809 trlgG= -0.292839 logG= -0.028817 TDE= -0.170702 logGD-logG0= -0.005193 tlogG= -0.022977 logG= -0.028170 Density= 0.216332 ETOT(band)= -0.231904 trlgG= -0.290446 logG= -0.028170 TDE= -0.170811 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006519 Density= 0.081596 ETOT(band)= -0.085623 trlgG= -0.106163 logG= -0.006519 TDE= -0.042440 logGD-logG0= -0.010479 tlogG= -0.047252 logG= -0.057731 logGD-logG0= -0.010712 tlogG= -0.048060 logG= -0.058771 Density= 0.324290 ETOT(band)= -0.349275 trlgG= -0.439454 logG= -0.057731 TDE= -0.342456 logGD-logG0= -0.010197 tlogG= -0.045653 logG= -0.055850 Density= 0.323411 ETOT(band)= -0.350705 trlgG= -0.442132 logG= -0.058771 TDE= -0.342837 Density= 0.324209 ETOT(band)= -0.347674 trlgG= -0.434751 logG= -0.055850 TDE= -0.341278 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023905 logG= -0.029284 logGD-logG0= -0.005088 tlogG= -0.023966 logG= -0.029053 Density= 0.215754 ETOT(band)= -0.233574 trlgG= -0.294400 logG= -0.029284 TDE= -0.171341 Density= 0.214461 ETOT(band)= -0.233899 trlgG= -0.293752 logG= -0.029053 TDE= -0.170973 logGD-logG0= -0.004695 tlogG= -0.023377 logG= -0.028071 Density= 0.321821 ETOT(band)= -0.349767 trlgG= -0.438527 logG= -0.028071 TDE= -0.170811 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024095 logG= -0.029353 logGD-logG0= -0.010474 tlogG= -0.046433 logG= -0.056908 Density= 0.323227 ETOT(band)= -0.350912 trlgG= -0.442433 logG= -0.029353 TDE= -0.171330 Density= 0.324158 ETOT(band)= -0.348618 trlgG= -0.437368 logG= -0.056908 TDE= -0.341900 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023256 logG= -0.028295 Density= 0.321884 ETOT(band)= -0.350275 trlgG= -0.439377 logG= -0.028295 TDE= -0.170764 logGD-logG0= -0.009704 tlogG= -0.046625 logG= -0.056329 Density= 0.322882 ETOT(band)= -0.348731 trlgG= -0.436179 logG= -0.056329 TDE= -0.341433 logGD-logG0= -0.001698 tlogG= -0.007120 logG= -0.008818 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072266 ETOT(band)= -0.076421 trlgG= -0.094797 logG= -0.008818 TDE= -0.056594 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005364 tlogG= -0.023964 logG= -0.029329 Density= 0.323821 ETOT(band)= -0.350382 trlgG= -0.441882 logG= -0.029329 TDE= -0.171389 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008973 tlogG= -0.048114 logG= -0.057087 logGD-logG0= -0.005443 tlogG= -0.023367 logG= -0.028810 Density= 0.425812 ETOT(band)= -0.467922 trlgG= -0.586128 logG= -0.057087 TDE= -0.341601 Density= 0.215222 ETOT(band)= -0.233165 trlgG= -0.292559 logG= -0.028810 TDE= -0.170870 logGD-logG0= -0.004750 tlogG= -0.024015 logG= -0.028765 Density= 0.214244 ETOT(band)= -0.233888 trlgG= -0.293970 logG= -0.028765 TDE= -0.171140 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.048167 logG= -0.058330 Density= 0.429535 ETOT(band)= -0.467882 trlgG= -0.588300 logG= -0.058330 TDE= -0.342133 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.023691 logG= -0.029118 Density= 0.215518 ETOT(band)= -0.233425 trlgG= -0.293701 logG= -0.029118 TDE= -0.171164 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.022483 logG= -0.027411 logGD-logG0= -0.009466 tlogG= -0.046733 logG= -0.056198 Density= 0.428152 ETOT(band)= -0.465732 trlgG= -0.581523 logG= -0.056198 TDE= -0.341038 Density= 0.215145 ETOT(band)= -0.231475 trlgG= -0.287895 logG= -0.027411 TDE= -0.170091 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005174 logG= -0.006365 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062577 ETOT(band)= -0.067487 trlgG= -0.084163 logG= -0.006365 TDE= -0.042338 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004921 tlogG= -0.021313 logG= -0.026235 logGD-logG0= -0.009524 tlogG= -0.046625 logG= -0.056150 logGD-logG0= -0.010784 tlogG= -0.047707 logG= -0.058492 Density= 0.162726 ETOT(band)= -0.172855 trlgG= -0.215816 logG= -0.026235 TDE= -0.169795 Density= 0.428351 ETOT(band)= -0.466455 trlgG= -0.584132 logG= -0.056150 TDE= -0.341456 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431309 ETOT(band)= -0.467098 trlgG= -0.588396 logG= -0.058492 TDE= -0.342590 logGD-logG0= -0.009662 tlogG= -0.047673 logG= -0.057335 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426935 ETOT(band)= -0.467960 trlgG= -0.586644 logG= -0.057335 TDE= -0.341615 logGD-logG0= -0.009660 tlogG= -0.047857 logG= -0.057517 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047872 logG= -0.057708 logGD-logG0= -0.010271 tlogG= -0.047688 logG= -0.057959 Density= 0.428537 ETOT(band)= -0.467745 trlgG= -0.586857 logG= -0.057959 TDE= -0.341726 logGD-logG0= -0.010505 tlogG= -0.048092 logG= -0.058597 Density= 0.428286 ETOT(band)= -0.467758 trlgG= -0.587524 logG= -0.057517 TDE= -0.342085 Density= 0.429373 ETOT(band)= -0.467544 trlgG= -0.587510 logG= -0.057708 TDE= -0.342074 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430369 ETOT(band)= -0.467722 trlgG= -0.588739 logG= -0.058597 TDE= -0.342466 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047976 logG= -0.058307 Density= 0.429440 ETOT(band)= -0.467843 trlgG= -0.587939 logG= -0.058307 TDE= -0.341967 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047752 logG= -0.058425 Density= 0.430972 ETOT(band)= -0.467151 trlgG= -0.588033 logG= -0.058425 TDE= -0.342483 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047577 logG= -0.057594 logGD-logG0= -0.010296 tlogG= -0.048242 logG= -0.058537 Density= 0.428853 ETOT(band)= -0.467092 trlgG= -0.585903 logG= -0.057594 TDE= -0.341772 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430264 ETOT(band)= -0.467891 trlgG= -0.589065 logG= -0.058537 TDE= -0.342340 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.048032 logG= -0.058741 Density= 0.431547 ETOT(band)= -0.467381 trlgG= -0.589389 logG= -0.058741 TDE= -0.342855 logGD-logG0= -0.009616 tlogG= -0.047792 logG= -0.057408 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.046419 logG= -0.056372 Density= 0.429774 ETOT(band)= -0.465176 trlgG= -0.581215 logG= -0.056372 TDE= -0.341153 logGD-logG0= -0.010335 tlogG= -0.046951 logG= -0.057286 Density= 0.427435 ETOT(band)= -0.467515 trlgG= -0.585503 logG= -0.057408 TDE= -0.341318 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430114 ETOT(band)= -0.466095 trlgG= -0.583905 logG= -0.057286 TDE= -0.341436 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047290 logG= -0.058023 Density= 0.430706 ETOT(band)= -0.466726 trlgG= -0.586561 logG= -0.058023 TDE= -0.342100 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.021891 logG= -0.026983 Density= 0.216735 ETOT(band)= -0.230110 trlgG= -0.286350 logG= -0.026983 TDE= -0.170139 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004848 tlogG= -0.022337 logG= -0.027185 Density= 0.323051 ETOT(band)= -0.347700 trlgG= -0.433790 logG= -0.027185 TDE= -0.170160 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081241 ETOT(band)= -0.086288 trlgG= -0.107319 logG= -0.006699 TDE= -0.042551 logGD-logG0= -0.010259 tlogG= -0.047591 logG= -0.057850 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430240 ETOT(band)= -0.466742 trlgG= -0.585833 logG= -0.057850 TDE= -0.341880 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009991 tlogG= -0.044644 logG= -0.054636 Density= 0.324453 ETOT(band)= -0.346406 trlgG= -0.431744 logG= -0.054636 TDE= -0.340602 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.021362 logG= -0.026366 Density= 0.217125 ETOT(band)= -0.229005 trlgG= -0.284150 logG= -0.026366 TDE= -0.169808 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004808 tlogG= -0.022337 logG= -0.027144 Density= 0.215150 ETOT(band)= -0.231763 trlgG= -0.288939 logG= -0.027144 TDE= -0.170165 logGD-logG0= -0.004960 tlogG= -0.022301 logG= -0.027262 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214390 ETOT(band)= -0.232245 trlgG= -0.289285 logG= -0.027262 TDE= -0.170078 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.021218 logG= -0.026180 Density= 0.216457 ETOT(band)= -0.229861 trlgG= -0.285400 logG= -0.026180 TDE= -0.169714 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044645 logG= -0.054486 Density= 0.431838 ETOT(band)= -0.461717 trlgG= -0.574451 logG= -0.054486 TDE= -0.340238 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.554878123823 eV TrLogG= -407.136014837531 eV Ratio to renormalize= 0.999484238684 rho-rho_expected= 0.011352604175 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964467600243349 0.940034345276647 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009456 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048940 logG= -0.009456 TDE= -0.056970 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.022418 logG= -0.027447 Density= 0.107693 ETOT(band)= -0.115867 trlgG= -0.144362 logG= -0.027447 TDE= -0.170207 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011988 logG= -0.014557 Density= 0.054162 ETOT(band)= -0.058250 trlgG= -0.073509 logG= -0.014557 TDE= -0.085755 logGD-logG0= -0.001696 tlogG= -0.007307 logG= -0.009003 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035864 ETOT(band)= -0.038543 trlgG= -0.047883 logG= -0.009003 TDE= -0.056627 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 Density= 0.036213 ETOT(band)= -0.038097 trlgG= -0.047225 logG= -0.008626 TDE= -0.056520 logGD-logG0= -0.002411 tlogG= -0.010432 logG= -0.012844 Density= 0.054403 ETOT(band)= -0.057029 trlgG= -0.070661 logG= -0.012844 TDE= -0.084738 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014629 Density= 0.054009 ETOT(band)= -0.058370 trlgG= -0.073628 logG= -0.014629 TDE= -0.085726 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023880 logG= -0.029024 Density= 0.108299 ETOT(band)= -0.116460 trlgG= -0.146874 logG= -0.029024 TDE= -0.171442 logGD-logG0= -0.005245 tlogG= -0.023977 logG= -0.029221 Density= 0.107501 ETOT(band)= -0.116956 trlgG= -0.147155 logG= -0.029221 TDE= -0.171130 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023614 logG= -0.028760 Density= 0.108254 ETOT(band)= -0.116334 trlgG= -0.146453 logG= -0.028760 TDE= -0.171262 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023878 logG= -0.029171 Density= 0.107968 ETOT(band)= -0.116709 trlgG= -0.147112 logG= -0.029171 TDE= -0.171369 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.021001 logG= -0.025841 Density= 0.108760 ETOT(band)= -0.114204 trlgG= -0.141600 logG= -0.025841 TDE= -0.169579 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004729 trlgG= -0.005849 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047178 logG= -0.057014 Density= 0.213906 ETOT(band)= -0.233580 trlgG= -0.292442 logG= -0.057014 TDE= -0.341280 logGD-logG0= -0.002610 tlogG= -0.012037 logG= -0.014647 Density= 0.053791 ETOT(band)= -0.058485 trlgG= -0.073642 logG= -0.014647 TDE= -0.085613 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012086 logG= -0.014514 Density= 0.053614 ETOT(band)= -0.058495 trlgG= -0.073584 logG= -0.014514 TDE= -0.085601 logGD-logG0= -0.005027 tlogG= -0.021705 logG= -0.026732 Density= 0.107989 ETOT(band)= -0.115248 trlgG= -0.143181 logG= -0.026732 TDE= -0.169887 logGD-logG0= -0.002333 tlogG= -0.011888 logG= -0.014221 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053592 ETOT(band)= -0.058350 trlgG= -0.073222 logG= -0.014221 TDE= -0.085522 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009887 tlogG= -0.045670 logG= -0.055558 Density= 0.215268 ETOT(band)= -0.232189 trlgG= -0.289839 logG= -0.055558 TDE= -0.340806 logGD-logG0= -0.005086 tlogG= -0.021828 logG= -0.026914 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035515 ETOT(band)= -0.038889 trlgG= -0.048577 logG= -0.009305 TDE= -0.056847 Density= 0.107847 ETOT(band)= -0.115440 trlgG= -0.143489 logG= -0.026914 TDE= -0.169943 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002341 tlogG= -0.011452 logG= -0.013793 Density= 0.053767 ETOT(band)= -0.058021 trlgG= -0.072459 logG= -0.013793 TDE= -0.085273 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004334 tlogG= -0.024060 logG= -0.028394 Density= 0.106189 ETOT(band)= -0.117054 trlgG= -0.146695 logG= -0.028394 TDE= -0.170849 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023958 logG= -0.029115 Density= 0.108278 ETOT(band)= -0.116525 trlgG= -0.147022 logG= -0.029115 TDE= -0.171489 logGD-logG0= -0.005121 tlogG= -0.022992 logG= -0.028114 logGD-logG0= -0.005169 tlogG= -0.023772 logG= -0.028941 Density= 0.108228 ETOT(band)= -0.116449 trlgG= -0.146743 logG= -0.028941 TDE= -0.171359 Density= 0.108187 ETOT(band)= -0.116017 trlgG= -0.145433 logG= -0.028114 TDE= -0.170856 logGD-logG0= -0.004361 tlogG= -0.023983 logG= -0.028344 Density= 0.106241 ETOT(band)= -0.117011 trlgG= -0.146582 logG= -0.028344 TDE= -0.170811 logGD-logG0= -0.004557 tlogG= -0.024055 logG= -0.028612 Density= 0.106457 ETOT(band)= -0.117045 trlgG= -0.146708 logG= -0.028612 TDE= -0.170775 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.022860 logG= -0.027740 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022181 logG= -0.027151 Density= 0.108411 ETOT(band)= -0.115340 trlgG= -0.143881 logG= -0.027151 TDE= -0.170377 Density= 0.107805 ETOT(band)= -0.115997 trlgG= -0.144848 logG= -0.027740 TDE= -0.170455 logGD-logG0= -0.005164 tlogG= -0.023439 logG= -0.028603 Density= 0.108182 ETOT(band)= -0.116287 trlgG= -0.146208 logG= -0.028603 TDE= -0.171138 logGD-logG0= -0.005053 tlogG= -0.022468 logG= -0.027521 Density= 0.108256 ETOT(band)= -0.115644 trlgG= -0.144487 logG= -0.027521 TDE= -0.170537 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023693 logG= -0.028995 logGD-logG0= -0.004846 tlogG= -0.023698 logG= -0.028544 logGD-logG0= -0.004637 tlogG= -0.023214 logG= -0.027851 Density= 0.106803 ETOT(band)= -0.116517 trlgG= -0.145380 logG= -0.027851 TDE= -0.170380 Density= 0.107290 ETOT(band)= -0.116902 trlgG= -0.146758 logG= -0.028995 TDE= -0.170856 Density= 0.107437 ETOT(band)= -0.116624 trlgG= -0.146313 logG= -0.028544 TDE= -0.170935 logGD-logG0= -0.005307 tlogG= -0.024094 logG= -0.029401 logGD-logG0= -0.005115 tlogG= -0.023225 logG= -0.028340 Density= 0.108245 ETOT(band)= -0.116111 trlgG= -0.145790 logG= -0.028340 TDE= -0.171015 Density= 0.107940 ETOT(band)= -0.116881 trlgG= -0.147496 logG= -0.029401 TDE= -0.171509 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024140 logG= -0.029480 logGD-logG0= -0.004724 tlogG= -0.022998 logG= -0.027723 Density= 0.107864 ETOT(band)= -0.116969 trlgG= -0.147620 logG= -0.029480 TDE= -0.171517 Density= 0.106938 ETOT(band)= -0.116387 trlgG= -0.145117 logG= -0.027723 TDE= -0.170313 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023655 logG= -0.028665 Density= 0.107041 ETOT(band)= -0.116829 trlgG= -0.146206 logG= -0.028665 TDE= -0.170510 logGD-logG0= -0.005326 tlogG= -0.023914 logG= -0.029239 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022744 logG= -0.027793 Density= 0.107805 ETOT(band)= -0.116839 trlgG= -0.147216 logG= -0.029239 TDE= -0.171324 Density= 0.108300 ETOT(band)= -0.115782 trlgG= -0.144924 logG= -0.027793 TDE= -0.170723 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024102 logG= -0.029111 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023510 logG= -0.028258 Density= 0.107437 ETOT(band)= -0.116934 trlgG= -0.147054 logG= -0.029111 TDE= -0.171109 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023695 logG= -0.028419 Density= 0.107039 ETOT(band)= -0.116739 trlgG= -0.146399 logG= -0.028419 TDE= -0.170948 Density= 0.106839 ETOT(band)= -0.116708 trlgG= -0.145866 logG= -0.028258 TDE= -0.170477 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022886 logG= -0.028012 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023905 logG= -0.028819 Density= 0.106821 ETOT(band)= -0.117009 trlgG= -0.146819 logG= -0.028819 TDE= -0.170860 logGD-logG0= -0.005294 tlogG= -0.024082 logG= -0.029375 Density= 0.107674 ETOT(band)= -0.116200 trlgG= -0.145257 logG= -0.028012 TDE= -0.170527 logGD-logG0= -0.004896 tlogG= -0.024077 logG= -0.028974 Density= 0.107117 ETOT(band)= -0.116993 trlgG= -0.147076 logG= -0.028974 TDE= -0.171110 Density= 0.107697 ETOT(band)= -0.116972 trlgG= -0.147430 logG= -0.029375 TDE= -0.171348 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.024066 logG= -0.029348 Density= 0.107999 ETOT(band)= -0.116815 trlgG= -0.147408 logG= -0.029348 TDE= -0.171504 logGD-logG0= -0.005316 tlogG= -0.023208 logG= -0.028524 logGD-logG0= -0.004757 tlogG= -0.022861 logG= -0.027618 Density= 0.107359 ETOT(band)= -0.116137 trlgG= -0.144970 logG= -0.027618 TDE= -0.170478 Density= 0.107739 ETOT(band)= -0.116449 trlgG= -0.146066 logG= -0.028524 TDE= -0.170857 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004692 tlogG= -0.023679 logG= -0.028371 Density= 0.106665 ETOT(band)= -0.116853 trlgG= -0.146290 logG= -0.028371 TDE= -0.170702 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023588 logG= -0.028918 logGD-logG0= -0.009504 tlogG= -0.045780 logG= -0.055284 logGD-logG0= -0.009815 tlogG= -0.048262 logG= -0.058076 Density= 0.214521 ETOT(band)= -0.233947 trlgG= -0.294231 logG= -0.058076 TDE= -0.342310 Density= 0.107854 ETOT(band)= -0.116612 trlgG= -0.146696 logG= -0.028918 TDE= -0.171150 Density= 0.215138 ETOT(band)= -0.232112 trlgG= -0.289845 logG= -0.055284 TDE= -0.341022 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009681 tlogG= -0.047177 logG= -0.056858 logGD-logG0= -0.009135 tlogG= -0.047650 logG= -0.056785 Density= 0.213895 ETOT(band)= -0.233536 trlgG= -0.292649 logG= -0.056858 TDE= -0.341638 Density= 0.213063 ETOT(band)= -0.233827 trlgG= -0.292718 logG= -0.056785 TDE= -0.341367 logGD-logG0= -0.009960 tlogG= -0.047918 logG= -0.057878 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214093 ETOT(band)= -0.233982 trlgG= -0.293915 logG= -0.057878 TDE= -0.341981 logGD-logG0= -0.009561 tlogG= -0.047953 logG= -0.057514 Density= 0.213404 ETOT(band)= -0.234040 trlgG= -0.293359 logG= -0.057514 TDE= -0.341449 logGD-logG0= -0.010536 tlogG= -0.047767 logG= -0.058303 logGD-logG0= -0.009783 tlogG= -0.045609 logG= -0.055392 Density= 0.214873 ETOT(band)= -0.233875 trlgG= -0.294062 logG= -0.058303 TDE= -0.342089 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214490 ETOT(band)= -0.232457 trlgG= -0.290017 logG= -0.055392 TDE= -0.340765 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048102 logG= -0.058593 Density= 0.215184 ETOT(band)= -0.233931 trlgG= -0.294575 logG= -0.058593 TDE= -0.342466 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.047465 logG= -0.056920 Density= 0.214435 ETOT(band)= -0.233370 trlgG= -0.292785 logG= -0.056920 TDE= -0.341978 logGD-logG0= -0.010571 tlogG= -0.048037 logG= -0.058608 logGD-logG0= -0.010338 tlogG= -0.048002 logG= -0.058340 Density= 0.215186 ETOT(band)= -0.233786 trlgG= -0.294159 logG= -0.058340 TDE= -0.342304 Density= 0.215220 ETOT(band)= -0.233922 trlgG= -0.294602 logG= -0.058608 TDE= -0.342496 logGD-logG0= -0.010083 tlogG= -0.048048 logG= -0.058132 Density= 0.214650 ETOT(band)= -0.233895 trlgG= -0.293982 logG= -0.058132 TDE= -0.342070 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047544 logG= -0.058181 Density= 0.215808 ETOT(band)= -0.233383 trlgG= -0.293955 logG= -0.058181 TDE= -0.342566 logGD-logG0= -0.010562 tlogG= -0.047957 logG= -0.058519 Density= 0.216001 ETOT(band)= -0.233501 trlgG= -0.294518 logG= -0.058519 TDE= -0.342887 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.047807 logG= -0.058207 Density= 0.214773 ETOT(band)= -0.233868 trlgG= -0.293892 logG= -0.058207 TDE= -0.341965 logGD-logG0= -0.010197 tlogG= -0.047682 logG= -0.057878 logGD-logG0= -0.010683 tlogG= -0.048169 logG= -0.058852 Density= 0.214074 ETOT(band)= -0.233969 trlgG= -0.293667 logG= -0.057878 TDE= -0.341724 Density= 0.215533 ETOT(band)= -0.233950 trlgG= -0.295042 logG= -0.058852 TDE= -0.342846 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.047333 logG= -0.057755 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214384 ETOT(band)= -0.233765 trlgG= -0.293144 logG= -0.057755 TDE= -0.341477 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.046435 logG= -0.056633 Density= 0.215331 ETOT(band)= -0.232752 trlgG= -0.291468 logG= -0.056633 TDE= -0.341391 logGD-logG0= -0.010593 tlogG= -0.047446 logG= -0.058039 Density= 0.215578 ETOT(band)= -0.233422 trlgG= -0.293712 logG= -0.058039 TDE= -0.342352 logGD-logG0= -0.010617 tlogG= -0.047905 logG= -0.058522 logGD-logG0= -0.002472 tlogG= -0.010846 logG= -0.013318 Density= 0.054091 ETOT(band)= -0.057544 trlgG= -0.071504 logG= -0.013318 TDE= -0.084953 logGD-logG0= -0.009809 tlogG= -0.047244 logG= -0.057053 Density= 0.214598 ETOT(band)= -0.233334 trlgG= -0.292561 logG= -0.057053 TDE= -0.341702 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215874 ETOT(band)= -0.233572 trlgG= -0.294518 logG= -0.058522 TDE= -0.342822 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.047174 logG= -0.057284 Density= 0.215265 ETOT(band)= -0.233153 trlgG= -0.292483 logG= -0.057284 TDE= -0.341723 logGD-logG0= -0.010635 tlogG= -0.046904 logG= -0.057539 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215541 ETOT(band)= -0.233145 trlgG= -0.292912 logG= -0.057539 TDE= -0.342033 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.021886 logG= -0.026892 Density= 0.108377 ETOT(band)= -0.115155 trlgG= -0.143432 logG= -0.026892 TDE= -0.170170 logGD-logG0= -0.004920 tlogG= -0.021576 logG= -0.026496 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108566 ETOT(band)= -0.114790 trlgG= -0.142755 logG= -0.026496 TDE= -0.169982 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043411 logG= -0.053460 Density= 0.216388 ETOT(band)= -0.230289 trlgG= -0.286341 logG= -0.053460 TDE= -0.339961 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001190 tlogG= -0.005174 logG= -0.006365 Density= 0.062577 ETOT(band)= -0.067487 trlgG= -0.084163 logG= -0.006365 TDE= -0.042338 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.022916 logG= -0.027893 Density= 0.214919 ETOT(band)= -0.232209 trlgG= -0.289536 logG= -0.027893 TDE= -0.170342 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009167 Density= 0.071540 ETOT(band)= -0.077283 trlgG= -0.096103 logG= -0.009167 TDE= -0.056707 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006519 Density= 0.081596 ETOT(band)= -0.085623 trlgG= -0.106163 logG= -0.006519 TDE= -0.042440 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001698 tlogG= -0.007121 logG= -0.008818 Density= 0.072266 ETOT(band)= -0.076421 trlgG= -0.094797 logG= -0.008818 TDE= -0.056594 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007265 Density= 0.081099 ETOT(band)= -0.087482 trlgG= -0.110361 logG= -0.007265 TDE= -0.042873 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023965 logG= -0.029160 Density= 0.216490 ETOT(band)= -0.233056 trlgG= -0.293972 logG= -0.029160 TDE= -0.171477 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024166 logG= -0.029194 Density= 0.214857 ETOT(band)= -0.233974 trlgG= -0.294370 logG= -0.029194 TDE= -0.171146 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023770 logG= -0.028985 Density= 0.216381 ETOT(band)= -0.232857 trlgG= -0.293267 logG= -0.028985 TDE= -0.171336 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023905 logG= -0.029284 Density= 0.215753 ETOT(band)= -0.233574 trlgG= -0.294400 logG= -0.029284 TDE= -0.171341 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.022483 logG= -0.027411 Density= 0.215145 ETOT(band)= -0.231474 trlgG= -0.287894 logG= -0.027411 TDE= -0.170091 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007222 Density= 0.080872 ETOT(band)= -0.087578 trlgG= -0.110306 logG= -0.007222 TDE= -0.042843 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009616 tlogG= -0.047792 logG= -0.057408 Density= 0.427435 ETOT(band)= -0.467514 trlgG= -0.585502 logG= -0.057408 TDE= -0.341317 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.021218 logG= -0.026180 Density= 0.216457 ETOT(band)= -0.229860 trlgG= -0.285400 logG= -0.026180 TDE= -0.169714 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007134 logGD-logG0= -0.009952 tlogG= -0.046419 logG= -0.056372 Density= 0.429773 ETOT(band)= -0.465175 trlgG= -0.581214 logG= -0.056372 TDE= -0.341152 Density= 0.080691 ETOT(band)= -0.087541 trlgG= -0.110109 logG= -0.007134 TDE= -0.042789 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.021313 logG= -0.026235 Density= 0.162726 ETOT(band)= -0.172855 trlgG= -0.215815 logG= -0.026235 TDE= -0.169794 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021362 logG= -0.026366 Density= 0.217125 ETOT(band)= -0.229005 trlgG= -0.284150 logG= -0.026366 TDE= -0.169807 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005427 tlogG= -0.023691 logG= -0.029118 Density= 0.215518 ETOT(band)= -0.233425 trlgG= -0.293700 logG= -0.029118 TDE= -0.171163 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008973 tlogG= -0.048114 logG= -0.057087 Density= 0.425812 ETOT(band)= -0.467921 trlgG= -0.586127 logG= -0.057087 TDE= -0.341600 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009466 tlogG= -0.046733 logG= -0.056198 Density= 0.428152 ETOT(band)= -0.465731 trlgG= -0.581522 logG= -0.056198 TDE= -0.341038 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009662 tlogG= -0.047673 logG= -0.057335 Density= 0.426935 ETOT(band)= -0.467959 trlgG= -0.586643 logG= -0.057335 TDE= -0.341614 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070914 ETOT(band)= -0.077879 trlgG= -0.097396 logG= -0.009404 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009991 tlogG= -0.044644 logG= -0.054636 Density= 0.324452 ETOT(band)= -0.346405 trlgG= -0.431744 logG= -0.054636 TDE= -0.340601 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024140 logG= -0.028448 Density= 0.212317 ETOT(band)= -0.234158 trlgG= -0.293512 logG= -0.028448 TDE= -0.170887 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023595 logG= -0.028093 Density= 0.212761 ETOT(band)= -0.233782 trlgG= -0.292569 logG= -0.028093 TDE= -0.170605 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004442 tlogG= -0.023748 logG= -0.028191 Density= 0.213225 ETOT(band)= -0.233379 trlgG= -0.291598 logG= -0.028191 TDE= -0.170690 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042642 trlgG= -0.052775 logG= -0.008465 TDE= -0.056434 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004611 tlogG= -0.023900 logG= -0.028511 Density= 0.213416 ETOT(band)= -0.233656 trlgG= -0.292332 logG= -0.028511 TDE= -0.170695 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005750 logG= -0.007012 Density= 0.080680 ETOT(band)= -0.087325 trlgG= -0.109554 logG= -0.007012 TDE= -0.042724 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086898 trlgG= -0.108553 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009841 tlogG= -0.044645 logG= -0.054486 Density= 0.431838 ETOT(band)= -0.461716 trlgG= -0.574450 logG= -0.054486 TDE= -0.340237 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005272 tlogG= -0.023807 logG= -0.029079 Density= 0.215445 ETOT(band)= -0.233575 trlgG= -0.294019 logG= -0.029079 TDE= -0.171333 logGD-logG0= -0.005261 tlogG= -0.023495 logG= -0.028756 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024007 logG= -0.029210 Density= 0.216456 ETOT(band)= -0.233159 trlgG= -0.294203 logG= -0.029210 TDE= -0.171503 Density= 0.215329 ETOT(band)= -0.233139 trlgG= -0.292755 logG= -0.028756 TDE= -0.171076 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024009 logG= -0.029247 Density= 0.215793 ETOT(band)= -0.233671 trlgG= -0.294671 logG= -0.029247 TDE= -0.171486 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023856 logG= -0.028940 Density= 0.215605 ETOT(band)= -0.233572 trlgG= -0.294120 logG= -0.028940 TDE= -0.171020 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023966 logG= -0.029053 Density= 0.214461 ETOT(band)= -0.233899 trlgG= -0.293751 logG= -0.029053 TDE= -0.170973 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024129 logG= -0.029460 Density= 0.215825 ETOT(band)= -0.233827 trlgG= -0.295086 logG= -0.029460 TDE= -0.171517 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023982 logG= -0.028567 Density= 0.212946 ETOT(band)= -0.234062 trlgG= -0.293321 logG= -0.028567 TDE= -0.170743 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022450 logG= -0.027580 Density= 0.216478 ETOT(band)= -0.231106 trlgG= -0.288462 logG= -0.027580 TDE= -0.170478 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024015 logG= -0.028797 Density= 0.321747 ETOT(band)= -0.350814 trlgG= -0.441102 logG= -0.028797 TDE= -0.171135 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024172 logG= -0.029225 Density= 0.322612 ETOT(band)= -0.350934 trlgG= -0.441781 logG= -0.029225 TDE= -0.171142 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023424 logG= -0.028645 Density= 0.216303 ETOT(band)= -0.232477 trlgG= -0.292060 logG= -0.028645 TDE= -0.171097 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.022977 logG= -0.028170 Density= 0.216332 ETOT(band)= -0.231903 trlgG= -0.290445 logG= -0.028170 TDE= -0.170811 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.046625 logG= -0.056329 Density= 0.322882 ETOT(band)= -0.348730 trlgG= -0.436178 logG= -0.056329 TDE= -0.341432 logGD-logG0= -0.010433 tlogG= -0.047802 logG= -0.058236 logGD-logG0= -0.004923 tlogG= -0.023894 logG= -0.028817 Density= 0.213915 ETOT(band)= -0.233809 trlgG= -0.292839 logG= -0.028817 TDE= -0.170702 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022301 logG= -0.027262 Density= 0.214389 ETOT(band)= -0.232245 trlgG= -0.289284 logG= -0.027262 TDE= -0.170077 Density= 0.324504 ETOT(band)= -0.349643 trlgG= -0.440802 logG= -0.058236 TDE= -0.342847 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.045653 logG= -0.055850 Density= 0.324209 ETOT(band)= -0.347674 trlgG= -0.434750 logG= -0.055850 TDE= -0.341277 logGD-logG0= -0.010479 tlogG= -0.047252 logG= -0.057731 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324290 ETOT(band)= -0.349275 trlgG= -0.439453 logG= -0.057731 TDE= -0.342455 logGD-logG0= -0.010712 tlogG= -0.048060 logG= -0.058771 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323410 ETOT(band)= -0.350705 trlgG= -0.442131 logG= -0.058771 TDE= -0.342836 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024015 logG= -0.028765 Density= 0.214244 ETOT(band)= -0.233887 trlgG= -0.293969 logG= -0.028765 TDE= -0.171140 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.046433 logG= -0.056908 logGD-logG0= -0.004695 tlogG= -0.023377 logG= -0.028071 Density= 0.321820 ETOT(band)= -0.349766 trlgG= -0.438527 logG= -0.028071 TDE= -0.170811 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324158 ETOT(band)= -0.348617 trlgG= -0.437367 logG= -0.056908 TDE= -0.341899 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023964 logG= -0.029329 Density= 0.323820 ETOT(band)= -0.350382 trlgG= -0.441882 logG= -0.029329 TDE= -0.171389 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024095 logG= -0.029353 Density= 0.323226 ETOT(band)= -0.350911 trlgG= -0.442432 logG= -0.029353 TDE= -0.171330 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023845 logG= -0.028689 Density= 0.213702 ETOT(band)= -0.233945 trlgG= -0.293575 logG= -0.028689 TDE= -0.170957 logGD-logG0= -0.005040 tlogG= -0.023256 logG= -0.028295 logGD-logG0= -0.004663 tlogG= -0.023380 logG= -0.028042 Density= 0.321884 ETOT(band)= -0.350274 trlgG= -0.439377 logG= -0.028295 TDE= -0.170764 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214309 ETOT(band)= -0.233175 trlgG= -0.292177 logG= -0.028042 TDE= -0.170818 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023367 logG= -0.028810 Density= 0.215222 ETOT(band)= -0.233165 trlgG= -0.292559 logG= -0.028810 TDE= -0.170870 logGD-logG0= -0.005177 tlogG= -0.023207 logG= -0.028384 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009660 tlogG= -0.047857 logG= -0.057517 Density= 0.214987 ETOT(band)= -0.232763 trlgG= -0.291063 logG= -0.028384 TDE= -0.170526 Density= 0.428286 ETOT(band)= -0.467758 trlgG= -0.587523 logG= -0.057517 TDE= -0.342085 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.048167 logG= -0.058330 Density= 0.429535 ETOT(band)= -0.467881 trlgG= -0.588299 logG= -0.058330 TDE= -0.342133 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.048242 logG= -0.058537 logGD-logG0= -0.009524 tlogG= -0.046625 logG= -0.056150 Density= 0.428351 ETOT(band)= -0.466455 trlgG= -0.584131 logG= -0.056150 TDE= -0.341455 Density= 0.430263 ETOT(band)= -0.467890 trlgG= -0.589064 logG= -0.058537 TDE= -0.342339 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010784 tlogG= -0.047707 logG= -0.058492 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431309 ETOT(band)= -0.467097 trlgG= -0.588395 logG= -0.058492 TDE= -0.342590 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.047688 logG= -0.057959 Density= 0.428536 ETOT(band)= -0.467744 trlgG= -0.586856 logG= -0.057959 TDE= -0.341725 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047976 logG= -0.058307 logGD-logG0= -0.010505 tlogG= -0.048092 logG= -0.058597 Density= 0.430369 ETOT(band)= -0.467722 trlgG= -0.588738 logG= -0.058597 TDE= -0.342465 Density= 0.429439 ETOT(band)= -0.467842 trlgG= -0.587938 logG= -0.058307 TDE= -0.341967 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047872 logG= -0.057708 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429373 ETOT(band)= -0.467543 trlgG= -0.587509 logG= -0.057708 TDE= -0.342074 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047752 logG= -0.058425 Density= 0.430971 ETOT(band)= -0.467151 trlgG= -0.588032 logG= -0.058425 TDE= -0.342483 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047577 logG= -0.057594 Density= 0.428852 ETOT(band)= -0.467091 trlgG= -0.585902 logG= -0.057594 TDE= -0.341771 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022337 logG= -0.027185 Density= 0.323051 ETOT(band)= -0.347699 trlgG= -0.433789 logG= -0.027185 TDE= -0.170159 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005093 tlogG= -0.021891 logG= -0.026983 logGD-logG0= -0.010709 tlogG= -0.048032 logG= -0.058741 logGD-logG0= -0.010335 tlogG= -0.046951 logG= -0.057286 Density= 0.431546 ETOT(band)= -0.467380 trlgG= -0.589389 logG= -0.058741 TDE= -0.342854 Density= 0.430113 ETOT(band)= -0.466094 trlgG= -0.583904 logG= -0.057286 TDE= -0.341435 Density= 0.216734 ETOT(band)= -0.230109 trlgG= -0.286349 logG= -0.026983 TDE= -0.170138 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010259 tlogG= -0.047591 logG= -0.057850 Density= 0.430239 ETOT(band)= -0.466742 trlgG= -0.585833 logG= -0.057850 TDE= -0.341879 logGD-logG0= -0.004793 tlogG= -0.023253 logG= -0.028046 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213632 ETOT(band)= -0.233411 trlgG= -0.292058 logG= -0.028046 TDE= -0.170654 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047290 logG= -0.058023 Density= 0.430705 ETOT(band)= -0.466725 trlgG= -0.586560 logG= -0.058023 TDE= -0.342099 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081241 ETOT(band)= -0.086288 trlgG= -0.107319 logG= -0.006699 TDE= -0.042551 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004808 tlogG= -0.022337 logG= -0.027144 Density= 0.215150 ETOT(band)= -0.231763 trlgG= -0.288938 logG= -0.027144 TDE= -0.170165 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.554280218612 eV TrLogG= -407.135200644786 eV Ratio to renormalize= 0.999485343865 rho-rho_expected= 0.011328265122 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964481507153467 0.940052452550144 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002333 tlogG= -0.011888 logG= -0.014221 logGD-logG0= -0.002428 tlogG= -0.012087 logG= -0.014515 Density= 0.053593 ETOT(band)= -0.058351 trlgG= -0.073223 logG= -0.014221 TDE= -0.085522 Density= 0.053614 ETOT(band)= -0.058495 trlgG= -0.073586 logG= -0.014515 TDE= -0.085602 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004730 trlgG= -0.005850 logG= -0.001050 TDE= -0.007049 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012037 logG= -0.014647 Density= 0.053791 ETOT(band)= -0.058486 trlgG= -0.073643 logG= -0.014647 TDE= -0.085614 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035516 ETOT(band)= -0.038890 trlgG= -0.048578 logG= -0.009305 TDE= -0.056848 logGD-logG0= -0.001409 tlogG= -0.008047 logG= -0.009456 Density= 0.035338 ETOT(band)= -0.039039 trlgG= -0.048941 logG= -0.009456 TDE= -0.056971 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011453 logG= -0.013794 Density= 0.053767 ETOT(band)= -0.058022 trlgG= -0.072461 logG= -0.013794 TDE= -0.085274 logGD-logG0= -0.002568 tlogG= -0.011989 logG= -0.014557 Density= 0.054162 ETOT(band)= -0.058251 trlgG= -0.073510 logG= -0.014557 TDE= -0.085756 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005121 tlogG= -0.022993 logG= -0.028114 Density= 0.108188 ETOT(band)= -0.116019 trlgG= -0.145436 logG= -0.028114 TDE= -0.170858 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022469 logG= -0.027522 logGD-logG0= -0.005156 tlogG= -0.023959 logG= -0.029116 Density= 0.108256 ETOT(band)= -0.115646 trlgG= -0.144490 logG= -0.027522 TDE= -0.170539 Density= 0.108279 ETOT(band)= -0.116526 trlgG= -0.147024 logG= -0.029116 TDE= -0.171490 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023773 logG= -0.028942 logGD-logG0= -0.004846 tlogG= -0.023699 logG= -0.028544 logGD-logG0= -0.005164 tlogG= -0.023440 logG= -0.028604 Density= 0.108182 ETOT(band)= -0.116289 trlgG= -0.146210 logG= -0.028604 TDE= -0.171140 Density= 0.108228 ETOT(band)= -0.116451 trlgG= -0.146746 logG= -0.028942 TDE= -0.171361 Density= 0.107438 ETOT(band)= -0.116625 trlgG= -0.146315 logG= -0.028544 TDE= -0.170936 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004361 tlogG= -0.023983 logG= -0.028345 Density= 0.106241 ETOT(band)= -0.117013 trlgG= -0.146584 logG= -0.028345 TDE= -0.170813 logGD-logG0= -0.002637 tlogG= -0.011992 logG= -0.014629 logGD-logG0= -0.004970 tlogG= -0.022182 logG= -0.027152 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054009 ETOT(band)= -0.058371 trlgG= -0.073629 logG= -0.014629 TDE= -0.085727 Density= 0.108411 ETOT(band)= -0.115341 trlgG= -0.143884 logG= -0.027152 TDE= -0.170379 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024083 logG= -0.029376 logGD-logG0= -0.004557 tlogG= -0.024056 logG= -0.028613 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107698 ETOT(band)= -0.116973 trlgG= -0.147432 logG= -0.029376 TDE= -0.171350 Density= 0.106457 ETOT(band)= -0.117047 trlgG= -0.146710 logG= -0.028613 TDE= -0.170777 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004637 tlogG= -0.023215 logG= -0.027852 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023914 logG= -0.029240 Density= 0.107806 ETOT(band)= -0.116840 trlgG= -0.147218 logG= -0.029240 TDE= -0.171326 Density= 0.106804 ETOT(band)= -0.116519 trlgG= -0.145383 logG= -0.027852 TDE= -0.170382 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023881 logG= -0.029024 logGD-logG0= -0.005010 tlogG= -0.023656 logG= -0.028666 Density= 0.108299 ETOT(band)= -0.116462 trlgG= -0.146876 logG= -0.029024 TDE= -0.171443 logGD-logG0= -0.004724 tlogG= -0.022999 logG= -0.027723 Density= 0.106939 ETOT(band)= -0.116389 trlgG= -0.145120 logG= -0.027723 TDE= -0.170315 Density= 0.107041 ETOT(band)= -0.116830 trlgG= -0.146209 logG= -0.028666 TDE= -0.170512 logGD-logG0= -0.005146 tlogG= -0.023615 logG= -0.028761 Density= 0.108254 ETOT(band)= -0.116336 trlgG= -0.146455 logG= -0.028761 TDE= -0.171264 logGD-logG0= -0.005049 tlogG= -0.022745 logG= -0.027794 Density= 0.108301 ETOT(band)= -0.115783 trlgG= -0.144926 logG= -0.027794 TDE= -0.170725 logGD-logG0= -0.004880 tlogG= -0.022861 logG= -0.027741 Density= 0.107805 ETOT(band)= -0.115998 trlgG= -0.144850 logG= -0.027741 TDE= -0.170457 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023226 logG= -0.028341 Density= 0.108246 ETOT(band)= -0.116112 trlgG= -0.145792 logG= -0.028341 TDE= -0.171017 logGD-logG0= -0.005028 tlogG= -0.022419 logG= -0.027448 Density= 0.107694 ETOT(band)= -0.115868 trlgG= -0.144364 logG= -0.027448 TDE= -0.170209 logGD-logG0= -0.005307 tlogG= -0.024095 logG= -0.029402 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.023977 logG= -0.029222 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022887 logG= -0.028013 Density= 0.107501 ETOT(band)= -0.116958 trlgG= -0.147157 logG= -0.029222 TDE= -0.171132 Density= 0.107674 ETOT(band)= -0.116202 trlgG= -0.145259 logG= -0.028013 TDE= -0.170529 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.024141 logG= -0.029480 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023694 logG= -0.028996 Density= 0.107291 ETOT(band)= -0.116904 trlgG= -0.146761 logG= -0.028996 TDE= -0.170858 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107940 ETOT(band)= -0.116883 trlgG= -0.147498 logG= -0.029402 TDE= -0.171511 Density= 0.107864 ETOT(band)= -0.116970 trlgG= -0.147623 logG= -0.029480 TDE= -0.171519 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024103 logG= -0.029112 logGD-logG0= -0.004692 tlogG= -0.023679 logG= -0.028372 Density= 0.106665 ETOT(band)= -0.116855 trlgG= -0.146293 logG= -0.028372 TDE= -0.170704 Density= 0.107437 ETOT(band)= -0.116936 trlgG= -0.147057 logG= -0.029112 TDE= -0.171111 logGD-logG0= -0.004896 tlogG= -0.024078 logG= -0.028974 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023511 logG= -0.028258 Density= 0.106839 ETOT(band)= -0.116710 trlgG= -0.145868 logG= -0.028258 TDE= -0.170479 logGD-logG0= -0.004724 tlogG= -0.023696 logG= -0.028420 Density= 0.107039 ETOT(band)= -0.116741 trlgG= -0.146401 logG= -0.028420 TDE= -0.170950 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107118 ETOT(band)= -0.116995 trlgG= -0.147079 logG= -0.028974 TDE= -0.171112 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005316 tlogG= -0.023209 logG= -0.028525 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107739 ETOT(band)= -0.116451 trlgG= -0.146069 logG= -0.028525 TDE= -0.170859 logGD-logG0= -0.004334 tlogG= -0.024060 logG= -0.028395 logGD-logG0= -0.005293 tlogG= -0.023879 logG= -0.029172 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023905 logG= -0.028820 Density= 0.107968 ETOT(band)= -0.116710 trlgG= -0.147115 logG= -0.029172 TDE= -0.171371 logGD-logG0= -0.004757 tlogG= -0.022862 logG= -0.027619 Density= 0.107359 ETOT(band)= -0.116139 trlgG= -0.144972 logG= -0.027619 TDE= -0.170480 Density= 0.106821 ETOT(band)= -0.117011 trlgG= -0.146821 logG= -0.028820 TDE= -0.170862 Density= 0.106190 ETOT(band)= -0.117056 trlgG= -0.146697 logG= -0.028395 TDE= -0.170850 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009814 tlogG= -0.048263 logG= -0.058078 Density= 0.214522 ETOT(band)= -0.233950 trlgG= -0.294236 logG= -0.058078 TDE= -0.342314 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023588 logG= -0.028919 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107854 ETOT(band)= -0.116613 trlgG= -0.146699 logG= -0.028919 TDE= -0.171152 logGD-logG0= -0.005282 tlogG= -0.024067 logG= -0.029349 Density= 0.107999 ETOT(band)= -0.116816 trlgG= -0.147411 logG= -0.029349 TDE= -0.171506 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009504 tlogG= -0.045781 logG= -0.055285 Density= 0.215139 ETOT(band)= -0.232115 trlgG= -0.289850 logG= -0.055285 TDE= -0.341026 logGD-logG0= -0.009681 tlogG= -0.047178 logG= -0.056859 logGD-logG0= -0.010536 tlogG= -0.047769 logG= -0.058304 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214874 ETOT(band)= -0.233878 trlgG= -0.294067 logG= -0.058304 TDE= -0.342093 Density= 0.213896 ETOT(band)= -0.233539 trlgG= -0.292654 logG= -0.056859 TDE= -0.341641 logGD-logG0= -0.009135 tlogG= -0.047652 logG= -0.056786 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213063 ETOT(band)= -0.233830 trlgG= -0.292723 logG= -0.056786 TDE= -0.341371 logGD-logG0= -0.009960 tlogG= -0.047919 logG= -0.057879 Density= 0.214094 ETOT(band)= -0.233985 trlgG= -0.293920 logG= -0.057879 TDE= -0.341985 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.047955 logG= -0.057515 logGD-logG0= -0.009454 tlogG= -0.047467 logG= -0.056921 Density= 0.214435 ETOT(band)= -0.233374 trlgG= -0.292789 logG= -0.056921 TDE= -0.341982 Density= 0.213405 ETOT(band)= -0.234043 trlgG= -0.293364 logG= -0.057515 TDE= -0.341452 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047179 logG= -0.057015 Density= 0.213907 ETOT(band)= -0.233583 trlgG= -0.292447 logG= -0.057015 TDE= -0.341284 logGD-logG0= -0.010338 tlogG= -0.048003 logG= -0.058341 logGD-logG0= -0.010491 tlogG= -0.048104 logG= -0.058594 Density= 0.215187 ETOT(band)= -0.233789 trlgG= -0.294164 logG= -0.058341 TDE= -0.342308 Density= 0.215185 ETOT(band)= -0.233934 trlgG= -0.294580 logG= -0.058594 TDE= -0.342470 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.048038 logG= -0.058609 logGD-logG0= -0.001696 tlogG= -0.007308 logG= -0.009004 Density= 0.035864 ETOT(band)= -0.038544 trlgG= -0.047883 logG= -0.009004 TDE= -0.056627 Density= 0.215221 ETOT(band)= -0.233925 trlgG= -0.294607 logG= -0.058609 TDE= -0.342500 logGD-logG0= -0.010400 tlogG= -0.047809 logG= -0.058208 Density= 0.214774 ETOT(band)= -0.233871 trlgG= -0.293896 logG= -0.058208 TDE= -0.341969 logGD-logG0= -0.010197 tlogG= -0.047683 logG= -0.057880 Density= 0.214075 ETOT(band)= -0.233972 trlgG= -0.293672 logG= -0.057880 TDE= -0.341727 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047959 logG= -0.058521 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047546 logG= -0.058182 Density= 0.215809 ETOT(band)= -0.233386 trlgG= -0.293959 logG= -0.058182 TDE= -0.342570 Density= 0.216002 ETOT(band)= -0.233504 trlgG= -0.294523 logG= -0.058521 TDE= -0.342891 logGD-logG0= -0.010083 tlogG= -0.048050 logG= -0.058133 logGD-logG0= -0.010422 tlogG= -0.047335 logG= -0.057757 logGD-logG0= -0.002472 tlogG= -0.010846 logG= -0.013318 logGD-logG0= -0.009887 tlogG= -0.045672 logG= -0.055559 logGD-logG0= -0.002411 tlogG= -0.010433 logG= -0.012844 Density= 0.054403 ETOT(band)= -0.057030 trlgG= -0.070662 logG= -0.012844 TDE= -0.084739 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214651 ETOT(band)= -0.233899 trlgG= -0.293987 logG= -0.058133 TDE= -0.342074 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008626 Density= 0.036213 ETOT(band)= -0.038098 trlgG= -0.047226 logG= -0.008626 TDE= -0.056520 Density= 0.054091 ETOT(band)= -0.057545 trlgG= -0.071505 logG= -0.013318 TDE= -0.084954 Density= 0.215269 ETOT(band)= -0.232192 trlgG= -0.289843 logG= -0.055559 TDE= -0.340810 Density= 0.214384 ETOT(band)= -0.233768 trlgG= -0.293149 logG= -0.057757 TDE= -0.341481 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.046437 logG= -0.056634 Density= 0.215332 ETOT(band)= -0.232755 trlgG= -0.291473 logG= -0.056634 TDE= -0.341395 logGD-logG0= -0.010592 tlogG= -0.047448 logG= -0.058040 logGD-logG0= -0.010683 tlogG= -0.048170 logG= -0.058853 Density= 0.215578 ETOT(band)= -0.233425 trlgG= -0.293717 logG= -0.058040 TDE= -0.342356 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215534 ETOT(band)= -0.233953 trlgG= -0.295046 logG= -0.058853 TDE= -0.342850 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047245 logG= -0.057054 Density= 0.214599 ETOT(band)= -0.233337 trlgG= -0.292565 logG= -0.057054 TDE= -0.341706 logGD-logG0= -0.010616 tlogG= -0.047907 logG= -0.058523 Density= 0.215875 ETOT(band)= -0.233575 trlgG= -0.294523 logG= -0.058523 TDE= -0.342826 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.046905 logG= -0.057540 Density= 0.215542 ETOT(band)= -0.233148 trlgG= -0.292917 logG= -0.057540 TDE= -0.342037 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.045610 logG= -0.055393 Density= 0.214490 ETOT(band)= -0.232460 trlgG= -0.290022 logG= -0.055393 TDE= -0.340769 logGD-logG0= -0.010109 tlogG= -0.047176 logG= -0.057285 Density= 0.215266 ETOT(band)= -0.233156 trlgG= -0.292488 logG= -0.057285 TDE= -0.341727 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.021887 logG= -0.026893 Density= 0.108377 ETOT(band)= -0.115156 trlgG= -0.143435 logG= -0.026893 TDE= -0.170172 logGD-logG0= -0.004920 tlogG= -0.021577 logG= -0.026497 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108566 ETOT(band)= -0.114791 trlgG= -0.142757 logG= -0.026497 TDE= -0.169984 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004840 tlogG= -0.021002 logG= -0.025842 Density= 0.108760 ETOT(band)= -0.114205 trlgG= -0.141603 logG= -0.025842 TDE= -0.169581 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005027 tlogG= -0.021705 logG= -0.026733 Density= 0.107989 ETOT(band)= -0.115250 trlgG= -0.143183 logG= -0.026733 TDE= -0.169889 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.043412 logG= -0.053461 Density= 0.216389 ETOT(band)= -0.230292 trlgG= -0.286346 logG= -0.053461 TDE= -0.339965 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.021829 logG= -0.026915 Density= 0.107848 ETOT(band)= -0.115441 trlgG= -0.143491 logG= -0.026915 TDE= -0.169945 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005751 logG= -0.007012 Density= 0.080680 ETOT(band)= -0.087327 trlgG= -0.109556 logG= -0.007012 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080881 ETOT(band)= -0.086900 trlgG= -0.108555 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007222 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007134 Density= 0.080691 ETOT(band)= -0.087542 trlgG= -0.110111 logG= -0.007134 TDE= -0.042790 logGD-logG0= -0.005130 tlogG= -0.022451 logG= -0.027581 Density= 0.216479 ETOT(band)= -0.231109 trlgG= -0.288467 logG= -0.027581 TDE= -0.170479 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080873 ETOT(band)= -0.087579 trlgG= -0.110308 logG= -0.007222 TDE= -0.042844 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023895 logG= -0.028818 Density= 0.213916 ETOT(band)= -0.233812 trlgG= -0.292843 logG= -0.028818 TDE= -0.170704 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023425 logG= -0.028645 Density= 0.216303 ETOT(band)= -0.232480 trlgG= -0.292064 logG= -0.028645 TDE= -0.171099 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023254 logG= -0.028047 Density= 0.213632 ETOT(band)= -0.233414 trlgG= -0.292063 logG= -0.028047 TDE= -0.170656 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 logGD-logG0= -0.005177 tlogG= -0.023207 logG= -0.028385 Density= 0.081100 ETOT(band)= -0.087484 trlgG= -0.110363 logG= -0.007266 TDE= -0.042874 Density= 0.214988 ETOT(band)= -0.232767 trlgG= -0.291068 logG= -0.028385 TDE= -0.170528 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024010 logG= -0.029248 logGD-logG0= -0.005261 tlogG= -0.023495 logG= -0.028756 Density= 0.215329 ETOT(band)= -0.233142 trlgG= -0.292760 logG= -0.028756 TDE= -0.171078 Density= 0.215794 ETOT(band)= -0.233675 trlgG= -0.294676 logG= -0.029248 TDE= -0.171488 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070915 ETOT(band)= -0.077880 trlgG= -0.097397 logG= -0.009404 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023808 logG= -0.029080 logGD-logG0= -0.005202 tlogG= -0.024008 logG= -0.029210 Density= 0.216457 ETOT(band)= -0.233162 trlgG= -0.294208 logG= -0.029210 TDE= -0.171505 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215446 ETOT(band)= -0.233578 trlgG= -0.294023 logG= -0.029080 TDE= -0.171335 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024015 logG= -0.028798 Density= 0.321748 ETOT(band)= -0.350818 trlgG= -0.441110 logG= -0.028798 TDE= -0.171137 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023966 logG= -0.029054 logGD-logG0= -0.005192 tlogG= -0.022978 logG= -0.028171 Density= 0.216333 ETOT(band)= -0.231906 trlgG= -0.290450 logG= -0.028171 TDE= -0.170813 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214461 ETOT(band)= -0.233902 trlgG= -0.293756 logG= -0.029054 TDE= -0.170975 logGD-logG0= -0.004585 tlogG= -0.023983 logG= -0.028568 Density= 0.212947 ETOT(band)= -0.234065 trlgG= -0.293326 logG= -0.028568 TDE= -0.170745 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.022337 logG= -0.027145 Density= 0.215151 ETOT(band)= -0.231766 trlgG= -0.288943 logG= -0.027145 TDE= -0.170166 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004694 tlogG= -0.023377 logG= -0.028072 logGD-logG0= -0.005084 tlogG= -0.023856 logG= -0.028941 Density= 0.321822 ETOT(band)= -0.349771 trlgG= -0.438534 logG= -0.028072 TDE= -0.170812 Density= 0.215606 ETOT(band)= -0.233575 trlgG= -0.294124 logG= -0.028941 TDE= -0.171022 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024016 logG= -0.028766 Density= 0.214245 ETOT(band)= -0.233890 trlgG= -0.293974 logG= -0.028766 TDE= -0.171142 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023596 logG= -0.028094 Density= 0.212761 ETOT(band)= -0.233785 trlgG= -0.292573 logG= -0.028094 TDE= -0.170607 logGD-logG0= -0.004442 tlogG= -0.023749 logG= -0.028191 Density= 0.213226 ETOT(band)= -0.233382 trlgG= -0.291602 logG= -0.028191 TDE= -0.170692 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024172 logG= -0.029226 logGD-logG0= -0.005195 tlogG= -0.023965 logG= -0.029160 Density= 0.322613 ETOT(band)= -0.350939 trlgG= -0.441788 logG= -0.029226 TDE= -0.171143 Density= 0.216491 ETOT(band)= -0.233059 trlgG= -0.293976 logG= -0.029160 TDE= -0.171479 logGD-logG0= -0.010197 tlogG= -0.045655 logG= -0.055852 Density= 0.324210 ETOT(band)= -0.347678 trlgG= -0.434757 logG= -0.055852 TDE= -0.341281 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010711 tlogG= -0.048061 logG= -0.058773 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062578 ETOT(band)= -0.067488 trlgG= -0.084164 logG= -0.006365 TDE= -0.042338 Density= 0.323412 ETOT(band)= -0.350709 trlgG= -0.442139 logG= -0.058773 TDE= -0.342840 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005443 tlogG= -0.023368 logG= -0.028811 Density= 0.215222 ETOT(band)= -0.233168 trlgG= -0.292563 logG= -0.028811 TDE= -0.170872 logGD-logG0= -0.005028 tlogG= -0.024167 logG= -0.029195 logGD-logG0= -0.005258 tlogG= -0.024096 logG= -0.029353 logGD-logG0= -0.005215 tlogG= -0.023771 logG= -0.028986 Density= 0.216382 ETOT(band)= -0.232860 trlgG= -0.293271 logG= -0.028986 TDE= -0.171338 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323228 ETOT(band)= -0.350916 trlgG= -0.442439 logG= -0.029353 TDE= -0.171332 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010433 tlogG= -0.047804 logG= -0.058237 Density= 0.214858 ETOT(band)= -0.233977 trlgG= -0.294375 logG= -0.029195 TDE= -0.171148 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004663 tlogG= -0.023380 logG= -0.028043 Density= 0.214310 ETOT(band)= -0.233178 trlgG= -0.292182 logG= -0.028043 TDE= -0.170820 Density= 0.324506 ETOT(band)= -0.349648 trlgG= -0.440809 logG= -0.058237 TDE= -0.342851 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024130 logG= -0.029461 logGD-logG0= -0.005364 tlogG= -0.023965 logG= -0.029329 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023906 logG= -0.029285 Density= 0.215826 ETOT(band)= -0.233830 trlgG= -0.295091 logG= -0.029461 TDE= -0.171519 Density= 0.323822 ETOT(band)= -0.350386 trlgG= -0.441889 logG= -0.029329 TDE= -0.171391 Density= 0.215754 ETOT(band)= -0.233577 trlgG= -0.294405 logG= -0.029285 TDE= -0.171343 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.046435 logG= -0.056909 Density= 0.324159 ETOT(band)= -0.348622 trlgG= -0.437375 logG= -0.056909 TDE= -0.341903 logGD-logG0= -0.005040 tlogG= -0.023256 logG= -0.028296 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321885 ETOT(band)= -0.350279 trlgG= -0.439384 logG= -0.028296 TDE= -0.170766 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023900 logG= -0.028511 Density= 0.213416 ETOT(band)= -0.233660 trlgG= -0.292336 logG= -0.028511 TDE= -0.170696 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010478 tlogG= -0.047254 logG= -0.057732 Density= 0.324291 ETOT(band)= -0.349279 trlgG= -0.439460 logG= -0.057732 TDE= -0.342459 logGD-logG0= -0.009704 tlogG= -0.046626 logG= -0.056330 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322883 ETOT(band)= -0.348735 trlgG= -0.436185 logG= -0.056330 TDE= -0.341436 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008465 Density= 0.040866 ETOT(band)= -0.042643 trlgG= -0.052776 logG= -0.008465 TDE= -0.056435 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.022916 logG= -0.027893 Density= 0.214920 ETOT(band)= -0.232212 trlgG= -0.289541 logG= -0.027893 TDE= -0.170344 logGD-logG0= -0.005427 tlogG= -0.023692 logG= -0.029119 Density= 0.215519 ETOT(band)= -0.233428 trlgG= -0.293705 logG= -0.029119 TDE= -0.171165 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023845 logG= -0.028690 Density= 0.213703 ETOT(band)= -0.233948 trlgG= -0.293580 logG= -0.028690 TDE= -0.170959 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009167 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.048168 logG= -0.058331 Density= 0.071540 ETOT(band)= -0.077284 trlgG= -0.096105 logG= -0.009167 TDE= -0.056708 Density= 0.429537 ETOT(band)= -0.467887 trlgG= -0.588309 logG= -0.058331 TDE= -0.342136 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009660 tlogG= -0.047858 logG= -0.057518 Density= 0.428288 ETOT(band)= -0.467764 trlgG= -0.587533 logG= -0.057518 TDE= -0.342088 logGD-logG0= -0.004921 tlogG= -0.021314 logG= -0.026235 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162726 ETOT(band)= -0.172857 trlgG= -0.215819 logG= -0.026235 TDE= -0.169796 logGD-logG0= -0.008973 tlogG= -0.048116 logG= -0.057088 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.425813 ETOT(band)= -0.467928 trlgG= -0.586136 logG= -0.057088 TDE= -0.341604 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.048243 logG= -0.058539 logGD-logG0= -0.010505 tlogG= -0.048094 logG= -0.058599 Density= 0.430371 ETOT(band)= -0.467728 trlgG= -0.588748 logG= -0.058599 TDE= -0.342469 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010271 tlogG= -0.047690 logG= -0.057961 logGD-logG0= -0.010331 tlogG= -0.047977 logG= -0.058309 Density= 0.429441 ETOT(band)= -0.467848 trlgG= -0.587948 logG= -0.058309 TDE= -0.341971 logGD-logG0= -0.009524 tlogG= -0.046627 logG= -0.056151 Density= 0.428352 ETOT(band)= -0.466461 trlgG= -0.584140 logG= -0.056151 TDE= -0.341459 Density= 0.428538 ETOT(band)= -0.467751 trlgG= -0.586865 logG= -0.057961 TDE= -0.341729 Density= 0.430265 ETOT(band)= -0.467897 trlgG= -0.589074 logG= -0.058539 TDE= -0.342343 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010784 tlogG= -0.047709 logG= -0.058493 Density= 0.431311 ETOT(band)= -0.467103 trlgG= -0.588405 logG= -0.058493 TDE= -0.342594 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081241 ETOT(band)= -0.086289 trlgG= -0.107320 logG= -0.006699 TDE= -0.042551 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010673 tlogG= -0.047754 logG= -0.058426 Density= 0.430973 ETOT(band)= -0.467157 trlgG= -0.588042 logG= -0.058426 TDE= -0.342487 logGD-logG0= -0.009662 tlogG= -0.047674 logG= -0.057337 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426937 ETOT(band)= -0.467965 trlgG= -0.586653 logG= -0.057337 TDE= -0.341618 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009616 tlogG= -0.047793 logG= -0.057409 logGD-logG0= -0.009836 tlogG= -0.047874 logG= -0.057710 Density= 0.429375 ETOT(band)= -0.467549 trlgG= -0.587518 logG= -0.057710 TDE= -0.342078 Density= 0.427437 ETOT(band)= -0.467520 trlgG= -0.585512 logG= -0.057409 TDE= -0.341321 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.046953 logG= -0.057287 Density= 0.430115 ETOT(band)= -0.466100 trlgG= -0.583914 logG= -0.057287 TDE= -0.341439 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047579 logG= -0.057595 Density= 0.428854 ETOT(band)= -0.467097 trlgG= -0.585911 logG= -0.057595 TDE= -0.341775 logGD-logG0= -0.009952 tlogG= -0.046421 logG= -0.056373 Density= 0.429775 ETOT(band)= -0.465181 trlgG= -0.581224 logG= -0.056373 TDE= -0.341156 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010708 tlogG= -0.048034 logG= -0.058743 Density= 0.431548 ETOT(band)= -0.467386 trlgG= -0.589398 logG= -0.058743 TDE= -0.342858 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022338 logG= -0.027186 Density= 0.323052 ETOT(band)= -0.347704 trlgG= -0.433796 logG= -0.027186 TDE= -0.170161 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010732 tlogG= -0.047292 logG= -0.058025 Density= 0.430707 ETOT(band)= -0.466731 trlgG= -0.586570 logG= -0.058025 TDE= -0.342103 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047592 logG= -0.057851 Density= 0.430241 ETOT(band)= -0.466748 trlgG= -0.585842 logG= -0.057851 TDE= -0.341883 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006519 Density= 0.081596 ETOT(band)= -0.085624 trlgG= -0.106165 logG= -0.006519 TDE= -0.042440 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009466 tlogG= -0.046734 logG= -0.056200 Density= 0.428154 ETOT(band)= -0.465738 trlgG= -0.581532 logG= -0.056200 TDE= -0.341042 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024140 logG= -0.028448 logGD-logG0= -0.009991 tlogG= -0.044646 logG= -0.054637 Density= 0.324454 ETOT(band)= -0.346410 trlgG= -0.431751 logG= -0.054637 TDE= -0.340605 Density= 0.212318 ETOT(band)= -0.234161 trlgG= -0.293517 logG= -0.028448 TDE= -0.170889 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022302 logG= -0.027262 Density= 0.214390 ETOT(band)= -0.232248 trlgG= -0.289289 logG= -0.027262 TDE= -0.170079 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001698 tlogG= -0.007121 logG= -0.008818 Density= 0.072266 ETOT(band)= -0.076422 trlgG= -0.094798 logG= -0.008818 TDE= -0.056594 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005093 tlogG= -0.021891 logG= -0.026984 Density= 0.216735 ETOT(band)= -0.230112 trlgG= -0.286354 logG= -0.026984 TDE= -0.170140 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021363 logG= -0.026367 Density= 0.217126 ETOT(band)= -0.229008 trlgG= -0.284154 logG= -0.026367 TDE= -0.169809 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.022483 logG= -0.027412 Density= 0.215146 ETOT(band)= -0.231477 trlgG= -0.287899 logG= -0.027412 TDE= -0.170092 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009841 tlogG= -0.044646 logG= -0.054487 Density= 0.431839 ETOT(band)= -0.461722 trlgG= -0.574459 logG= -0.054487 TDE= -0.340241 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.021218 logG= -0.026181 Density= 0.216457 ETOT(band)= -0.229863 trlgG= -0.285405 logG= -0.026181 TDE= -0.169716 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.558619122543 eV TrLogG= -407.142469382453 eV Ratio to renormalize= 0.999481348139 rho-rho_expected= 0.011416262009 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964442785077684 0.939972615253643 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002611 tlogG= -0.012037 logG= -0.014648 Density= 0.053788 ETOT(band)= -0.058482 trlgG= -0.073639 logG= -0.014648 TDE= -0.085608 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023880 logG= -0.029027 Density= 0.108293 ETOT(band)= -0.116456 trlgG= -0.146869 logG= -0.029027 TDE= -0.171432 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023614 logG= -0.028763 Density= 0.108249 ETOT(band)= -0.116329 trlgG= -0.146448 logG= -0.028763 TDE= -0.171252 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008047 logG= -0.009457 logGD-logG0= -0.005296 tlogG= -0.023877 logG= -0.029174 Density= 0.107963 ETOT(band)= -0.116703 trlgG= -0.147107 logG= -0.029174 TDE= -0.171359 Density= 0.035337 ETOT(band)= -0.039036 trlgG= -0.048937 logG= -0.009457 TDE= -0.056967 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009137 tlogG= -0.047651 logG= -0.056788 Density= 0.213057 ETOT(band)= -0.233813 trlgG= -0.292703 logG= -0.056788 TDE= -0.341346 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009838 tlogG= -0.047180 logG= -0.057018 Density= 0.213899 ETOT(band)= -0.233567 trlgG= -0.292429 logG= -0.057018 TDE= -0.341259 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004363 tlogG= -0.023983 logG= -0.028346 Density= 0.106238 ETOT(band)= -0.117003 trlgG= -0.146574 logG= -0.028346 TDE= -0.170800 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004639 tlogG= -0.023214 logG= -0.027853 Density= 0.106800 ETOT(band)= -0.116510 trlgG= -0.145373 logG= -0.027853 TDE= -0.170370 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.022999 logG= -0.027725 Density= 0.106935 ETOT(band)= -0.116380 trlgG= -0.145111 logG= -0.027725 TDE= -0.170303 logGD-logG0= -0.004336 tlogG= -0.024059 logG= -0.028395 Density= 0.106187 ETOT(band)= -0.117046 trlgG= -0.146687 logG= -0.028395 TDE= -0.170838 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.021887 logG= -0.026895 Density= 0.108372 ETOT(band)= -0.115149 trlgG= -0.143428 logG= -0.026895 TDE= -0.170161 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001697 tlogG= -0.007308 logG= -0.009004 logGD-logG0= -0.001631 tlogG= -0.006996 logG= -0.008626 Density= 0.036212 ETOT(band)= -0.038096 trlgG= -0.047224 logG= -0.008626 TDE= -0.056517 Density= 0.035863 ETOT(band)= -0.038541 trlgG= -0.047881 logG= -0.009004 TDE= -0.056623 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010054 tlogG= -0.043411 logG= -0.053465 Density= 0.216380 ETOT(band)= -0.230278 trlgG= -0.286332 logG= -0.053465 TDE= -0.339943 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005089 tlogG= -0.021828 logG= -0.026916 Density= 0.107843 ETOT(band)= -0.115434 trlgG= -0.143484 logG= -0.026916 TDE= -0.169934 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004545 ETOT(band)= -0.004729 trlgG= -0.005849 logG= -0.001050 TDE= -0.007049 logGD-logG0= -0.002334 tlogG= -0.011888 logG= -0.014222 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053591 ETOT(band)= -0.058347 trlgG= -0.073219 logG= -0.014222 TDE= -0.085516 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002342 tlogG= -0.011452 logG= -0.013794 logGD-logG0= -0.002429 tlogG= -0.012086 logG= -0.014515 Density= 0.053765 ETOT(band)= -0.058018 trlgG= -0.072456 logG= -0.013794 TDE= -0.085268 Density= 0.053612 ETOT(band)= -0.058491 trlgG= -0.073581 logG= -0.014515 TDE= -0.085596 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035514 ETOT(band)= -0.038887 trlgG= -0.048574 logG= -0.009305 TDE= -0.056844 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002570 tlogG= -0.011988 logG= -0.014558 Density= 0.054159 ETOT(band)= -0.058248 trlgG= -0.073507 logG= -0.014558 TDE= -0.085750 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.024083 logG= -0.029378 Density= 0.107693 ETOT(band)= -0.116966 trlgG= -0.147424 logG= -0.029378 TDE= -0.171338 logGD-logG0= -0.005172 tlogG= -0.023772 logG= -0.028944 Density= 0.108223 ETOT(band)= -0.116445 trlgG= -0.146739 logG= -0.028944 TDE= -0.171349 logGD-logG0= -0.005124 tlogG= -0.022992 logG= -0.028116 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023439 logG= -0.028606 Density= 0.108177 ETOT(band)= -0.116282 trlgG= -0.146203 logG= -0.028606 TDE= -0.171129 logGD-logG0= -0.005055 tlogG= -0.022468 logG= -0.027523 Density= 0.108183 ETOT(band)= -0.116012 trlgG= -0.145429 logG= -0.028116 TDE= -0.170847 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108252 ETOT(band)= -0.115639 trlgG= -0.144483 logG= -0.027523 TDE= -0.170528 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004973 tlogG= -0.022181 logG= -0.027154 logGD-logG0= -0.004882 tlogG= -0.022860 logG= -0.027742 Density= 0.107801 ETOT(band)= -0.115991 trlgG= -0.144842 logG= -0.027742 TDE= -0.170445 Density= 0.108407 ETOT(band)= -0.115334 trlgG= -0.143877 logG= -0.027154 TDE= -0.170368 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005160 tlogG= -0.023958 logG= -0.029118 logGD-logG0= -0.004558 tlogG= -0.024056 logG= -0.028614 logGD-logG0= -0.002639 tlogG= -0.011991 logG= -0.014630 Density= 0.108273 ETOT(band)= -0.116520 trlgG= -0.147018 logG= -0.029118 TDE= -0.171479 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106454 ETOT(band)= -0.117038 trlgG= -0.146700 logG= -0.028614 TDE= -0.170765 Density= 0.054006 ETOT(band)= -0.058367 trlgG= -0.073626 logG= -0.014630 TDE= -0.085721 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.024103 logG= -0.029113 Density= 0.107433 ETOT(band)= -0.116928 trlgG= -0.147049 logG= -0.029113 TDE= -0.171099 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005343 tlogG= -0.024140 logG= -0.029482 Density= 0.107859 ETOT(band)= -0.116963 trlgG= -0.147615 logG= -0.029482 TDE= -0.171507 logGD-logG0= -0.005117 tlogG= -0.023225 logG= -0.028343 logGD-logG0= -0.005011 tlogG= -0.023656 logG= -0.028667 Density= 0.107037 ETOT(band)= -0.116822 trlgG= -0.146200 logG= -0.028667 TDE= -0.170500 logGD-logG0= -0.005310 tlogG= -0.024094 logG= -0.029404 logGD-logG0= -0.005247 tlogG= -0.023977 logG= -0.029224 Density= 0.108240 ETOT(band)= -0.116106 trlgG= -0.145785 logG= -0.028343 TDE= -0.171005 Density= 0.107496 ETOT(band)= -0.116951 trlgG= -0.147149 logG= -0.029224 TDE= -0.171120 Density= 0.107935 ETOT(band)= -0.116876 trlgG= -0.147491 logG= -0.029404 TDE= -0.171499 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023694 logG= -0.028997 Density= 0.107286 ETOT(band)= -0.116896 trlgG= -0.146752 logG= -0.028997 TDE= -0.170845 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.023698 logG= -0.028546 logGD-logG0= -0.005328 tlogG= -0.023914 logG= -0.029242 Density= 0.107801 ETOT(band)= -0.116833 trlgG= -0.147211 logG= -0.029242 TDE= -0.171314 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107433 ETOT(band)= -0.116618 trlgG= -0.146307 logG= -0.028546 TDE= -0.170925 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.022419 logG= -0.027449 Density= 0.107690 ETOT(band)= -0.115861 trlgG= -0.144356 logG= -0.027449 TDE= -0.170197 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023906 logG= -0.028821 logGD-logG0= -0.004726 tlogG= -0.023695 logG= -0.028421 Density= 0.107035 ETOT(band)= -0.116733 trlgG= -0.146393 logG= -0.028421 TDE= -0.170938 Density= 0.106818 ETOT(band)= -0.117003 trlgG= -0.146812 logG= -0.028821 TDE= -0.170850 logGD-logG0= -0.005128 tlogG= -0.022887 logG= -0.028015 Density= 0.107670 ETOT(band)= -0.116194 trlgG= -0.145251 logG= -0.028015 TDE= -0.170517 logGD-logG0= -0.004694 tlogG= -0.023679 logG= -0.028373 Density= 0.106662 ETOT(band)= -0.116846 trlgG= -0.146283 logG= -0.028373 TDE= -0.170692 logGD-logG0= -0.005051 tlogG= -0.022744 logG= -0.027796 Density= 0.108296 ETOT(band)= -0.115776 trlgG= -0.144919 logG= -0.027796 TDE= -0.170714 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004749 tlogG= -0.023510 logG= -0.028260 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106836 ETOT(band)= -0.116702 trlgG= -0.145859 logG= -0.028260 TDE= -0.170467 logGD-logG0= -0.004898 tlogG= -0.024077 logG= -0.028976 Density= 0.107113 ETOT(band)= -0.116987 trlgG= -0.147070 logG= -0.028976 TDE= -0.171099 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004760 tlogG= -0.022861 logG= -0.027621 Density= 0.107356 ETOT(band)= -0.116131 trlgG= -0.144963 logG= -0.027621 TDE= -0.170468 logGD-logG0= -0.005318 tlogG= -0.023209 logG= -0.028527 Density= 0.107734 ETOT(band)= -0.116444 trlgG= -0.146061 logG= -0.028527 TDE= -0.170847 logGD-logG0= -0.005333 tlogG= -0.023587 logG= -0.028920 Density= 0.107849 ETOT(band)= -0.116606 trlgG= -0.146691 logG= -0.028920 TDE= -0.171140 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009819 tlogG= -0.048262 logG= -0.058081 Density= 0.214513 ETOT(band)= -0.233935 trlgG= -0.294219 logG= -0.058081 TDE= -0.342290 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009509 tlogG= -0.045780 logG= -0.055289 logGD-logG0= -0.002413 tlogG= -0.010432 logG= -0.012845 Density= 0.215131 ETOT(band)= -0.232099 trlgG= -0.289833 logG= -0.055289 TDE= -0.341002 logGD-logG0= -0.005285 tlogG= -0.024065 logG= -0.029351 Density= 0.054401 ETOT(band)= -0.057026 trlgG= -0.070659 logG= -0.012845 TDE= -0.084734 Density= 0.107994 ETOT(band)= -0.116809 trlgG= -0.147404 logG= -0.029351 TDE= -0.171494 logGD-logG0= -0.009788 tlogG= -0.045608 logG= -0.055396 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009685 tlogG= -0.047176 logG= -0.056862 Density= 0.213888 ETOT(band)= -0.233522 trlgG= -0.292636 logG= -0.056862 TDE= -0.341617 Density= 0.214483 ETOT(band)= -0.232444 trlgG= -0.290004 logG= -0.055396 TDE= -0.340745 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.047918 logG= -0.057882 logGD-logG0= -0.009563 tlogG= -0.047955 logG= -0.057518 Density= 0.213398 ETOT(band)= -0.234026 trlgG= -0.293345 logG= -0.057518 TDE= -0.341427 Density= 0.214085 ETOT(band)= -0.233969 trlgG= -0.293902 logG= -0.057882 TDE= -0.341960 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010540 tlogG= -0.047768 logG= -0.058308 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214864 ETOT(band)= -0.233863 trlgG= -0.294050 logG= -0.058308 TDE= -0.342068 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009459 tlogG= -0.047465 logG= -0.056924 Density= 0.214427 ETOT(band)= -0.233358 trlgG= -0.292772 logG= -0.056924 TDE= -0.341957 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010495 tlogG= -0.048103 logG= -0.058598 Density= 0.215174 ETOT(band)= -0.233919 trlgG= -0.294564 logG= -0.058598 TDE= -0.342445 logGD-logG0= -0.010342 tlogG= -0.048003 logG= -0.058345 Density= 0.215177 ETOT(band)= -0.233774 trlgG= -0.294148 logG= -0.058345 TDE= -0.342284 logGD-logG0= -0.010404 tlogG= -0.047808 logG= -0.058211 logGD-logG0= -0.010087 tlogG= -0.048049 logG= -0.058136 Density= 0.214765 ETOT(band)= -0.233856 trlgG= -0.293880 logG= -0.058211 TDE= -0.341945 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.048038 logG= -0.058613 Density= 0.215211 ETOT(band)= -0.233911 trlgG= -0.294591 logG= -0.058613 TDE= -0.342475 Density= 0.214642 ETOT(band)= -0.233883 trlgG= -0.293971 logG= -0.058136 TDE= -0.342050 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009891 tlogG= -0.045671 logG= -0.055562 logGD-logG0= -0.010569 tlogG= -0.047956 logG= -0.058525 Density= 0.215260 ETOT(band)= -0.232177 trlgG= -0.289827 logG= -0.055562 TDE= -0.340787 Density= 0.215991 ETOT(band)= -0.233491 trlgG= -0.294509 logG= -0.058525 TDE= -0.342867 logGD-logG0= -0.010199 tlogG= -0.047683 logG= -0.057882 Density= 0.214066 ETOT(band)= -0.233956 trlgG= -0.293655 logG= -0.057882 TDE= -0.341703 logGD-logG0= -0.010642 tlogG= -0.047543 logG= -0.058186 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215798 ETOT(band)= -0.233373 trlgG= -0.293945 logG= -0.058186 TDE= -0.342547 logGD-logG0= -0.010202 tlogG= -0.046436 logG= -0.056638 Density= 0.215323 ETOT(band)= -0.232741 trlgG= -0.291457 logG= -0.056638 TDE= -0.341372 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010424 tlogG= -0.047336 logG= -0.057760 logGD-logG0= -0.010596 tlogG= -0.047448 logG= -0.058044 Density= 0.214376 ETOT(band)= -0.233752 trlgG= -0.293132 logG= -0.057760 TDE= -0.341456 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215568 ETOT(band)= -0.233411 trlgG= -0.293702 logG= -0.058044 TDE= -0.342332 logGD-logG0= -0.010686 tlogG= -0.048171 logG= -0.058857 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215523 ETOT(band)= -0.233939 trlgG= -0.295031 logG= -0.058857 TDE= -0.342826 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009813 tlogG= -0.047244 logG= -0.057057 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214591 ETOT(band)= -0.233321 trlgG= -0.292549 logG= -0.057057 TDE= -0.341682 logGD-logG0= -0.010623 tlogG= -0.047904 logG= -0.058527 Density= 0.215864 ETOT(band)= -0.233562 trlgG= -0.294509 logG= -0.058527 TDE= -0.342802 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002473 tlogG= -0.010846 logG= -0.013319 Density= 0.054089 ETOT(band)= -0.057541 trlgG= -0.071502 logG= -0.013319 TDE= -0.084948 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010638 tlogG= -0.046906 logG= -0.057544 Density= 0.215532 ETOT(band)= -0.233134 trlgG= -0.292902 logG= -0.057544 TDE= -0.342013 logGD-logG0= -0.010113 tlogG= -0.047175 logG= -0.057289 Density= 0.215257 ETOT(band)= -0.233142 trlgG= -0.292472 logG= -0.057289 TDE= -0.341704 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005941 logG= -0.007223 Density= 0.080869 ETOT(band)= -0.087574 trlgG= -0.110302 logG= -0.007223 TDE= -0.042841 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.021576 logG= -0.026499 Density= 0.108561 ETOT(band)= -0.114784 trlgG= -0.142751 logG= -0.026499 TDE= -0.169973 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004843 tlogG= -0.021002 logG= -0.025844 Density= 0.108756 ETOT(band)= -0.114199 trlgG= -0.141596 logG= -0.025844 TDE= -0.169570 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005198 tlogG= -0.023964 logG= -0.029163 Density= 0.216479 ETOT(band)= -0.233046 trlgG= -0.293963 logG= -0.029163 TDE= -0.171467 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023770 logG= -0.028988 Density= 0.216371 ETOT(band)= -0.232847 trlgG= -0.293258 logG= -0.028988 TDE= -0.171326 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005382 tlogG= -0.023905 logG= -0.029287 Density= 0.215744 ETOT(band)= -0.233563 trlgG= -0.294390 logG= -0.029287 TDE= -0.171331 logGD-logG0= -0.005030 tlogG= -0.021705 logG= -0.026734 Density= 0.107985 ETOT(band)= -0.115242 trlgG= -0.143176 logG= -0.026734 TDE= -0.169878 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.008976 tlogG= -0.048115 logG= -0.057090 Density= 0.425800 ETOT(band)= -0.467892 trlgG= -0.586097 logG= -0.057090 TDE= -0.341579 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009618 tlogG= -0.047793 logG= -0.057412 Density= 0.427421 ETOT(band)= -0.467486 trlgG= -0.585475 logG= -0.057412 TDE= -0.341296 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009995 tlogG= -0.044645 logG= -0.054640 Density= 0.324441 ETOT(band)= -0.346388 trlgG= -0.431730 logG= -0.054640 TDE= -0.340582 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004500 tlogG= -0.023595 logG= -0.028095 Density= 0.212755 ETOT(band)= -0.233767 trlgG= -0.292553 logG= -0.028095 TDE= -0.170594 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004444 tlogG= -0.023748 logG= -0.028192 Density= 0.213219 ETOT(band)= -0.233364 trlgG= -0.291583 logG= -0.028192 TDE= -0.170679 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001191 tlogG= -0.005174 logG= -0.006365 Density= 0.062575 ETOT(band)= -0.067483 trlgG= -0.084159 logG= -0.006365 TDE= -0.042336 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001577 tlogG= -0.007591 logG= -0.009168 Density= 0.071537 ETOT(band)= -0.077278 trlgG= -0.096099 logG= -0.009168 TDE= -0.056704 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024140 logG= -0.028449 Density= 0.212311 ETOT(band)= -0.234142 trlgG= -0.293496 logG= -0.028449 TDE= -0.170876 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.022301 logG= -0.027264 Density= 0.214383 ETOT(band)= -0.232231 trlgG= -0.289271 logG= -0.027264 TDE= -0.170067 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001699 tlogG= -0.007121 logG= -0.008819 Density= 0.072263 ETOT(band)= -0.076417 trlgG= -0.094794 logG= -0.008819 TDE= -0.056591 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009846 tlogG= -0.044645 logG= -0.054491 Density= 0.431822 ETOT(band)= -0.461693 trlgG= -0.574429 logG= -0.054491 TDE= -0.340218 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022483 logG= -0.027413 Density= 0.215138 ETOT(band)= -0.231462 trlgG= -0.287882 logG= -0.027413 TDE= -0.170080 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080878 ETOT(band)= -0.086894 trlgG= -0.108549 logG= -0.006863 TDE= -0.042646 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005858 logG= -0.007135 Density= 0.080688 ETOT(band)= -0.087537 trlgG= -0.110105 logG= -0.007135 TDE= -0.042787 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024008 logG= -0.029250 Density= 0.215783 ETOT(band)= -0.233661 trlgG= -0.294662 logG= -0.029250 TDE= -0.171476 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 Density= 0.081095 ETOT(band)= -0.087479 trlgG= -0.110358 logG= -0.007266 TDE= -0.042871 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005750 logG= -0.007013 Density= 0.080677 ETOT(band)= -0.087321 trlgG= -0.109550 logG= -0.007013 TDE= -0.042722 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023807 logG= -0.029082 Density= 0.215436 ETOT(band)= -0.233564 trlgG= -0.294009 logG= -0.029082 TDE= -0.171323 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009405 Density= 0.070912 ETOT(band)= -0.077874 trlgG= -0.097391 logG= -0.009405 TDE= -0.056928 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.024007 logG= -0.029213 Density= 0.216446 ETOT(band)= -0.233150 trlgG= -0.294195 logG= -0.029213 TDE= -0.171494 logGD-logG0= -0.005263 tlogG= -0.023496 logG= -0.028758 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215320 ETOT(band)= -0.233127 trlgG= -0.292744 logG= -0.028758 TDE= -0.171067 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004785 tlogG= -0.024015 logG= -0.028799 Density= 0.321735 ETOT(band)= -0.350795 trlgG= -0.441085 logG= -0.028799 TDE= -0.171125 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022451 logG= -0.027583 logGD-logG0= -0.005086 tlogG= -0.023856 logG= -0.028943 Density= 0.216469 ETOT(band)= -0.231096 trlgG= -0.288453 logG= -0.027583 TDE= -0.170468 Density= 0.215596 ETOT(band)= -0.233561 trlgG= -0.294109 logG= -0.028943 TDE= -0.171010 logGD-logG0= -0.005334 tlogG= -0.024128 logG= -0.029463 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215815 ETOT(band)= -0.233817 trlgG= -0.295076 logG= -0.029463 TDE= -0.171507 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005056 tlogG= -0.024172 logG= -0.029228 Density= 0.322598 ETOT(band)= -0.350917 trlgG= -0.441765 logG= -0.029228 TDE= -0.171132 logGD-logG0= -0.004697 tlogG= -0.023377 logG= -0.028074 Density= 0.321809 ETOT(band)= -0.349747 trlgG= -0.438508 logG= -0.028074 TDE= -0.170800 logGD-logG0= -0.005224 tlogG= -0.023424 logG= -0.028647 Density= 0.216293 ETOT(band)= -0.232467 trlgG= -0.292051 logG= -0.028647 TDE= -0.171088 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023966 logG= -0.029055 Density= 0.214452 ETOT(band)= -0.233887 trlgG= -0.293739 logG= -0.029055 TDE= -0.170963 logGD-logG0= -0.004586 tlogG= -0.023983 logG= -0.028569 Density= 0.212940 ETOT(band)= -0.234047 trlgG= -0.293307 logG= -0.028569 TDE= -0.170732 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.023895 logG= -0.028819 Density= 0.213908 ETOT(band)= -0.233796 trlgG= -0.292825 logG= -0.028819 TDE= -0.170691 logGD-logG0= -0.010440 tlogG= -0.047802 logG= -0.058241 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324489 ETOT(band)= -0.349628 trlgG= -0.440789 logG= -0.058241 TDE= -0.342827 logGD-logG0= -0.005030 tlogG= -0.024166 logG= -0.029196 Density= 0.214849 ETOT(band)= -0.233962 trlgG= -0.294358 logG= -0.029196 TDE= -0.171136 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010716 tlogG= -0.048060 logG= -0.058776 Density= 0.323396 ETOT(band)= -0.350688 trlgG= -0.442116 logG= -0.058776 TDE= -0.342816 logGD-logG0= -0.009708 tlogG= -0.046625 logG= -0.056334 Density= 0.322870 ETOT(band)= -0.348712 trlgG= -0.436161 logG= -0.056334 TDE= -0.341412 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.047251 logG= -0.057736 Density= 0.324275 ETOT(band)= -0.349259 trlgG= -0.439439 logG= -0.057736 TDE= -0.342436 logGD-logG0= -0.005259 tlogG= -0.024096 logG= -0.029355 Density= 0.323212 ETOT(band)= -0.350894 trlgG= -0.442416 logG= -0.029355 TDE= -0.171320 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.045655 logG= -0.055855 logGD-logG0= -0.004612 tlogG= -0.023900 logG= -0.028512 Density= 0.213409 ETOT(band)= -0.233642 trlgG= -0.292317 logG= -0.028512 TDE= -0.170684 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.022977 logG= -0.028173 Density= 0.216323 ETOT(band)= -0.231893 trlgG= -0.290436 logG= -0.028173 TDE= -0.170801 Density= 0.324196 ETOT(band)= -0.347657 trlgG= -0.434736 logG= -0.055855 TDE= -0.341258 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008466 Density= 0.040864 ETOT(band)= -0.042640 trlgG= -0.052773 logG= -0.008466 TDE= -0.056431 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010480 tlogG= -0.046433 logG= -0.056913 Density= 0.324144 ETOT(band)= -0.348601 trlgG= -0.437353 logG= -0.056913 TDE= -0.341880 logGD-logG0= -0.005430 tlogG= -0.023691 logG= -0.029121 logGD-logG0= -0.004847 tlogG= -0.023844 logG= -0.028691 logGD-logG0= -0.004796 tlogG= -0.023253 logG= -0.028048 Density= 0.213625 ETOT(band)= -0.233397 trlgG= -0.292044 logG= -0.028048 TDE= -0.170643 Density= 0.215509 ETOT(band)= -0.233414 trlgG= -0.293690 logG= -0.029121 TDE= -0.171153 logGD-logG0= -0.004752 tlogG= -0.024015 logG= -0.028767 Density= 0.214236 ETOT(band)= -0.233874 trlgG= -0.293957 logG= -0.028767 TDE= -0.171129 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213695 ETOT(band)= -0.233931 trlgG= -0.293562 logG= -0.028691 TDE= -0.170947 logGD-logG0= -0.005041 tlogG= -0.023256 logG= -0.028298 logGD-logG0= -0.004979 tlogG= -0.022916 logG= -0.027895 Density= 0.214912 ETOT(band)= -0.232196 trlgG= -0.289524 logG= -0.027895 TDE= -0.170332 logGD-logG0= -0.004665 tlogG= -0.023380 logG= -0.028044 Density= 0.321872 ETOT(band)= -0.350255 trlgG= -0.439359 logG= -0.028298 TDE= -0.170754 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214302 ETOT(band)= -0.233162 trlgG= -0.292164 logG= -0.028044 TDE= -0.170808 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.023964 logG= -0.029331 Density= 0.323805 ETOT(band)= -0.350366 trlgG= -0.441867 logG= -0.029331 TDE= -0.171379 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.023208 logG= -0.028386 Density= 0.214979 ETOT(band)= -0.232751 trlgG= -0.291052 logG= -0.028386 TDE= -0.170516 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.047857 logG= -0.057521 Density= 0.428271 ETOT(band)= -0.467732 trlgG= -0.587498 logG= -0.057521 TDE= -0.342064 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010167 tlogG= -0.048167 logG= -0.058335 logGD-logG0= -0.009469 tlogG= -0.046733 logG= -0.056202 Density= 0.429518 ETOT(band)= -0.467857 trlgG= -0.588276 logG= -0.058335 TDE= -0.342113 Density= 0.428139 ETOT(band)= -0.465704 trlgG= -0.581495 logG= -0.056202 TDE= -0.341017 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005444 tlogG= -0.023368 logG= -0.028812 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215213 ETOT(band)= -0.233153 trlgG= -0.292548 logG= -0.028812 TDE= -0.170860 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.047976 logG= -0.058312 logGD-logG0= -0.010299 tlogG= -0.048243 logG= -0.058542 Density= 0.430245 ETOT(band)= -0.467867 trlgG= -0.589042 logG= -0.058542 TDE= -0.342319 Density= 0.429422 ETOT(band)= -0.467818 trlgG= -0.587915 logG= -0.058312 TDE= -0.341946 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009529 tlogG= -0.046625 logG= -0.056154 Density= 0.428337 ETOT(band)= -0.466428 trlgG= -0.584105 logG= -0.056154 TDE= -0.341435 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009664 tlogG= -0.047675 logG= -0.057339 logGD-logG0= -0.004924 tlogG= -0.021313 logG= -0.026237 Density= 0.162719 ETOT(band)= -0.172847 trlgG= -0.215809 logG= -0.026237 TDE= -0.169785 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.426921 ETOT(band)= -0.467931 trlgG= -0.586615 logG= -0.057339 TDE= -0.341593 logGD-logG0= -0.010509 tlogG= -0.048093 logG= -0.058602 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430351 ETOT(band)= -0.467699 trlgG= -0.588716 logG= -0.058602 TDE= -0.342445 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010274 tlogG= -0.047689 logG= -0.057964 logGD-logG0= -0.009840 tlogG= -0.047873 logG= -0.057713 Density= 0.428520 ETOT(band)= -0.467719 trlgG= -0.586831 logG= -0.057964 TDE= -0.341705 Density= 0.429356 ETOT(band)= -0.467518 trlgG= -0.587486 logG= -0.057713 TDE= -0.342054 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010791 tlogG= -0.047706 logG= -0.058497 Density= 0.431290 ETOT(band)= -0.467075 trlgG= -0.588375 logG= -0.058497 TDE= -0.342570 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010676 tlogG= -0.047754 logG= -0.058430 Density= 0.430952 ETOT(band)= -0.467129 trlgG= -0.588011 logG= -0.058430 TDE= -0.342462 logGD-logG0= -0.010020 tlogG= -0.047577 logG= -0.057598 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428837 ETOT(band)= -0.467066 trlgG= -0.585878 logG= -0.057598 TDE= -0.341751 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009956 tlogG= -0.046420 logG= -0.056376 Density= 0.429759 ETOT(band)= -0.465150 trlgG= -0.581190 logG= -0.056376 TDE= -0.341132 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010715 tlogG= -0.048031 logG= -0.058746 Density= 0.431527 ETOT(band)= -0.467359 trlgG= -0.589369 logG= -0.058746 TDE= -0.342834 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010338 tlogG= -0.046952 logG= -0.057291 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006520 Density= 0.081592 ETOT(band)= -0.085619 trlgG= -0.106160 logG= -0.006520 TDE= -0.042437 Density= 0.430097 ETOT(band)= -0.466070 trlgG= -0.583881 logG= -0.057291 TDE= -0.341415 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.047592 logG= -0.057854 Density= 0.430222 ETOT(band)= -0.466718 trlgG= -0.585810 logG= -0.057854 TDE= -0.341859 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010736 tlogG= -0.047292 logG= -0.058028 Density= 0.430687 ETOT(band)= -0.466703 trlgG= -0.586539 logG= -0.058028 TDE= -0.342079 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004850 tlogG= -0.022338 logG= -0.027188 Density= 0.323040 ETOT(band)= -0.347681 trlgG= -0.433772 logG= -0.027188 TDE= -0.170149 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001229 tlogG= -0.005471 logG= -0.006700 Density= 0.081238 ETOT(band)= -0.086284 trlgG= -0.107315 logG= -0.006700 TDE= -0.042549 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004810 tlogG= -0.022337 logG= -0.027147 Density= 0.215143 ETOT(band)= -0.231750 trlgG= -0.288926 logG= -0.027147 TDE= -0.170155 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005095 tlogG= -0.021891 logG= -0.026986 Density= 0.216726 ETOT(band)= -0.230098 trlgG= -0.286340 logG= -0.026986 TDE= -0.170129 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005007 tlogG= -0.021362 logG= -0.026369 Density= 0.217116 ETOT(band)= -0.228994 trlgG= -0.284141 logG= -0.026369 TDE= -0.169798 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004965 tlogG= -0.021218 logG= -0.026183 Density= 0.216449 ETOT(band)= -0.229849 trlgG= -0.285391 logG= -0.026183 TDE= -0.169705 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.537580534092 eV TrLogG= -407.113770757328 eV Ratio to renormalize= 0.999523502440 rho-rho_expected= 0.010487943803 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 65) Finished k-point number 132 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 81) Finished k-point number 164 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964453121187570 0.939996208383845 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002340 tlogG= -0.011454 logG= -0.013794 Density= 0.053709 ETOT(band)= -0.058038 trlgG= -0.072488 logG= -0.013794 TDE= -0.085272 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004969 tlogG= -0.022184 logG= -0.027153 Density= 0.108293 ETOT(band)= -0.115375 trlgG= -0.143941 logG= -0.027153 TDE= -0.170376 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023696 logG= -0.028999 Density= 0.107173 ETOT(band)= -0.116940 trlgG= -0.146818 logG= -0.028999 TDE= -0.170854 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023229 logG= -0.028343 Density= 0.108126 ETOT(band)= -0.116148 trlgG= -0.145851 logG= -0.028343 TDE= -0.171014 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023658 logG= -0.028668 Density= 0.106925 ETOT(band)= -0.116865 trlgG= -0.146266 logG= -0.028668 TDE= -0.170509 logGD-logG0= -0.004693 tlogG= -0.023681 logG= -0.028374 Density= 0.106551 ETOT(band)= -0.116888 trlgG= -0.146348 logG= -0.028374 TDE= -0.170700 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023908 logG= -0.028823 Density= 0.106706 ETOT(band)= -0.117046 trlgG= -0.146878 logG= -0.028823 TDE= -0.170858 logGD-logG0= -0.004724 tlogG= -0.023698 logG= -0.028422 Density= 0.106923 ETOT(band)= -0.116775 trlgG= -0.146458 logG= -0.028422 TDE= -0.170946 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012039 logG= -0.014649 logGD-logG0= -0.002428 tlogG= -0.012088 logG= -0.014516 Density= 0.053556 ETOT(band)= -0.058513 trlgG= -0.073614 logG= -0.014516 TDE= -0.085600 Density= 0.053731 ETOT(band)= -0.058504 trlgG= -0.073672 logG= -0.014649 TDE= -0.085612 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002569 tlogG= -0.011990 logG= -0.014558 Density= 0.054102 ETOT(band)= -0.058269 trlgG= -0.073540 logG= -0.014558 TDE= -0.085754 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024062 logG= -0.028397 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001050 TDE= -0.007049 Density= 0.106076 ETOT(band)= -0.117089 trlgG= -0.146751 logG= -0.028397 TDE= -0.170846 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011889 logG= -0.014222 Density= 0.053534 ETOT(band)= -0.058368 trlgG= -0.073252 logG= -0.014222 TDE= -0.085521 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005623 logG= -0.006863 Density= 0.080793 ETOT(band)= -0.086925 trlgG= -0.108597 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023980 logG= -0.029225 Density= 0.107383 ETOT(band)= -0.116994 trlgG= -0.147216 logG= -0.029225 TDE= -0.171129 logGD-logG0= -0.005144 tlogG= -0.023883 logG= -0.029027 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108178 ETOT(band)= -0.116498 trlgG= -0.146936 logG= -0.029027 TDE= -0.171441 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007815 logG= -0.009306 logGD-logG0= -0.004637 tlogG= -0.023216 logG= -0.027854 Density= 0.106690 ETOT(band)= -0.116551 trlgG= -0.145436 logG= -0.027854 TDE= -0.170378 Density= 0.035478 ETOT(band)= -0.038901 trlgG= -0.048596 logG= -0.009306 TDE= -0.056846 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008048 logG= -0.009457 Density= 0.035300 ETOT(band)= -0.039050 trlgG= -0.048958 logG= -0.009457 TDE= -0.056970 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023962 logG= -0.029119 Density= 0.108158 ETOT(band)= -0.116562 trlgG= -0.147085 logG= -0.029119 TDE= -0.171487 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024085 logG= -0.029380 logGD-logG0= -0.005170 tlogG= -0.023775 logG= -0.028945 logGD-logG0= -0.009782 tlogG= -0.045614 logG= -0.055397 Density= 0.214260 ETOT(band)= -0.232526 trlgG= -0.290132 logG= -0.055397 TDE= -0.340762 Density= 0.107578 ETOT(band)= -0.117010 trlgG= -0.147492 logG= -0.029380 TDE= -0.171347 Density= 0.108108 ETOT(band)= -0.116487 trlgG= -0.146806 logG= -0.028945 TDE= -0.171358 logGD-logG0= -0.005164 tlogG= -0.023443 logG= -0.028607 Density= 0.108063 ETOT(band)= -0.116324 trlgG= -0.146269 logG= -0.028607 TDE= -0.171137 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005052 tlogG= -0.022471 logG= -0.027523 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002638 tlogG= -0.011993 logG= -0.014631 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053949 ETOT(band)= -0.058389 trlgG= -0.073659 logG= -0.014631 TDE= -0.085725 logGD-logG0= -0.004558 tlogG= -0.024058 logG= -0.028616 Density= 0.106343 ETOT(band)= -0.117081 trlgG= -0.146765 logG= -0.028616 TDE= -0.170773 Density= 0.108138 ETOT(band)= -0.115680 trlgG= -0.144547 logG= -0.027523 TDE= -0.170536 logGD-logG0= -0.004362 tlogG= -0.023985 logG= -0.028347 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022863 logG= -0.027742 logGD-logG0= -0.005121 tlogG= -0.022996 logG= -0.028117 Density= 0.108069 ETOT(band)= -0.116053 trlgG= -0.145494 logG= -0.028117 TDE= -0.170855 Density= 0.107688 ETOT(band)= -0.116032 trlgG= -0.144906 logG= -0.027742 TDE= -0.170453 logGD-logG0= -0.005341 tlogG= -0.024143 logG= -0.029484 Density= 0.107744 ETOT(band)= -0.117007 trlgG= -0.147682 logG= -0.029484 TDE= -0.171515 logGD-logG0= -0.001629 tlogG= -0.006997 logG= -0.008626 Density= 0.036174 ETOT(band)= -0.038109 trlgG= -0.047245 logG= -0.008626 TDE= -0.056520 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023968 logG= -0.029057 Density= 0.214226 ETOT(band)= -0.233973 trlgG= -0.293871 logG= -0.029057 TDE= -0.170971 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.024105 logG= -0.029115 Density= 0.107319 ETOT(band)= -0.116972 trlgG= -0.147115 logG= -0.029115 TDE= -0.171107 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106128 ETOT(band)= -0.117046 trlgG= -0.146638 logG= -0.028347 TDE= -0.170808 logGD-logG0= -0.005326 tlogG= -0.023917 logG= -0.029243 logGD-logG0= -0.005308 tlogG= -0.024097 logG= -0.029405 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107686 ETOT(band)= -0.116877 trlgG= -0.147278 logG= -0.029243 TDE= -0.171323 Density= 0.107820 ETOT(band)= -0.116920 trlgG= -0.147558 logG= -0.029405 TDE= -0.171508 logGD-logG0= -0.005221 tlogG= -0.023427 logG= -0.028648 Density= 0.216065 ETOT(band)= -0.232551 trlgG= -0.292182 logG= -0.028648 TDE= -0.171096 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023617 logG= -0.028763 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108134 ETOT(band)= -0.116372 trlgG= -0.146514 logG= -0.028763 TDE= -0.171261 logGD-logG0= -0.004846 tlogG= -0.023701 logG= -0.028547 Density= 0.107320 ETOT(band)= -0.116660 trlgG= -0.146372 logG= -0.028547 TDE= -0.170933 logGD-logG0= -0.005048 tlogG= -0.022748 logG= -0.027795 logGD-logG0= -0.005028 tlogG= -0.022421 logG= -0.027449 Density= 0.107578 ETOT(band)= -0.115901 trlgG= -0.144420 logG= -0.027449 TDE= -0.170206 logGD-logG0= -0.005129 tlogG= -0.022454 logG= -0.027583 Density= 0.108182 ETOT(band)= -0.115817 trlgG= -0.144984 logG= -0.027795 TDE= -0.170722 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216242 ETOT(band)= -0.231177 trlgG= -0.288581 logG= -0.027583 TDE= -0.170477 logGD-logG0= -0.009886 tlogG= -0.045676 logG= -0.055563 Density= 0.215036 ETOT(band)= -0.232259 trlgG= -0.289955 logG= -0.055563 TDE= -0.340803 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023513 logG= -0.028261 Density= 0.106725 ETOT(band)= -0.116744 trlgG= -0.145923 logG= -0.028261 TDE= -0.170475 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022890 logG= -0.028015 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.023897 logG= -0.028821 Density= 0.213684 ETOT(band)= -0.233881 trlgG= -0.292957 logG= -0.028821 TDE= -0.170700 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023256 logG= -0.028049 Density= 0.213403 ETOT(band)= -0.233481 trlgG= -0.292173 logG= -0.028049 TDE= -0.170652 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023847 logG= -0.028692 Density= 0.213471 ETOT(band)= -0.234017 trlgG= -0.293693 logG= -0.028692 TDE= -0.170955 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107557 ETOT(band)= -0.116236 trlgG= -0.145316 logG= -0.028015 TDE= -0.170526 logGD-logG0= -0.002410 tlogG= -0.010434 logG= -0.012844 Density= 0.054343 ETOT(band)= -0.057046 trlgG= -0.070690 logG= -0.012844 TDE= -0.084738 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023001 logG= -0.027725 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004897 tlogG= -0.024080 logG= -0.028978 logGD-logG0= -0.004663 tlogG= -0.023382 logG= -0.028045 Density= 0.214078 ETOT(band)= -0.233246 trlgG= -0.292293 logG= -0.028045 TDE= -0.170816 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107001 ETOT(band)= -0.117030 trlgG= -0.147136 logG= -0.028978 TDE= -0.171108 Density= 0.106825 ETOT(band)= -0.116421 trlgG= -0.145174 logG= -0.027725 TDE= -0.170311 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024069 logG= -0.029352 Density= 0.107879 ETOT(band)= -0.116853 trlgG= -0.147471 logG= -0.029352 TDE= -0.171502 logGD-logG0= -0.005316 tlogG= -0.023212 logG= -0.028528 Density= 0.107621 ETOT(band)= -0.116486 trlgG= -0.146127 logG= -0.028528 TDE= -0.170855 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.023881 logG= -0.029175 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107848 ETOT(band)= -0.116746 trlgG= -0.147174 logG= -0.029175 TDE= -0.171368 logGD-logG0= -0.004757 tlogG= -0.022864 logG= -0.027621 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107244 ETOT(band)= -0.116172 trlgG= -0.145027 logG= -0.027621 TDE= -0.170476 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009136 tlogG= -0.047655 logG= -0.056791 Density= 0.212835 ETOT(band)= -0.233897 trlgG= -0.292832 logG= -0.056791 TDE= -0.341362 logGD-logG0= -0.005331 tlogG= -0.023591 logG= -0.028922 Density= 0.107735 ETOT(band)= -0.116649 trlgG= -0.146758 logG= -0.028922 TDE= -0.171149 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009503 tlogG= -0.045785 logG= -0.055289 Density= 0.214906 ETOT(band)= -0.232181 trlgG= -0.289961 logG= -0.055289 TDE= -0.341018 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009817 tlogG= -0.048267 logG= -0.058084 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214287 ETOT(band)= -0.234021 trlgG= -0.294351 logG= -0.058084 TDE= -0.342307 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009682 tlogG= -0.047182 logG= -0.056864 Density= 0.213665 ETOT(band)= -0.233607 trlgG= -0.292766 logG= -0.056864 TDE= -0.341634 logGD-logG0= -0.009962 tlogG= -0.047923 logG= -0.057885 Density= 0.213860 ETOT(band)= -0.234056 trlgG= -0.294034 logG= -0.057885 TDE= -0.341977 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009837 tlogG= -0.047184 logG= -0.057020 logGD-logG0= -0.010340 tlogG= -0.048008 logG= -0.058348 Density= 0.214950 ETOT(band)= -0.233861 trlgG= -0.294281 logG= -0.058348 TDE= -0.342301 Density= 0.213675 ETOT(band)= -0.233652 trlgG= -0.292559 logG= -0.057020 TDE= -0.341276 logGD-logG0= -0.010493 tlogG= -0.048108 logG= -0.058601 logGD-logG0= -0.009562 tlogG= -0.047959 logG= -0.057521 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214946 ETOT(band)= -0.234006 trlgG= -0.294698 logG= -0.058601 TDE= -0.342463 Density= 0.213174 ETOT(band)= -0.234112 trlgG= -0.293476 logG= -0.057521 TDE= -0.341444 logGD-logG0= -0.009455 tlogG= -0.047471 logG= -0.056926 logGD-logG0= -0.010538 tlogG= -0.047773 logG= -0.058311 Density= 0.214637 ETOT(band)= -0.233950 trlgG= -0.294183 logG= -0.058311 TDE= -0.342086 Density= 0.214202 ETOT(band)= -0.233442 trlgG= -0.292902 logG= -0.056926 TDE= -0.341974 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.021580 logG= -0.026498 Density= 0.108447 ETOT(band)= -0.114824 trlgG= -0.142814 logG= -0.026498 TDE= -0.169981 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010573 tlogG= -0.048043 logG= -0.058616 Density= 0.214982 ETOT(band)= -0.233998 trlgG= -0.294725 logG= -0.058616 TDE= -0.342493 logGD-logG0= -0.010198 tlogG= -0.047688 logG= -0.057886 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010401 tlogG= -0.047813 logG= -0.058215 Density= 0.213841 ETOT(band)= -0.234043 trlgG= -0.293786 logG= -0.057886 TDE= -0.341720 logGD-logG0= -0.010564 tlogG= -0.047963 logG= -0.058527 Density= 0.214538 ETOT(band)= -0.233943 trlgG= -0.294013 logG= -0.058215 TDE= -0.341962 logGD-logG0= -0.010638 tlogG= -0.047551 logG= -0.058188 Density= 0.215569 ETOT(band)= -0.233459 trlgG= -0.294078 logG= -0.058188 TDE= -0.342564 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.021005 logG= -0.025842 Density= 0.108641 ETOT(band)= -0.114238 trlgG= -0.141659 logG= -0.025842 TDE= -0.169578 logGD-logG0= -0.002471 tlogG= -0.010847 logG= -0.013319 Density= 0.215762 ETOT(band)= -0.233577 trlgG= -0.294642 logG= -0.058527 TDE= -0.342885 logGD-logG0= -0.010423 tlogG= -0.047340 logG= -0.057763 Density= 0.214150 ETOT(band)= -0.233839 trlgG= -0.293264 logG= -0.057763 TDE= -0.341474 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054032 ETOT(band)= -0.057561 trlgG= -0.071533 logG= -0.013319 TDE= -0.084953 logGD-logG0= -0.001696 tlogG= -0.007308 logG= -0.009004 Density= 0.035826 ETOT(band)= -0.038555 trlgG= -0.047902 logG= -0.009004 TDE= -0.056626 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010593 tlogG= -0.047453 logG= -0.058047 logGD-logG0= -0.010685 tlogG= -0.048176 logG= -0.058860 Density= 0.215340 ETOT(band)= -0.233497 trlgG= -0.293834 logG= -0.058047 TDE= -0.342349 logGD-logG0= -0.010198 tlogG= -0.046441 logG= -0.056639 logGD-logG0= -0.010085 tlogG= -0.048054 logG= -0.058139 Density= 0.215294 ETOT(band)= -0.234026 trlgG= -0.295165 logG= -0.058860 TDE= -0.342843 Density= 0.215097 ETOT(band)= -0.232825 trlgG= -0.291588 logG= -0.056639 TDE= -0.341389 Density= 0.214415 ETOT(band)= -0.233970 trlgG= -0.294103 logG= -0.058139 TDE= -0.342067 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.047911 logG= -0.058530 Density= 0.215635 ETOT(band)= -0.233648 trlgG= -0.294642 logG= -0.058530 TDE= -0.342820 logGD-logG0= -0.010635 tlogG= -0.046911 logG= -0.057546 logGD-logG0= -0.009810 tlogG= -0.047249 logG= -0.057059 Density= 0.215304 ETOT(band)= -0.233219 trlgG= -0.293034 logG= -0.057546 TDE= -0.342031 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214366 ETOT(band)= -0.233406 trlgG= -0.292679 logG= -0.057059 TDE= -0.341699 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.047181 logG= -0.057291 Density= 0.215030 ETOT(band)= -0.233226 trlgG= -0.292604 logG= -0.057291 TDE= -0.341721 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.021707 logG= -0.026733 Density= 0.107872 ETOT(band)= -0.115282 trlgG= -0.143239 logG= -0.026733 TDE= -0.169886 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010046 tlogG= -0.043417 logG= -0.053462 Density= 0.216154 ETOT(band)= -0.230358 trlgG= -0.286459 logG= -0.053462 TDE= -0.339960 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021890 logG= -0.026894 Density= 0.108258 ETOT(band)= -0.115190 trlgG= -0.143492 logG= -0.026894 TDE= -0.170170 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005085 tlogG= -0.021831 logG= -0.026916 Density= 0.107731 ETOT(band)= -0.115474 trlgG= -0.143547 logG= -0.026916 TDE= -0.169942 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001281 tlogG= -0.005942 logG= -0.007223 Density= 0.080783 ETOT(band)= -0.087606 trlgG= -0.110352 logG= -0.007223 TDE= -0.042843 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005859 logG= -0.007135 Density= 0.080603 ETOT(band)= -0.087569 trlgG= -0.110154 logG= -0.007135 TDE= -0.042789 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004309 tlogG= -0.024142 logG= -0.028451 Density= 0.212091 ETOT(band)= -0.234227 trlgG= -0.293625 logG= -0.028451 TDE= -0.170884 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.024169 logG= -0.029198 logGD-logG0= -0.001261 tlogG= -0.005751 logG= -0.007013 Density= 0.214622 ETOT(band)= -0.234049 trlgG= -0.294491 logG= -0.029198 TDE= -0.171144 Density= 0.080592 ETOT(band)= -0.087352 trlgG= -0.109598 logG= -0.007013 TDE= -0.042724 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007266 Density= 0.081009 ETOT(band)= -0.087511 trlgG= -0.110408 logG= -0.007266 TDE= -0.042873 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023968 logG= -0.029164 Density= 0.216249 ETOT(band)= -0.233131 trlgG= -0.294096 logG= -0.029164 TDE= -0.171476 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.021317 logG= -0.026236 Density= 0.162547 ETOT(band)= -0.172908 trlgG= -0.215906 logG= -0.026236 TDE= -0.169794 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009467 tlogG= -0.046738 logG= -0.056204 Density= 0.427695 ETOT(band)= -0.465870 trlgG= -0.581752 logG= -0.056204 TDE= -0.341034 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007969 logG= -0.009405 Density= 0.070839 ETOT(band)= -0.077902 trlgG= -0.097433 logG= -0.009405 TDE= -0.056931 logGD-logG0= -0.005239 tlogG= -0.024012 logG= -0.029251 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215554 ETOT(band)= -0.233748 trlgG= -0.294796 logG= -0.029251 TDE= -0.171484 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.023810 logG= -0.029083 Density= 0.215208 ETOT(band)= -0.233650 trlgG= -0.294141 logG= -0.029083 TDE= -0.171332 logGD-logG0= -0.005203 tlogG= -0.024011 logG= -0.029214 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216215 ETOT(band)= -0.233235 trlgG= -0.294328 logG= -0.029214 TDE= -0.171502 logGD-logG0= -0.004443 tlogG= -0.023751 logG= -0.028193 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212998 ETOT(band)= -0.233447 trlgG= -0.291710 logG= -0.028193 TDE= -0.170687 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023498 logG= -0.028759 Density= 0.215093 ETOT(band)= -0.233212 trlgG= -0.292875 logG= -0.028759 TDE= -0.171075 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.046425 logG= -0.056378 Density= 0.429310 ETOT(band)= -0.465316 trlgG= -0.581448 logG= -0.056378 TDE= -0.341148 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023859 logG= -0.028944 Density= 0.215367 ETOT(band)= -0.233647 trlgG= -0.294243 logG= -0.028944 TDE= -0.171019 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.024132 logG= -0.029464 Density= 0.215585 ETOT(band)= -0.233904 trlgG= -0.295210 logG= -0.029464 TDE= -0.171516 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024018 logG= -0.028801 Density= 0.321396 ETOT(band)= -0.350924 trlgG= -0.441282 logG= -0.028801 TDE= -0.171133 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005311 logG= -0.006519 Density= 0.081507 ETOT(band)= -0.085648 trlgG= -0.106207 logG= -0.006519 TDE= -0.042439 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004695 tlogG= -0.023380 logG= -0.028074 Density= 0.321472 ETOT(band)= -0.349873 trlgG= -0.438703 logG= -0.028074 TDE= -0.170809 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004612 tlogG= -0.023902 logG= -0.028514 Density= 0.213187 ETOT(band)= -0.233727 trlgG= -0.292446 logG= -0.028514 TDE= -0.170692 logGD-logG0= -0.004586 tlogG= -0.023985 logG= -0.028570 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212718 ETOT(band)= -0.234133 trlgG= -0.293436 logG= -0.028570 TDE= -0.170740 logGD-logG0= -0.010713 tlogG= -0.048066 logG= -0.058779 logGD-logG0= -0.005192 tlogG= -0.022981 logG= -0.028173 Density= 0.323052 ETOT(band)= -0.350819 trlgG= -0.442317 logG= -0.058779 TDE= -0.342834 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216095 ETOT(band)= -0.231976 trlgG= -0.290566 logG= -0.028173 TDE= -0.170810 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001586 tlogG= -0.006879 logG= -0.008465 Density= 0.040821 ETOT(band)= -0.042654 trlgG= -0.052797 logG= -0.008465 TDE= -0.056434 logGD-logG0= -0.010435 tlogG= -0.047809 logG= -0.058244 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324144 ETOT(band)= -0.349756 trlgG= -0.440988 logG= -0.058244 TDE= -0.342845 logGD-logG0= -0.005215 tlogG= -0.023773 logG= -0.028989 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062510 ETOT(band)= -0.067507 trlgG= -0.084196 logG= -0.006365 TDE= -0.042338 Density= 0.216141 ETOT(band)= -0.232932 trlgG= -0.293390 logG= -0.028989 TDE= -0.171335 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010480 tlogG= -0.047259 logG= -0.057738 Density= 0.323932 ETOT(band)= -0.349386 trlgG= -0.439637 logG= -0.057738 TDE= -0.342453 logGD-logG0= -0.005258 tlogG= -0.024098 logG= -0.029357 logGD-logG0= -0.004498 tlogG= -0.023597 logG= -0.028096 Density= 0.212535 ETOT(band)= -0.233851 trlgG= -0.292681 logG= -0.028096 TDE= -0.170602 Density= 0.322868 ETOT(band)= -0.351026 trlgG= -0.442618 logG= -0.029357 TDE= -0.171329 logGD-logG0= -0.005380 tlogG= -0.023908 logG= -0.029289 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007122 logG= -0.008819 Density= 0.072187 ETOT(band)= -0.076443 trlgG= -0.094836 logG= -0.008819 TDE= -0.056594 logGD-logG0= -0.005055 tlogG= -0.024175 logG= -0.029229 logGD-logG0= -0.009704 tlogG= -0.046631 logG= -0.056335 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322532 ETOT(band)= -0.348837 trlgG= -0.436354 logG= -0.056335 TDE= -0.341429 Density= 0.322256 ETOT(band)= -0.351047 trlgG= -0.441965 logG= -0.029229 TDE= -0.171140 Density= 0.215515 ETOT(band)= -0.233650 trlgG= -0.294523 logG= -0.029289 TDE= -0.171339 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010195 tlogG= -0.045660 logG= -0.055856 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323856 ETOT(band)= -0.347781 trlgG= -0.434930 logG= -0.055856 TDE= -0.341275 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023259 logG= -0.028298 Density= 0.321533 ETOT(band)= -0.350384 trlgG= -0.439556 logG= -0.028298 TDE= -0.170763 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024018 logG= -0.028768 Density= 0.214011 ETOT(band)= -0.233961 trlgG= -0.294088 logG= -0.028768 TDE= -0.171138 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.022918 logG= -0.027895 Density= 0.214689 ETOT(band)= -0.232278 trlgG= -0.289652 logG= -0.027895 TDE= -0.170341 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.046440 logG= -0.056914 Density= 0.323803 ETOT(band)= -0.348727 trlgG= -0.437549 logG= -0.056914 TDE= -0.341897 logGD-logG0= -0.005365 tlogG= -0.023967 logG= -0.029333 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323461 ETOT(band)= -0.350495 trlgG= -0.442068 logG= -0.029333 TDE= -0.171388 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008975 tlogG= -0.048119 logG= -0.057094 logGD-logG0= -0.005428 tlogG= -0.023694 logG= -0.029122 Density= 0.215281 ETOT(band)= -0.233500 trlgG= -0.293823 logG= -0.029122 TDE= -0.171162 Density= 0.425356 ETOT(band)= -0.468062 trlgG= -0.586355 logG= -0.057094 TDE= -0.341595 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023210 logG= -0.028387 Density= 0.214755 ETOT(band)= -0.232835 trlgG= -0.291182 logG= -0.028387 TDE= -0.170525 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023370 logG= -0.028814 Density= 0.214987 ETOT(band)= -0.233238 trlgG= -0.292679 logG= -0.028814 TDE= -0.170869 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009662 tlogG= -0.047862 logG= -0.057524 Density= 0.427820 ETOT(band)= -0.467904 trlgG= -0.587761 logG= -0.057524 TDE= -0.342081 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010507 tlogG= -0.048099 logG= -0.058605 Density= 0.429895 ETOT(band)= -0.467873 trlgG= -0.588983 logG= -0.058605 TDE= -0.342462 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007592 logG= -0.009168 Density= 0.071463 ETOT(band)= -0.077305 trlgG= -0.096141 logG= -0.009168 TDE= -0.056707 logGD-logG0= -0.010297 tlogG= -0.048248 logG= -0.058545 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429789 ETOT(band)= -0.468042 trlgG= -0.589310 logG= -0.058545 TDE= -0.342336 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010674 tlogG= -0.047759 logG= -0.058433 Density= 0.430496 ETOT(band)= -0.467301 trlgG= -0.588278 logG= -0.058433 TDE= -0.342480 logGD-logG0= -0.010273 tlogG= -0.047694 logG= -0.057967 logGD-logG0= -0.010165 tlogG= -0.048173 logG= -0.058338 Density= 0.429064 ETOT(band)= -0.468031 trlgG= -0.588542 logG= -0.058338 TDE= -0.342129 logGD-logG0= -0.009524 tlogG= -0.046631 logG= -0.056155 Density= 0.427890 ETOT(band)= -0.466596 trlgG= -0.584363 logG= -0.056155 TDE= -0.341451 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.047982 logG= -0.058315 Density= 0.428969 ETOT(band)= -0.467991 trlgG= -0.588181 logG= -0.058315 TDE= -0.341964 Density= 0.428070 ETOT(band)= -0.467892 trlgG= -0.587095 logG= -0.057967 TDE= -0.341722 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010786 tlogG= -0.047713 logG= -0.058500 Density= 0.430833 ETOT(band)= -0.467248 trlgG= -0.588642 logG= -0.058500 TDE= -0.342587 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009618 tlogG= -0.047797 logG= -0.057415 logGD-logG0= -0.009663 tlogG= -0.047679 logG= -0.057342 Density= 0.426974 ETOT(band)= -0.467657 trlgG= -0.585736 logG= -0.057415 TDE= -0.341313 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426475 ETOT(band)= -0.468103 trlgG= -0.586877 logG= -0.057342 TDE= -0.341610 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010018 tlogG= -0.047583 logG= -0.057601 Density= 0.428387 ETOT(band)= -0.467236 trlgG= -0.586139 logG= -0.057601 TDE= -0.341768 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010711 tlogG= -0.048038 logG= -0.058749 Density= 0.431068 ETOT(band)= -0.467532 trlgG= -0.589637 logG= -0.058749 TDE= -0.342852 logGD-logG0= -0.009837 tlogG= -0.047878 logG= -0.057716 Density= 0.428903 ETOT(band)= -0.467691 trlgG= -0.587750 logG= -0.057716 TDE= -0.342070 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.046958 logG= -0.057293 Density= 0.429646 ETOT(band)= -0.466239 trlgG= -0.584143 logG= -0.057293 TDE= -0.341432 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010734 tlogG= -0.047297 logG= -0.058031 Density= 0.430233 ETOT(band)= -0.466874 trlgG= -0.586804 logG= -0.058031 TDE= -0.342096 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010260 tlogG= -0.047597 logG= -0.057857 Density= 0.429769 ETOT(band)= -0.466889 trlgG= -0.586074 logG= -0.057857 TDE= -0.341877 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005472 logG= -0.006699 Density= 0.081152 ETOT(band)= -0.086314 trlgG= -0.107363 logG= -0.006699 TDE= -0.042551 logGD-logG0= -0.005091 tlogG= -0.021894 logG= -0.026985 Density= 0.216498 ETOT(band)= -0.230179 trlgG= -0.286468 logG= -0.026985 TDE= -0.170138 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004847 tlogG= -0.022340 logG= -0.027187 Density= 0.322702 ETOT(band)= -0.347803 trlgG= -0.433963 logG= -0.027187 TDE= -0.170158 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005002 tlogG= -0.021366 logG= -0.026368 Density= 0.216889 ETOT(band)= -0.229073 trlgG= -0.284267 logG= -0.026368 TDE= -0.169807 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009989 tlogG= -0.044650 logG= -0.054640 Density= 0.324100 ETOT(band)= -0.346510 trlgG= -0.431921 logG= -0.054640 TDE= -0.340599 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022304 logG= -0.027264 Density= 0.214161 ETOT(band)= -0.232313 trlgG= -0.289398 logG= -0.027264 TDE= -0.170076 logGD-logG0= -0.004960 tlogG= -0.021221 logG= -0.026181 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216223 ETOT(band)= -0.229928 trlgG= -0.285517 logG= -0.026181 TDE= -0.169713 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004807 tlogG= -0.022339 logG= -0.027146 Density= 0.214918 ETOT(band)= -0.231832 trlgG= -0.289053 logG= -0.027146 TDE= -0.170163 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009839 tlogG= -0.044650 logG= -0.054490 Density= 0.431371 ETOT(band)= -0.461854 trlgG= -0.574683 logG= -0.054490 TDE= -0.340234 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.022485 logG= -0.027413 Density= 0.214915 ETOT(band)= -0.231542 trlgG= -0.288009 logG= -0.027413 TDE= -0.170089 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.655519154387 eV TrLogG= -407.140180253660 eV Ratio to renormalize= 1.000575788969 rho-rho_expected=-0.012660067784 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 72) Finished k-point number 146 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964424212538687 0.939955351230589 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001049 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002429 tlogG= -0.012086 logG= -0.014515 Density= 0.053555 ETOT(band)= -0.058510 trlgG= -0.073610 logG= -0.014515 TDE= -0.085597 logGD-logG0= -0.002333 tlogG= -0.011888 logG= -0.014221 Density= 0.053534 ETOT(band)= -0.058365 trlgG= -0.073247 logG= -0.014221 TDE= -0.085517 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.012037 logG= -0.014648 Density= 0.053731 ETOT(band)= -0.058501 trlgG= -0.073668 logG= -0.014648 TDE= -0.085608 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011452 logG= -0.013793 Density= 0.053708 ETOT(band)= -0.058035 trlgG= -0.072484 logG= -0.013793 TDE= -0.085268 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008047 logG= -0.009456 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035477 ETOT(band)= -0.038899 trlgG= -0.048593 logG= -0.009305 TDE= -0.056844 Density= 0.035300 ETOT(band)= -0.039048 trlgG= -0.048955 logG= -0.009456 TDE= -0.056967 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.022992 logG= -0.028114 logGD-logG0= -0.002569 tlogG= -0.011988 logG= -0.014557 Density= 0.108067 ETOT(band)= -0.116048 trlgG= -0.145485 logG= -0.028114 TDE= -0.170848 Density= 0.054101 ETOT(band)= -0.058266 trlgG= -0.073536 logG= -0.014557 TDE= -0.085750 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.023772 logG= -0.028943 Density= 0.108106 ETOT(band)= -0.116481 trlgG= -0.146796 logG= -0.028943 TDE= -0.171350 logGD-logG0= -0.004362 tlogG= -0.023982 logG= -0.028344 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023439 logG= -0.028604 Density= 0.108061 ETOT(band)= -0.116318 trlgG= -0.146260 logG= -0.028604 TDE= -0.171130 logGD-logG0= -0.002638 tlogG= -0.011991 logG= -0.014629 Density= 0.106127 ETOT(band)= -0.117040 trlgG= -0.146629 logG= -0.028344 TDE= -0.170802 Density= 0.053948 ETOT(band)= -0.058386 trlgG= -0.073655 logG= -0.014629 TDE= -0.085721 logGD-logG0= -0.005158 tlogG= -0.023958 logG= -0.029116 Density= 0.108156 ETOT(band)= -0.116556 trlgG= -0.147075 logG= -0.029116 TDE= -0.171480 logGD-logG0= -0.004558 tlogG= -0.024055 logG= -0.028613 logGD-logG0= -0.005053 tlogG= -0.022468 logG= -0.027520 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106341 ETOT(band)= -0.117075 trlgG= -0.146756 logG= -0.028613 TDE= -0.170766 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108137 ETOT(band)= -0.115674 trlgG= -0.144538 logG= -0.027520 TDE= -0.170529 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022181 logG= -0.027151 logGD-logG0= -0.004638 tlogG= -0.023214 logG= -0.027851 Density= 0.106689 ETOT(band)= -0.116545 trlgG= -0.145427 logG= -0.027851 TDE= -0.170371 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.024082 logG= -0.029377 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108291 ETOT(band)= -0.115369 trlgG= -0.143932 logG= -0.027151 TDE= -0.170369 Density= 0.107577 ETOT(band)= -0.117004 trlgG= -0.147482 logG= -0.029377 TDE= -0.171339 logGD-logG0= -0.005342 tlogG= -0.024139 logG= -0.029481 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107742 ETOT(band)= -0.117001 trlgG= -0.147673 logG= -0.029481 TDE= -0.171508 logGD-logG0= -0.005145 tlogG= -0.023880 logG= -0.029025 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108176 ETOT(band)= -0.116492 trlgG= -0.146927 logG= -0.029025 TDE= -0.171433 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023693 logG= -0.028996 Density= 0.107172 ETOT(band)= -0.116934 trlgG= -0.146809 logG= -0.028996 TDE= -0.170847 logGD-logG0= -0.005010 tlogG= -0.024102 logG= -0.029112 Density= 0.107317 ETOT(band)= -0.116966 trlgG= -0.147106 logG= -0.029112 TDE= -0.171100 logGD-logG0= -0.005010 tlogG= -0.023655 logG= -0.028666 Density= 0.106923 ETOT(band)= -0.116859 trlgG= -0.146256 logG= -0.028666 TDE= -0.170501 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023914 logG= -0.029241 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.024093 logG= -0.029403 Density= 0.107818 ETOT(band)= -0.116914 trlgG= -0.147549 logG= -0.029403 TDE= -0.171500 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023977 logG= -0.029223 Density= 0.107381 ETOT(band)= -0.116988 trlgG= -0.147207 logG= -0.029223 TDE= -0.171121 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107684 ETOT(band)= -0.116871 trlgG= -0.147268 logG= -0.029241 TDE= -0.171315 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023225 logG= -0.028340 Density= 0.108124 ETOT(band)= -0.116142 trlgG= -0.145842 logG= -0.028340 TDE= -0.171007 logGD-logG0= -0.004693 tlogG= -0.023679 logG= -0.028372 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022886 logG= -0.028012 Density= 0.107556 ETOT(band)= -0.116230 trlgG= -0.145307 logG= -0.028012 TDE= -0.170518 Density= 0.106549 ETOT(band)= -0.116882 trlgG= -0.146339 logG= -0.028372 TDE= -0.170693 logGD-logG0= -0.004880 tlogG= -0.022860 logG= -0.027740 logGD-logG0= -0.005028 tlogG= -0.022418 logG= -0.027447 Density= 0.107576 ETOT(band)= -0.115896 trlgG= -0.144411 logG= -0.027447 TDE= -0.170198 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107686 ETOT(band)= -0.116026 trlgG= -0.144897 logG= -0.027740 TDE= -0.170446 logGD-logG0= -0.005049 tlogG= -0.022744 logG= -0.027793 Density= 0.108180 ETOT(band)= -0.115812 trlgG= -0.144975 logG= -0.027793 TDE= -0.170715 logGD-logG0= -0.004724 tlogG= -0.022998 logG= -0.027722 logGD-logG0= -0.004725 tlogG= -0.023695 logG= -0.028419 Density= 0.106823 ETOT(band)= -0.116415 trlgG= -0.145165 logG= -0.027722 TDE= -0.170304 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023905 logG= -0.028820 Density= 0.106704 ETOT(band)= -0.117040 trlgG= -0.146869 logG= -0.028820 TDE= -0.170851 logGD-logG0= -0.005147 tlogG= -0.023614 logG= -0.028761 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106922 ETOT(band)= -0.116769 trlgG= -0.146448 logG= -0.028419 TDE= -0.170939 Density= 0.108132 ETOT(band)= -0.116366 trlgG= -0.146505 logG= -0.028761 TDE= -0.171254 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.023698 logG= -0.028544 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107319 ETOT(band)= -0.116654 trlgG= -0.146363 logG= -0.028544 TDE= -0.170926 logGD-logG0= -0.004898 tlogG= -0.024077 logG= -0.028975 Density= 0.106999 ETOT(band)= -0.117024 trlgG= -0.147127 logG= -0.028975 TDE= -0.171101 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022861 logG= -0.027618 Density= 0.107243 ETOT(band)= -0.116166 trlgG= -0.145018 logG= -0.027618 TDE= -0.170469 logGD-logG0= -0.005316 tlogG= -0.023209 logG= -0.028525 Density= 0.107619 ETOT(band)= -0.116480 trlgG= -0.146118 logG= -0.028525 TDE= -0.170848 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.023877 logG= -0.029172 Density= 0.107847 ETOT(band)= -0.116741 trlgG= -0.147165 logG= -0.029172 TDE= -0.171360 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009818 tlogG= -0.048261 logG= -0.058079 Density= 0.214284 ETOT(band)= -0.234010 trlgG= -0.294333 logG= -0.058079 TDE= -0.342293 logGD-logG0= -0.004335 tlogG= -0.024059 logG= -0.028394 Density= 0.106075 ETOT(band)= -0.117083 trlgG= -0.146742 logG= -0.028394 TDE= -0.170839 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009136 tlogG= -0.047650 logG= -0.056786 Density= 0.212832 ETOT(band)= -0.233885 trlgG= -0.292814 logG= -0.056786 TDE= -0.341349 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024065 logG= -0.029349 Density= 0.107877 ETOT(band)= -0.116847 trlgG= -0.147461 logG= -0.029349 TDE= -0.171495 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023587 logG= -0.028919 Density= 0.107733 ETOT(band)= -0.116643 trlgG= -0.146748 logG= -0.028919 TDE= -0.171141 logGD-logG0= -0.009504 tlogG= -0.045779 logG= -0.055283 Density= 0.214903 ETOT(band)= -0.232169 trlgG= -0.289943 logG= -0.055283 TDE= -0.341004 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.047917 logG= -0.057880 Density= 0.213857 ETOT(band)= -0.234044 trlgG= -0.294016 logG= -0.057880 TDE= -0.341963 logGD-logG0= -0.009784 tlogG= -0.045608 logG= -0.055391 Density= 0.214257 ETOT(band)= -0.232514 trlgG= -0.290113 logG= -0.055391 TDE= -0.340747 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009683 tlogG= -0.047176 logG= -0.056859 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009456 tlogG= -0.047465 logG= -0.056921 logGD-logG0= -0.009562 tlogG= -0.047954 logG= -0.057516 Density= 0.213662 ETOT(band)= -0.233595 trlgG= -0.292748 logG= -0.056859 TDE= -0.341620 logGD-logG0= -0.010494 tlogG= -0.048102 logG= -0.058596 Density= 0.214943 ETOT(band)= -0.233995 trlgG= -0.294679 logG= -0.058596 TDE= -0.342448 Density= 0.214199 ETOT(band)= -0.233430 trlgG= -0.292884 logG= -0.056921 TDE= -0.341960 Density= 0.213171 ETOT(band)= -0.234100 trlgG= -0.293458 logG= -0.057516 TDE= -0.341430 logGD-logG0= -0.010539 tlogG= -0.047767 logG= -0.058305 Density= 0.214634 ETOT(band)= -0.233938 trlgG= -0.294165 logG= -0.058305 TDE= -0.342071 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010340 tlogG= -0.048002 logG= -0.058342 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214946 ETOT(band)= -0.233849 trlgG= -0.294262 logG= -0.058342 TDE= -0.342286 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047179 logG= -0.057015 Density= 0.213672 ETOT(band)= -0.233640 trlgG= -0.292541 logG= -0.057015 TDE= -0.341262 logGD-logG0= -0.010574 tlogG= -0.048037 logG= -0.058611 Density= 0.214979 ETOT(band)= -0.233986 trlgG= -0.294706 logG= -0.058611 TDE= -0.342478 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007307 logG= -0.009003 Density= 0.035825 ETOT(band)= -0.038553 trlgG= -0.047899 logG= -0.009003 TDE= -0.056624 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006996 logG= -0.008625 Density= 0.036173 ETOT(band)= -0.038107 trlgG= -0.047242 logG= -0.008625 TDE= -0.056517 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010640 tlogG= -0.047543 logG= -0.058183 logGD-logG0= -0.010086 tlogG= -0.048048 logG= -0.058134 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010402 tlogG= -0.047807 logG= -0.058209 Density= 0.214535 ETOT(band)= -0.233931 trlgG= -0.293994 logG= -0.058209 TDE= -0.341947 Density= 0.215566 ETOT(band)= -0.233447 trlgG= -0.294059 logG= -0.058183 TDE= -0.342549 Density= 0.214412 ETOT(band)= -0.233958 trlgG= -0.294085 logG= -0.058134 TDE= -0.342053 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.047334 logG= -0.057757 Density= 0.214147 ETOT(band)= -0.233827 trlgG= -0.293246 logG= -0.057757 TDE= -0.341459 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009887 tlogG= -0.045670 logG= -0.055557 Density= 0.215033 ETOT(band)= -0.232247 trlgG= -0.289937 logG= -0.055557 TDE= -0.340789 logGD-logG0= -0.010199 tlogG= -0.047682 logG= -0.057880 Density= 0.213838 ETOT(band)= -0.234031 trlgG= -0.293768 logG= -0.057880 TDE= -0.341706 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023510 logG= -0.028258 Density= 0.106723 ETOT(band)= -0.116738 trlgG= -0.145914 logG= -0.028258 TDE= -0.170468 logGD-logG0= -0.002410 tlogG= -0.010432 logG= -0.012843 logGD-logG0= -0.010199 tlogG= -0.046435 logG= -0.056634 Density= 0.054343 ETOT(band)= -0.057043 trlgG= -0.070686 logG= -0.012843 TDE= -0.084734 Density= 0.215094 ETOT(band)= -0.232813 trlgG= -0.291569 logG= -0.056634 TDE= -0.341374 logGD-logG0= -0.010594 tlogG= -0.047447 logG= -0.058041 logGD-logG0= -0.010685 tlogG= -0.048170 logG= -0.058855 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215337 ETOT(band)= -0.233485 trlgG= -0.293816 logG= -0.058041 TDE= -0.342334 Density= 0.215290 ETOT(band)= -0.234015 trlgG= -0.295147 logG= -0.058855 TDE= -0.342828 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.047956 logG= -0.058522 logGD-logG0= -0.010621 tlogG= -0.047904 logG= -0.058524 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215632 ETOT(band)= -0.233636 trlgG= -0.294624 logG= -0.058524 TDE= -0.342805 logGD-logG0= -0.010636 tlogG= -0.046905 logG= -0.057541 Density= 0.215758 ETOT(band)= -0.233565 trlgG= -0.294624 logG= -0.058522 TDE= -0.342870 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215301 ETOT(band)= -0.233207 trlgG= -0.293015 logG= -0.057541 TDE= -0.342016 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009811 tlogG= -0.047243 logG= -0.057054 Density= 0.214363 ETOT(band)= -0.233394 trlgG= -0.292661 logG= -0.057054 TDE= -0.341685 logGD-logG0= -0.010111 tlogG= -0.047175 logG= -0.057285 Density= 0.215027 ETOT(band)= -0.233215 trlgG= -0.292585 logG= -0.057285 TDE= -0.341706 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.021886 logG= -0.026891 Density= 0.108256 ETOT(band)= -0.115184 trlgG= -0.143483 logG= -0.026891 TDE= -0.170162 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004919 tlogG= -0.021576 logG= -0.026495 Density= 0.108445 ETOT(band)= -0.114818 trlgG= -0.142805 logG= -0.026495 TDE= -0.169974 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002471 tlogG= -0.010846 logG= -0.013317 Density= 0.054031 ETOT(band)= -0.057558 trlgG= -0.071529 logG= -0.013317 TDE= -0.084949 logGD-logG0= -0.004838 tlogG= -0.021001 logG= -0.025840 Density= 0.108640 ETOT(band)= -0.114232 trlgG= -0.141650 logG= -0.025840 TDE= -0.169571 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005086 tlogG= -0.021828 logG= -0.026913 Density= 0.107730 ETOT(band)= -0.115468 trlgG= -0.143538 logG= -0.026913 TDE= -0.169935 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005026 tlogG= -0.021704 logG= -0.026731 Density= 0.107871 ETOT(band)= -0.115276 trlgG= -0.143230 logG= -0.026731 TDE= -0.169879 logGD-logG0= -0.010047 tlogG= -0.043410 logG= -0.053457 Density= 0.216150 ETOT(band)= -0.230346 trlgG= -0.286441 logG= -0.053457 TDE= -0.339946 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070838 ETOT(band)= -0.077898 trlgG= -0.097427 logG= -0.009404 TDE= -0.056929 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005174 logG= -0.006364 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007222 Density= 0.062509 ETOT(band)= -0.067504 trlgG= -0.084191 logG= -0.006364 TDE= -0.042336 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080782 ETOT(band)= -0.087601 trlgG= -0.110345 logG= -0.007222 TDE= -0.042841 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001586 tlogG= -0.006878 logG= -0.008464 Density= 0.040821 ETOT(band)= -0.042652 trlgG= -0.052794 logG= -0.008464 TDE= -0.056432 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001262 tlogG= -0.005750 logG= -0.007012 Density= 0.080591 ETOT(band)= -0.087348 trlgG= -0.109592 logG= -0.007012 TDE= -0.042722 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005858 logG= -0.007134 logGD-logG0= -0.004977 tlogG= -0.022916 logG= -0.027893 Density= 0.080601 ETOT(band)= -0.087564 trlgG= -0.110147 logG= -0.007134 TDE= -0.042787 Density= 0.214686 ETOT(band)= -0.232266 trlgG= -0.289634 logG= -0.027893 TDE= -0.170334 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009167 Density= 0.071462 ETOT(band)= -0.077301 trlgG= -0.096135 logG= -0.009167 TDE= -0.056704 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 Density= 0.080792 ETOT(band)= -0.086920 trlgG= -0.108590 logG= -0.006863 TDE= -0.042646 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 Density= 0.081008 ETOT(band)= -0.087506 trlgG= -0.110401 logG= -0.007266 TDE= -0.042871 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024008 logG= -0.029249 Density= 0.215551 ETOT(band)= -0.233736 trlgG= -0.294777 logG= -0.029249 TDE= -0.171477 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.022301 logG= -0.027261 Density= 0.214158 ETOT(band)= -0.232301 trlgG= -0.289380 logG= -0.027261 TDE= -0.170068 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005274 tlogG= -0.023807 logG= -0.029080 Density= 0.215204 ETOT(band)= -0.233638 trlgG= -0.294123 logG= -0.029080 TDE= -0.171325 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.024007 logG= -0.029211 Density= 0.216212 ETOT(band)= -0.233224 trlgG= -0.294310 logG= -0.029211 TDE= -0.171495 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004443 tlogG= -0.023748 logG= -0.028191 logGD-logG0= -0.004499 tlogG= -0.023595 logG= -0.028093 Density= 0.212532 ETOT(band)= -0.233838 trlgG= -0.292663 logG= -0.028093 TDE= -0.170596 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212996 ETOT(band)= -0.233435 trlgG= -0.291692 logG= -0.028191 TDE= -0.170680 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023495 logG= -0.028757 Density= 0.215090 ETOT(band)= -0.233201 trlgG= -0.292857 logG= -0.028757 TDE= -0.171068 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023856 logG= -0.028941 Density= 0.215364 ETOT(band)= -0.233635 trlgG= -0.294224 logG= -0.028941 TDE= -0.171011 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004784 tlogG= -0.024014 logG= -0.028798 Density= 0.321391 ETOT(band)= -0.350907 trlgG= -0.441255 logG= -0.028798 TDE= -0.171126 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.024128 logG= -0.029462 Density= 0.215582 ETOT(band)= -0.233892 trlgG= -0.295192 logG= -0.029462 TDE= -0.171508 logGD-logG0= -0.005003 tlogG= -0.021362 logG= -0.026365 Density= 0.216886 ETOT(band)= -0.229061 trlgG= -0.284249 logG= -0.026365 TDE= -0.169799 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023965 logG= -0.029055 Density= 0.214223 ETOT(band)= -0.233961 trlgG= -0.293853 logG= -0.029055 TDE= -0.170964 logGD-logG0= -0.005197 tlogG= -0.023964 logG= -0.029161 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216246 ETOT(band)= -0.233120 trlgG= -0.294078 logG= -0.029161 TDE= -0.171468 logGD-logG0= -0.004695 tlogG= -0.023376 logG= -0.028071 Density= 0.321468 ETOT(band)= -0.349855 trlgG= -0.438676 logG= -0.028071 TDE= -0.170802 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010437 tlogG= -0.047801 logG= -0.058238 Density= 0.324139 ETOT(band)= -0.349739 trlgG= -0.440961 logG= -0.058238 TDE= -0.342830 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.023895 logG= -0.028818 logGD-logG0= -0.004586 tlogG= -0.023982 logG= -0.028568 Density= 0.212715 ETOT(band)= -0.234120 trlgG= -0.293419 logG= -0.028568 TDE= -0.170734 Density= 0.213681 ETOT(band)= -0.233869 trlgG= -0.292938 logG= -0.028818 TDE= -0.170692 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.024171 logG= -0.029227 Density= 0.322251 ETOT(band)= -0.351030 trlgG= -0.441937 logG= -0.029227 TDE= -0.171133 logGD-logG0= -0.005030 tlogG= -0.024166 logG= -0.029195 logGD-logG0= -0.010715 tlogG= -0.048060 logG= -0.058774 logGD-logG0= -0.005129 tlogG= -0.022451 logG= -0.027580 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214618 ETOT(band)= -0.234038 trlgG= -0.294473 logG= -0.029195 TDE= -0.171137 Density= 0.323047 ETOT(band)= -0.350802 trlgG= -0.442289 logG= -0.058774 TDE= -0.342819 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216239 ETOT(band)= -0.231165 trlgG= -0.288563 logG= -0.027580 TDE= -0.170469 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023423 logG= -0.028646 Density= 0.216061 ETOT(band)= -0.232539 trlgG= -0.292164 logG= -0.028646 TDE= -0.171089 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.021218 logG= -0.026179 Density= 0.216219 ETOT(band)= -0.229916 trlgG= -0.285499 logG= -0.026179 TDE= -0.169706 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010482 tlogG= -0.047251 logG= -0.057733 logGD-logG0= -0.010476 tlogG= -0.046432 logG= -0.056909 Density= 0.323798 ETOT(band)= -0.348710 trlgG= -0.437522 logG= -0.056909 TDE= -0.341883 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.022977 logG= -0.028170 Density= 0.216092 ETOT(band)= -0.231964 trlgG= -0.290547 logG= -0.028170 TDE= -0.170803 Density= 0.323927 ETOT(band)= -0.349369 trlgG= -0.439610 logG= -0.057733 TDE= -0.342438 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023252 logG= -0.028046 Density= 0.213400 ETOT(band)= -0.233469 trlgG= -0.292155 logG= -0.028046 TDE= -0.170645 logGD-logG0= -0.005381 tlogG= -0.023904 logG= -0.029286 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215511 ETOT(band)= -0.233638 trlgG= -0.294505 logG= -0.029286 TDE= -0.171332 logGD-logG0= -0.010196 tlogG= -0.045654 logG= -0.055850 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323851 ETOT(band)= -0.347763 trlgG= -0.434902 logG= -0.055850 TDE= -0.341260 logGD-logG0= -0.004751 tlogG= -0.024015 logG= -0.028766 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214008 ETOT(band)= -0.233949 trlgG= -0.294070 logG= -0.028766 TDE= -0.171131 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023844 logG= -0.028690 Density= 0.213468 ETOT(band)= -0.234005 trlgG= -0.293675 logG= -0.028690 TDE= -0.170948 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008975 tlogG= -0.048114 logG= -0.057088 Density= 0.425351 ETOT(band)= -0.468038 trlgG= -0.586319 logG= -0.057088 TDE= -0.341582 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023256 logG= -0.028296 Density= 0.321529 ETOT(band)= -0.350366 trlgG= -0.439528 logG= -0.028296 TDE= -0.170755 logGD-logG0= -0.005178 tlogG= -0.023207 logG= -0.028385 logGD-logG0= -0.004663 tlogG= -0.023379 logG= -0.028042 Density= 0.214075 ETOT(band)= -0.233234 trlgG= -0.292275 logG= -0.028042 TDE= -0.170809 logGD-logG0= -0.009705 tlogG= -0.046624 logG= -0.056329 logGD-logG0= -0.005259 tlogG= -0.024095 logG= -0.029354 logGD-logG0= -0.005429 tlogG= -0.023691 logG= -0.029120 Density= 0.215278 ETOT(band)= -0.233488 trlgG= -0.293804 logG= -0.029120 TDE= -0.171154 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322863 ETOT(band)= -0.351008 trlgG= -0.442590 logG= -0.029354 TDE= -0.171321 Density= 0.214751 ETOT(band)= -0.232823 trlgG= -0.291163 logG= -0.028385 TDE= -0.170518 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322527 ETOT(band)= -0.348819 trlgG= -0.436328 logG= -0.056329 TDE= -0.341415 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005444 tlogG= -0.023368 logG= -0.028811 Density= 0.214983 ETOT(band)= -0.233227 trlgG= -0.292661 logG= -0.028811 TDE= -0.170861 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009663 tlogG= -0.047856 logG= -0.057519 Density= 0.427814 ETOT(band)= -0.467880 trlgG= -0.587724 logG= -0.057519 TDE= -0.342067 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009467 tlogG= -0.046732 logG= -0.056199 Density= 0.427689 ETOT(band)= -0.465846 trlgG= -0.581715 logG= -0.056199 TDE= -0.341019 logGD-logG0= -0.010166 tlogG= -0.048166 logG= -0.058333 Density= 0.429057 ETOT(band)= -0.468007 trlgG= -0.588505 logG= -0.058333 TDE= -0.342115 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005310 logG= -0.006518 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010273 tlogG= -0.047688 logG= -0.057962 Density= 0.428064 ETOT(band)= -0.467868 trlgG= -0.587058 logG= -0.057962 TDE= -0.341707 Density= 0.081505 ETOT(band)= -0.085644 trlgG= -0.106200 logG= -0.006518 TDE= -0.042438 logGD-logG0= -0.010298 tlogG= -0.048242 logG= -0.058540 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429782 ETOT(band)= -0.468018 trlgG= -0.589272 logG= -0.058540 TDE= -0.342321 logGD-logG0= -0.005366 tlogG= -0.023964 logG= -0.029330 Density= 0.323456 ETOT(band)= -0.350478 trlgG= -0.442040 logG= -0.029330 TDE= -0.171380 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010508 tlogG= -0.048093 logG= -0.058600 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429888 ETOT(band)= -0.467849 trlgG= -0.588946 logG= -0.058600 TDE= -0.342447 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.047975 logG= -0.058310 Density= 0.428962 ETOT(band)= -0.467968 trlgG= -0.588143 logG= -0.058310 TDE= -0.341949 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004309 tlogG= -0.024139 logG= -0.028448 logGD-logG0= -0.005216 tlogG= -0.023770 logG= -0.028986 Density= 0.212088 ETOT(band)= -0.234215 trlgG= -0.293607 logG= -0.028448 TDE= -0.170878 Density= 0.216138 ETOT(band)= -0.232921 trlgG= -0.293372 logG= -0.028986 TDE= -0.171327 logGD-logG0= -0.010789 tlogG= -0.047706 logG= -0.058495 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430826 ETOT(band)= -0.467224 trlgG= -0.588605 logG= -0.058495 TDE= -0.342572 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.046625 logG= -0.056150 Density= 0.427884 ETOT(band)= -0.466572 trlgG= -0.584327 logG= -0.056150 TDE= -0.341437 logGD-logG0= -0.004920 tlogG= -0.021313 logG= -0.026233 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162545 ETOT(band)= -0.172899 trlgG= -0.215892 logG= -0.026233 TDE= -0.169787 logGD-logG0= -0.009663 tlogG= -0.047674 logG= -0.057337 logGD-logG0= -0.004612 tlogG= -0.023900 logG= -0.028511 Density= 0.213184 ETOT(band)= -0.233715 trlgG= -0.292429 logG= -0.028511 TDE= -0.170685 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009838 tlogG= -0.047872 logG= -0.057710 logGD-logG0= -0.010675 tlogG= -0.047753 logG= -0.058428 Density= 0.430490 ETOT(band)= -0.467278 trlgG= -0.588240 logG= -0.058428 TDE= -0.342465 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428897 ETOT(band)= -0.467668 trlgG= -0.587714 logG= -0.057710 TDE= -0.342056 Density= 0.426469 ETOT(band)= -0.468079 trlgG= -0.586840 logG= -0.057337 TDE= -0.341596 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007120 logG= -0.008818 Density= 0.072186 ETOT(band)= -0.076439 trlgG= -0.094830 logG= -0.008818 TDE= -0.056591 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009953 tlogG= -0.046419 logG= -0.056372 Density= 0.429304 ETOT(band)= -0.465292 trlgG= -0.581412 logG= -0.056372 TDE= -0.341134 logGD-logG0= -0.009618 tlogG= -0.047792 logG= -0.057410 Density= 0.426969 ETOT(band)= -0.467633 trlgG= -0.585700 logG= -0.057410 TDE= -0.341299 logGD-logG0= -0.010713 tlogG= -0.048031 logG= -0.058744 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431061 ETOT(band)= -0.467509 trlgG= -0.589600 logG= -0.058744 TDE= -0.342837 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010336 tlogG= -0.046951 logG= -0.057288 Density= 0.429640 ETOT(band)= -0.466216 trlgG= -0.584106 logG= -0.057288 TDE= -0.341417 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010019 tlogG= -0.047577 logG= -0.057595 Density= 0.428381 ETOT(band)= -0.467213 trlgG= -0.586103 logG= -0.057595 TDE= -0.341753 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010734 tlogG= -0.047291 logG= -0.058026 Density= 0.430226 ETOT(band)= -0.466850 trlgG= -0.586766 logG= -0.058026 TDE= -0.342081 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010261 tlogG= -0.047591 logG= -0.057852 Density= 0.429762 ETOT(band)= -0.466866 trlgG= -0.586037 logG= -0.057852 TDE= -0.341862 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.022482 logG= -0.027410 Density= 0.214912 ETOT(band)= -0.231530 trlgG= -0.287991 logG= -0.027410 TDE= -0.170082 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.022337 logG= -0.027184 Density= 0.322698 ETOT(band)= -0.347786 trlgG= -0.433936 logG= -0.027184 TDE= -0.170151 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009990 tlogG= -0.044644 logG= -0.054634 Density= 0.324096 ETOT(band)= -0.346492 trlgG= -0.431894 logG= -0.054634 TDE= -0.340585 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.021890 logG= -0.026982 Density= 0.216495 ETOT(band)= -0.230167 trlgG= -0.286450 logG= -0.026982 TDE= -0.170130 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004807 tlogG= -0.022336 logG= -0.027143 Density= 0.214916 ETOT(band)= -0.231820 trlgG= -0.289035 logG= -0.027143 TDE= -0.170156 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081151 ETOT(band)= -0.086310 trlgG= -0.107356 logG= -0.006699 TDE= -0.042549 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009841 tlogG= -0.044644 logG= -0.054485 Density= 0.431365 ETOT(band)= -0.461830 trlgG= -0.574647 logG= -0.054485 TDE= -0.340220 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.639109864535 eV TrLogG= -407.112535444907 eV Ratio to renormalize= 1.000590368943 rho-rho_expected=-0.012980453481 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964461729604507 0.940010229872059 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007815 logG= -0.009306 Density= 0.035478 ETOT(band)= -0.038901 trlgG= -0.048597 logG= -0.009306 TDE= -0.056847 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008048 logG= -0.009457 Density= 0.035300 ETOT(band)= -0.039051 trlgG= -0.048959 logG= -0.009457 TDE= -0.056970 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012039 logG= -0.014649 Density= 0.053732 ETOT(band)= -0.058505 trlgG= -0.073674 logG= -0.014649 TDE= -0.085614 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024063 logG= -0.028398 Density= 0.106077 ETOT(band)= -0.117091 trlgG= -0.146754 logG= -0.028398 TDE= -0.170848 logGD-logG0= -0.002340 tlogG= -0.011454 logG= -0.013795 Density= 0.053709 ETOT(band)= -0.058039 trlgG= -0.072490 logG= -0.013795 TDE= -0.085273 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012088 logG= -0.014516 Density= 0.053556 ETOT(band)= -0.058514 trlgG= -0.073616 logG= -0.014516 TDE= -0.085602 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004637 tlogG= -0.023217 logG= -0.027855 Density= 0.106691 ETOT(band)= -0.116553 trlgG= -0.145439 logG= -0.027855 TDE= -0.170380 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.022472 logG= -0.027524 Density= 0.108139 ETOT(band)= -0.115682 trlgG= -0.144550 logG= -0.027524 TDE= -0.170539 logGD-logG0= -0.004362 tlogG= -0.023986 logG= -0.028348 logGD-logG0= -0.005027 tlogG= -0.022422 logG= -0.027450 Density= 0.107578 ETOT(band)= -0.115903 trlgG= -0.144423 logG= -0.027450 TDE= -0.170208 Density= 0.106128 ETOT(band)= -0.117048 trlgG= -0.146641 logG= -0.028348 TDE= -0.170811 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023513 logG= -0.028262 Density= 0.106725 ETOT(band)= -0.116746 trlgG= -0.145926 logG= -0.028262 TDE= -0.170478 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011990 logG= -0.014559 logGD-logG0= -0.004724 tlogG= -0.023002 logG= -0.027726 Density= 0.106825 ETOT(band)= -0.116423 trlgG= -0.145177 logG= -0.027726 TDE= -0.170314 Density= 0.054102 ETOT(band)= -0.058270 trlgG= -0.073542 logG= -0.014559 TDE= -0.085755 logGD-logG0= -0.002333 tlogG= -0.011890 logG= -0.014223 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053535 ETOT(band)= -0.058369 trlgG= -0.073253 logG= -0.014223 TDE= -0.085522 logGD-logG0= -0.005163 tlogG= -0.023444 logG= -0.028607 Density= 0.108063 ETOT(band)= -0.116326 trlgG= -0.146272 logG= -0.028607 TDE= -0.171140 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024086 logG= -0.029380 Density= 0.107579 ETOT(band)= -0.117012 trlgG= -0.147495 logG= -0.029380 TDE= -0.171350 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023963 logG= -0.029119 Density= 0.108158 ETOT(band)= -0.116564 trlgG= -0.147087 logG= -0.029119 TDE= -0.171490 logGD-logG0= -0.004846 tlogG= -0.023702 logG= -0.028547 Density= 0.107321 ETOT(band)= -0.116662 trlgG= -0.146375 logG= -0.028547 TDE= -0.170936 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023777 logG= -0.028946 logGD-logG0= -0.005120 tlogG= -0.022997 logG= -0.028117 Density= 0.108069 ETOT(band)= -0.116055 trlgG= -0.145497 logG= -0.028117 TDE= -0.170858 Density= 0.108109 ETOT(band)= -0.116489 trlgG= -0.146808 logG= -0.028946 TDE= -0.171360 logGD-logG0= -0.004558 tlogG= -0.024059 logG= -0.028617 Density= 0.106343 ETOT(band)= -0.117083 trlgG= -0.146768 logG= -0.028617 TDE= -0.170775 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024106 logG= -0.029115 logGD-logG0= -0.002410 tlogG= -0.010434 logG= -0.012844 Density= 0.054344 ETOT(band)= -0.057047 trlgG= -0.070692 logG= -0.012844 TDE= -0.084739 Density= 0.107320 ETOT(band)= -0.116974 trlgG= -0.147118 logG= -0.029115 TDE= -0.171110 logGD-logG0= -0.002637 tlogG= -0.011994 logG= -0.014631 Density= 0.053949 ETOT(band)= -0.058390 trlgG= -0.073661 logG= -0.014631 TDE= -0.085726 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004968 tlogG= -0.022185 logG= -0.027154 logGD-logG0= -0.005326 tlogG= -0.023918 logG= -0.029244 Density= 0.108294 ETOT(band)= -0.115377 trlgG= -0.143944 logG= -0.027154 TDE= -0.170379 logGD-logG0= -0.005302 tlogG= -0.023697 logG= -0.029000 Density= 0.107174 ETOT(band)= -0.116942 trlgG= -0.146821 logG= -0.029000 TDE= -0.170857 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.023884 logG= -0.029028 Density= 0.108179 ETOT(band)= -0.116500 trlgG= -0.146939 logG= -0.029028 TDE= -0.171443 Density= 0.107687 ETOT(band)= -0.116879 trlgG= -0.147281 logG= -0.029244 TDE= -0.171325 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023981 logG= -0.029226 logGD-logG0= -0.005146 tlogG= -0.023619 logG= -0.028764 Density= 0.108135 ETOT(band)= -0.116374 trlgG= -0.146517 logG= -0.028764 TDE= -0.171264 logGD-logG0= -0.005340 tlogG= -0.024144 logG= -0.029485 logGD-logG0= -0.005114 tlogG= -0.023230 logG= -0.028344 Density= 0.107383 ETOT(band)= -0.116996 trlgG= -0.147219 logG= -0.029226 TDE= -0.171132 Density= 0.108127 ETOT(band)= -0.116150 trlgG= -0.145854 logG= -0.028344 TDE= -0.171017 Density= 0.107745 ETOT(band)= -0.117009 trlgG= -0.147685 logG= -0.029485 TDE= -0.171518 logGD-logG0= -0.005308 tlogG= -0.024098 logG= -0.029406 Density= 0.107821 ETOT(band)= -0.116922 trlgG= -0.147561 logG= -0.029406 TDE= -0.171510 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.022749 logG= -0.027796 Density= 0.108182 ETOT(band)= -0.115819 trlgG= -0.144987 logG= -0.027796 TDE= -0.170725 logGD-logG0= -0.005125 tlogG= -0.022890 logG= -0.028016 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022864 logG= -0.027743 logGD-logG0= -0.004915 tlogG= -0.023909 logG= -0.028824 Density= 0.106706 ETOT(band)= -0.117048 trlgG= -0.146881 logG= -0.028824 TDE= -0.170861 logGD-logG0= -0.004724 tlogG= -0.023699 logG= -0.028423 Density= 0.107689 ETOT(band)= -0.116034 trlgG= -0.144909 logG= -0.027743 TDE= -0.170456 Density= 0.107558 ETOT(band)= -0.116238 trlgG= -0.145319 logG= -0.028016 TDE= -0.170528 logGD-logG0= -0.004693 tlogG= -0.023682 logG= -0.028375 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106551 ETOT(band)= -0.116890 trlgG= -0.146351 logG= -0.028375 TDE= -0.170703 logGD-logG0= -0.004897 tlogG= -0.024081 logG= -0.028978 Density= 0.107001 ETOT(band)= -0.117032 trlgG= -0.147139 logG= -0.028978 TDE= -0.171111 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106924 ETOT(band)= -0.116777 trlgG= -0.146461 logG= -0.028423 TDE= -0.170949 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007309 logG= -0.009004 logGD-logG0= -0.005283 tlogG= -0.024070 logG= -0.029353 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107879 ETOT(band)= -0.116855 trlgG= -0.147474 logG= -0.029353 TDE= -0.171505 Density= 0.035826 ETOT(band)= -0.038555 trlgG= -0.047903 logG= -0.009004 TDE= -0.056627 logGD-logG0= -0.005010 tlogG= -0.023659 logG= -0.028669 logGD-logG0= -0.005294 tlogG= -0.023882 logG= -0.029176 logGD-logG0= -0.005316 tlogG= -0.023212 logG= -0.028528 Density= 0.107622 ETOT(band)= -0.116488 trlgG= -0.146130 logG= -0.028528 TDE= -0.170858 Density= 0.106925 ETOT(band)= -0.116867 trlgG= -0.146269 logG= -0.028669 TDE= -0.170512 Density= 0.107849 ETOT(band)= -0.116748 trlgG= -0.147177 logG= -0.029176 TDE= -0.171371 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006997 logG= -0.008626 Density= 0.036174 ETOT(band)= -0.038109 trlgG= -0.047246 logG= -0.008626 TDE= -0.056520 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022865 logG= -0.027621 Density= 0.107245 ETOT(band)= -0.116174 trlgG= -0.145030 logG= -0.027621 TDE= -0.170479 logGD-logG0= -0.009503 tlogG= -0.045787 logG= -0.055290 logGD-logG0= -0.009816 tlogG= -0.048269 logG= -0.058085 Density= 0.214288 ETOT(band)= -0.234026 trlgG= -0.294357 logG= -0.058085 TDE= -0.342312 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214908 ETOT(band)= -0.232185 trlgG= -0.289967 logG= -0.055290 TDE= -0.341024 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.023592 logG= -0.028922 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009136 tlogG= -0.047657 logG= -0.056793 Density= 0.212836 ETOT(band)= -0.233902 trlgG= -0.292838 logG= -0.056793 TDE= -0.341367 Density= 0.107736 ETOT(band)= -0.116651 trlgG= -0.146761 logG= -0.028922 TDE= -0.171151 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009962 tlogG= -0.047925 logG= -0.057887 Density= 0.213862 ETOT(band)= -0.234060 trlgG= -0.294040 logG= -0.057887 TDE= -0.341983 logGD-logG0= -0.009682 tlogG= -0.047184 logG= -0.056866 Density= 0.213666 ETOT(band)= -0.233611 trlgG= -0.292772 logG= -0.056866 TDE= -0.341639 logGD-logG0= -0.009836 tlogG= -0.047185 logG= -0.057022 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.045616 logG= -0.055398 Density= 0.214262 ETOT(band)= -0.232530 trlgG= -0.290138 logG= -0.055398 TDE= -0.340767 Density= 0.213677 ETOT(band)= -0.233656 trlgG= -0.292565 logG= -0.057022 TDE= -0.341281 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009455 tlogG= -0.047473 logG= -0.056928 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214203 ETOT(band)= -0.233447 trlgG= -0.292908 logG= -0.056928 TDE= -0.341979 logGD-logG0= -0.010492 tlogG= -0.048110 logG= -0.058602 logGD-logG0= -0.010537 tlogG= -0.047775 logG= -0.058312 Density= 0.214639 ETOT(band)= -0.233954 trlgG= -0.294190 logG= -0.058312 TDE= -0.342091 logGD-logG0= -0.010339 tlogG= -0.048010 logG= -0.058349 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214948 ETOT(band)= -0.234010 trlgG= -0.294704 logG= -0.058602 TDE= -0.342468 Density= 0.214951 ETOT(band)= -0.233865 trlgG= -0.294287 logG= -0.058349 TDE= -0.342307 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009562 tlogG= -0.047960 logG= -0.057523 Density= 0.213175 ETOT(band)= -0.234116 trlgG= -0.293483 logG= -0.057523 TDE= -0.341450 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010563 tlogG= -0.047965 logG= -0.058529 Density= 0.215763 ETOT(band)= -0.233581 trlgG= -0.294648 logG= -0.058529 TDE= -0.342890 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010572 tlogG= -0.048045 logG= -0.058618 logGD-logG0= -0.010085 tlogG= -0.048056 logG= -0.058141 Density= 0.214417 ETOT(band)= -0.233974 trlgG= -0.294109 logG= -0.058141 TDE= -0.342072 Density= 0.214984 ETOT(band)= -0.234002 trlgG= -0.294731 logG= -0.058618 TDE= -0.342498 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010637 tlogG= -0.047553 logG= -0.058190 Density= 0.215571 ETOT(band)= -0.233463 trlgG= -0.294084 logG= -0.058190 TDE= -0.342569 logGD-logG0= -0.009886 tlogG= -0.045678 logG= -0.055564 logGD-logG0= -0.010401 tlogG= -0.047815 logG= -0.058216 Density= 0.215037 ETOT(band)= -0.232263 trlgG= -0.289961 logG= -0.055564 TDE= -0.340809 logGD-logG0= -0.010198 tlogG= -0.047689 logG= -0.057887 Density= 0.214539 ETOT(band)= -0.233947 trlgG= -0.294019 logG= -0.058216 TDE= -0.341968 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.047341 logG= -0.057764 Density= 0.214152 ETOT(band)= -0.233843 trlgG= -0.293270 logG= -0.057764 TDE= -0.341479 Density= 0.213843 ETOT(band)= -0.234047 trlgG= -0.293792 logG= -0.057887 TDE= -0.341725 logGD-logG0= -0.010593 tlogG= -0.047455 logG= -0.058048 Density= 0.215342 ETOT(band)= -0.233501 trlgG= -0.293841 logG= -0.058048 TDE= -0.342355 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.021581 logG= -0.026498 Density= 0.108447 ETOT(band)= -0.114826 trlgG= -0.142817 logG= -0.026498 TDE= -0.169984 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010197 tlogG= -0.046443 logG= -0.056641 Density= 0.215098 ETOT(band)= -0.232829 trlgG= -0.291594 logG= -0.056641 TDE= -0.341394 logGD-logG0= -0.004837 tlogG= -0.021006 logG= -0.025843 Density= 0.108642 ETOT(band)= -0.114239 trlgG= -0.141662 logG= -0.025843 TDE= -0.169581 logGD-logG0= -0.010684 tlogG= -0.048177 logG= -0.058862 logGD-logG0= -0.010617 tlogG= -0.047914 logG= -0.058531 logGD-logG0= -0.010635 tlogG= -0.046912 logG= -0.057548 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215637 ETOT(band)= -0.233652 trlgG= -0.294648 logG= -0.058531 TDE= -0.342825 Density= 0.215295 ETOT(band)= -0.234030 trlgG= -0.295172 logG= -0.058862 TDE= -0.342849 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215306 ETOT(band)= -0.233223 trlgG= -0.293040 logG= -0.057548 TDE= -0.342036 logGD-logG0= -0.002471 tlogG= -0.010848 logG= -0.013319 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047251 logG= -0.057060 Density= 0.214367 ETOT(band)= -0.233410 trlgG= -0.292685 logG= -0.057060 TDE= -0.341704 Density= 0.054033 ETOT(band)= -0.057562 trlgG= -0.071535 logG= -0.013319 TDE= -0.084954 logGD-logG0= -0.010110 tlogG= -0.047182 logG= -0.057292 Density= 0.215032 ETOT(band)= -0.233231 trlgG= -0.292610 logG= -0.057292 TDE= -0.341726 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021891 logG= -0.026894 Density= 0.108259 ETOT(band)= -0.115192 trlgG= -0.143495 logG= -0.026894 TDE= -0.170172 logGD-logG0= -0.005085 tlogG= -0.021832 logG= -0.026916 Density= 0.107732 ETOT(band)= -0.115476 trlgG= -0.143550 logG= -0.026916 TDE= -0.169945 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005026 tlogG= -0.021708 logG= -0.026734 Density= 0.107873 ETOT(band)= -0.115284 trlgG= -0.143242 logG= -0.026734 TDE= -0.169889 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010045 tlogG= -0.043419 logG= -0.053464 Density= 0.216155 ETOT(band)= -0.230362 trlgG= -0.286465 logG= -0.053464 TDE= -0.339965 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001281 tlogG= -0.005942 logG= -0.007223 Density= 0.080784 ETOT(band)= -0.087607 trlgG= -0.110354 logG= -0.007223 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007969 logG= -0.009405 Density= 0.070840 ETOT(band)= -0.077903 trlgG= -0.097435 logG= -0.009405 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005859 logG= -0.007135 Density= 0.080603 ETOT(band)= -0.087570 trlgG= -0.110156 logG= -0.007135 TDE= -0.042790 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004309 tlogG= -0.024143 logG= -0.028452 Density= 0.212092 ETOT(band)= -0.234232 trlgG= -0.293631 logG= -0.028452 TDE= -0.170887 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007267 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081010 ETOT(band)= -0.087512 trlgG= -0.110410 logG= -0.007267 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004443 tlogG= -0.023751 logG= -0.028194 Density= 0.213000 ETOT(band)= -0.233452 trlgG= -0.291716 logG= -0.028194 TDE= -0.170690 logGD-logG0= -0.004611 tlogG= -0.023903 logG= -0.028515 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213188 ETOT(band)= -0.233731 trlgG= -0.292452 logG= -0.028515 TDE= -0.170695 logGD-logG0= -0.001240 tlogG= -0.005623 logG= -0.006863 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080794 ETOT(band)= -0.086926 trlgG= -0.108599 logG= -0.006863 TDE= -0.042648 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024013 logG= -0.029252 Density= 0.215555 ETOT(band)= -0.233752 trlgG= -0.294802 logG= -0.029252 TDE= -0.171487 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.005751 logG= -0.007013 Density= 0.080593 ETOT(band)= -0.087354 trlgG= -0.109601 logG= -0.007013 TDE= -0.042725 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062510 ETOT(band)= -0.067508 trlgG= -0.084198 logG= -0.006365 TDE= -0.042338 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.022919 logG= -0.027896 Density= 0.214690 ETOT(band)= -0.232282 trlgG= -0.289658 logG= -0.027896 TDE= -0.170343 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023969 logG= -0.029164 Density= 0.216251 ETOT(band)= -0.233135 trlgG= -0.294102 logG= -0.029164 TDE= -0.171478 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023499 logG= -0.028760 Density= 0.215095 ETOT(band)= -0.233216 trlgG= -0.292881 logG= -0.028760 TDE= -0.171078 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007592 logG= -0.009168 logGD-logG0= -0.005272 tlogG= -0.023811 logG= -0.029084 logGD-logG0= -0.005029 tlogG= -0.024170 logG= -0.029199 Density= 0.214623 ETOT(band)= -0.234053 trlgG= -0.294497 logG= -0.029199 TDE= -0.171147 Density= 0.215209 ETOT(band)= -0.233654 trlgG= -0.294147 logG= -0.029084 TDE= -0.171335 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071464 ETOT(band)= -0.077307 trlgG= -0.096143 logG= -0.009168 TDE= -0.056707 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023775 logG= -0.028989 Density= 0.216143 ETOT(band)= -0.232936 trlgG= -0.293396 logG= -0.028989 TDE= -0.171337 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005380 tlogG= -0.023909 logG= -0.029289 Density= 0.215516 ETOT(band)= -0.233654 trlgG= -0.294529 logG= -0.029289 TDE= -0.171342 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023860 logG= -0.028945 Density= 0.215369 ETOT(band)= -0.233651 trlgG= -0.294249 logG= -0.028945 TDE= -0.171022 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.024012 logG= -0.029214 Density= 0.216217 ETOT(band)= -0.233239 trlgG= -0.294334 logG= -0.029214 TDE= -0.171505 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024018 logG= -0.028801 Density= 0.321397 ETOT(band)= -0.350931 trlgG= -0.441291 logG= -0.028801 TDE= -0.171136 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005427 tlogG= -0.023696 logG= -0.029123 logGD-logG0= -0.008975 tlogG= -0.048121 logG= -0.057095 Density= 0.215282 ETOT(band)= -0.233504 trlgG= -0.293829 logG= -0.029123 TDE= -0.171165 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425358 ETOT(band)= -0.468071 trlgG= -0.586367 logG= -0.057095 TDE= -0.341601 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005311 logG= -0.006519 Density= 0.081507 ETOT(band)= -0.085650 trlgG= -0.106209 logG= -0.006519 TDE= -0.042440 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004694 tlogG= -0.023380 logG= -0.028075 logGD-logG0= -0.009466 tlogG= -0.046739 logG= -0.056206 Density= 0.321474 ETOT(band)= -0.349879 trlgG= -0.438712 logG= -0.028075 TDE= -0.170811 Density= 0.427697 ETOT(band)= -0.465878 trlgG= -0.581764 logG= -0.056206 TDE= -0.341039 logGD-logG0= -0.005332 tlogG= -0.024133 logG= -0.029465 logGD-logG0= -0.005088 tlogG= -0.023969 logG= -0.029058 Density= 0.214228 ETOT(band)= -0.233977 trlgG= -0.293877 logG= -0.029058 TDE= -0.170974 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215587 ETOT(band)= -0.233908 trlgG= -0.295216 logG= -0.029465 TDE= -0.171518 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010195 tlogG= -0.045662 logG= -0.055857 Density= 0.323858 ETOT(band)= -0.347787 trlgG= -0.434939 logG= -0.055857 TDE= -0.341280 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006880 logG= -0.008465 Density= 0.040822 ETOT(band)= -0.042655 trlgG= -0.052798 logG= -0.008465 TDE= -0.056435 logGD-logG0= -0.010713 tlogG= -0.048068 logG= -0.058781 logGD-logG0= -0.004586 tlogG= -0.023986 logG= -0.028571 Density= 0.323054 ETOT(band)= -0.350825 trlgG= -0.442326 logG= -0.058781 TDE= -0.342839 Density= 0.212719 ETOT(band)= -0.234137 trlgG= -0.293442 logG= -0.028571 TDE= -0.170743 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010434 tlogG= -0.047811 logG= -0.058245 Density= 0.324147 ETOT(band)= -0.349762 trlgG= -0.440997 logG= -0.058245 TDE= -0.342850 logGD-logG0= -0.009618 tlogG= -0.047799 logG= -0.057417 Density= 0.426977 ETOT(band)= -0.467666 trlgG= -0.585748 logG= -0.057417 TDE= -0.341318 logGD-logG0= -0.005221 tlogG= -0.023428 logG= -0.028649 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.024176 logG= -0.029230 Density= 0.322259 ETOT(band)= -0.351054 trlgG= -0.441974 logG= -0.029230 TDE= -0.171143 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216066 ETOT(band)= -0.232555 trlgG= -0.292188 logG= -0.028649 TDE= -0.171099 logGD-logG0= -0.005128 tlogG= -0.022455 logG= -0.027583 Density= 0.216244 ETOT(band)= -0.231181 trlgG= -0.288587 logG= -0.027583 TDE= -0.170479 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.021318 logG= -0.026236 Density= 0.162548 ETOT(band)= -0.172911 trlgG= -0.215910 logG= -0.026236 TDE= -0.169796 logGD-logG0= -0.010479 tlogG= -0.047261 logG= -0.057740 Density= 0.323934 ETOT(band)= -0.349392 trlgG= -0.439646 logG= -0.057740 TDE= -0.342459 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.022982 logG= -0.028174 logGD-logG0= -0.009663 tlogG= -0.047680 logG= -0.057344 Density= 0.216097 ETOT(band)= -0.231980 trlgG= -0.290572 logG= -0.028174 TDE= -0.170813 Density= 0.426477 ETOT(band)= -0.468112 trlgG= -0.586890 logG= -0.057344 TDE= -0.341616 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.046427 logG= -0.056379 logGD-logG0= -0.005258 tlogG= -0.024099 logG= -0.029357 Density= 0.429313 ETOT(band)= -0.465324 trlgG= -0.581460 logG= -0.056379 TDE= -0.341154 Density= 0.322871 ETOT(band)= -0.351032 trlgG= -0.442627 logG= -0.029357 TDE= -0.171331 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023848 logG= -0.028693 Density= 0.213472 ETOT(band)= -0.234022 trlgG= -0.293699 logG= -0.028693 TDE= -0.170958 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010474 tlogG= -0.046442 logG= -0.056915 Density= 0.323805 ETOT(band)= -0.348733 trlgG= -0.437558 logG= -0.056915 TDE= -0.341903 logGD-logG0= -0.005365 tlogG= -0.023969 logG= -0.029333 logGD-logG0= -0.005039 tlogG= -0.023260 logG= -0.028299 Density= 0.323464 ETOT(band)= -0.350501 trlgG= -0.442077 logG= -0.029333 TDE= -0.171390 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321535 ETOT(band)= -0.350390 trlgG= -0.439565 logG= -0.028299 TDE= -0.170765 logGD-logG0= -0.004793 tlogG= -0.023257 logG= -0.028050 Density= 0.213404 ETOT(band)= -0.233485 trlgG= -0.292179 logG= -0.028050 TDE= -0.170655 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024019 logG= -0.028769 Density= 0.214012 ETOT(band)= -0.233965 trlgG= -0.294094 logG= -0.028769 TDE= -0.171140 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.046633 logG= -0.056336 Density= 0.322534 ETOT(band)= -0.348843 trlgG= -0.436363 logG= -0.056336 TDE= -0.341434 logGD-logG0= -0.004662 tlogG= -0.023383 logG= -0.028046 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214079 ETOT(band)= -0.233250 trlgG= -0.292300 logG= -0.028046 TDE= -0.170819 logGD-logG0= -0.005177 tlogG= -0.023210 logG= -0.028388 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009661 tlogG= -0.047864 logG= -0.057525 Density= 0.214756 ETOT(band)= -0.232839 trlgG= -0.291188 logG= -0.028388 TDE= -0.170528 Density= 0.427823 ETOT(band)= -0.467912 trlgG= -0.587773 logG= -0.057525 TDE= -0.342086 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023371 logG= -0.028814 Density= 0.214988 ETOT(band)= -0.233242 trlgG= -0.292685 logG= -0.028814 TDE= -0.170871 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007122 logG= -0.008819 Density= 0.072188 ETOT(band)= -0.076445 trlgG= -0.094838 logG= -0.008819 TDE= -0.056594 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010165 tlogG= -0.048175 logG= -0.058339 Density= 0.429067 ETOT(band)= -0.468039 trlgG= -0.588554 logG= -0.058339 TDE= -0.342134 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.022305 logG= -0.027265 logGD-logG0= -0.010297 tlogG= -0.048250 logG= -0.058547 Density= 0.429792 ETOT(band)= -0.468050 trlgG= -0.589322 logG= -0.058547 TDE= -0.342342 Density= 0.214162 ETOT(band)= -0.232317 trlgG= -0.289404 logG= -0.027265 TDE= -0.170078 logGD-logG0= -0.010674 tlogG= -0.047760 logG= -0.058434 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009524 tlogG= -0.046633 logG= -0.056157 Density= 0.430499 ETOT(band)= -0.467309 trlgG= -0.588290 logG= -0.058434 TDE= -0.342486 Density= 0.427892 ETOT(band)= -0.466605 trlgG= -0.584376 logG= -0.056157 TDE= -0.341457 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009837 tlogG= -0.047880 logG= -0.057717 logGD-logG0= -0.010506 tlogG= -0.048100 logG= -0.058607 Density= 0.429898 ETOT(band)= -0.467881 trlgG= -0.588995 logG= -0.058607 TDE= -0.342468 logGD-logG0= -0.010272 tlogG= -0.047696 logG= -0.057968 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428073 ETOT(band)= -0.467900 trlgG= -0.587107 logG= -0.057968 TDE= -0.341727 Density= 0.428906 ETOT(band)= -0.467700 trlgG= -0.587762 logG= -0.057717 TDE= -0.342076 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010785 tlogG= -0.047716 logG= -0.058501 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430836 ETOT(band)= -0.467256 trlgG= -0.588654 logG= -0.058501 TDE= -0.342593 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.047984 logG= -0.058316 Density= 0.428971 ETOT(band)= -0.468000 trlgG= -0.588193 logG= -0.058316 TDE= -0.341969 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.044652 logG= -0.054641 Density= 0.324102 ETOT(band)= -0.346516 trlgG= -0.431930 logG= -0.054641 TDE= -0.340605 logGD-logG0= -0.004924 tlogG= -0.023898 logG= -0.028822 Density= 0.213685 ETOT(band)= -0.233886 trlgG= -0.292963 logG= -0.028822 TDE= -0.170702 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023598 logG= -0.028096 Density= 0.212536 ETOT(band)= -0.233855 trlgG= -0.292687 logG= -0.028096 TDE= -0.170605 logGD-logG0= -0.004928 tlogG= -0.022486 logG= -0.027414 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214916 ETOT(band)= -0.231546 trlgG= -0.288015 logG= -0.027414 TDE= -0.170091 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.046959 logG= -0.057294 Density= 0.429648 ETOT(band)= -0.466248 trlgG= -0.584156 logG= -0.057294 TDE= -0.341438 logGD-logG0= -0.010710 tlogG= -0.048041 logG= -0.058751 logGD-logG0= -0.010017 tlogG= -0.047585 logG= -0.057602 Density= 0.428389 ETOT(band)= -0.467245 trlgG= -0.586151 logG= -0.057602 TDE= -0.341773 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431071 ETOT(band)= -0.467540 trlgG= -0.589649 logG= -0.058751 TDE= -0.342857 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047299 logG= -0.058032 Density= 0.430236 ETOT(band)= -0.466882 trlgG= -0.586816 logG= -0.058032 TDE= -0.342102 logGD-logG0= -0.010259 tlogG= -0.047599 logG= -0.057858 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429772 ETOT(band)= -0.466897 trlgG= -0.586086 logG= -0.057858 TDE= -0.341882 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.022341 logG= -0.027188 Density= 0.322704 ETOT(band)= -0.347810 trlgG= -0.433972 logG= -0.027188 TDE= -0.170160 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.021895 logG= -0.026986 Density= 0.216499 ETOT(band)= -0.230183 trlgG= -0.286473 logG= -0.026986 TDE= -0.170140 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021367 logG= -0.026368 Density= 0.216890 ETOT(band)= -0.229077 trlgG= -0.284273 logG= -0.026368 TDE= -0.169809 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005472 logG= -0.006699 Density= 0.081153 ETOT(band)= -0.086315 trlgG= -0.107365 logG= -0.006699 TDE= -0.042551 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004806 tlogG= -0.022340 logG= -0.027147 Density= 0.214920 ETOT(band)= -0.231836 trlgG= -0.289059 logG= -0.027147 TDE= -0.170166 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.021222 logG= -0.026182 Density= 0.216224 ETOT(band)= -0.229932 trlgG= -0.285523 logG= -0.026182 TDE= -0.169716 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009839 tlogG= -0.044652 logG= -0.054491 Density= 0.431373 ETOT(band)= -0.461862 trlgG= -0.574695 logG= -0.054491 TDE= -0.340239 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.661234678773 eV TrLogG= -407.149482131502 eV Ratio to renormalize= 1.000569520676 rho-rho_expected=-0.012522323154 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 49) Finished k-point number 100 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 63) Finished k-point number 127 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964405089550481 0.939925456573686 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002334 tlogG= -0.011887 logG= -0.014221 Density= 0.053533 ETOT(band)= -0.058364 trlgG= -0.073246 logG= -0.014221 TDE= -0.085516 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022181 logG= -0.027151 Density= 0.108290 ETOT(band)= -0.115368 trlgG= -0.143931 logG= -0.027151 TDE= -0.170367 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023693 logG= -0.028996 Density= 0.107171 ETOT(band)= -0.116932 trlgG= -0.146807 logG= -0.028996 TDE= -0.170844 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.022744 logG= -0.027793 Density= 0.108179 ETOT(band)= -0.115810 trlgG= -0.144974 logG= -0.027793 TDE= -0.170713 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022886 logG= -0.028013 Density= 0.107555 ETOT(band)= -0.116229 trlgG= -0.145305 logG= -0.028013 TDE= -0.170516 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.022860 logG= -0.027618 Density= 0.107242 ETOT(band)= -0.116164 trlgG= -0.145016 logG= -0.027618 TDE= -0.170467 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.023209 logG= -0.028525 Density= 0.107618 ETOT(band)= -0.116479 trlgG= -0.146116 logG= -0.028525 TDE= -0.170846 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002472 tlogG= -0.010846 logG= -0.013318 Density= 0.054031 ETOT(band)= -0.057557 trlgG= -0.071528 logG= -0.013318 TDE= -0.084948 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002429 tlogG= -0.012086 logG= -0.014515 Density= 0.053554 ETOT(band)= -0.058509 trlgG= -0.073609 logG= -0.014515 TDE= -0.085595 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008047 logG= -0.009456 Density= 0.035300 ETOT(band)= -0.039047 trlgG= -0.048955 logG= -0.009456 TDE= -0.056966 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007814 logG= -0.009305 Density= 0.035477 ETOT(band)= -0.038898 trlgG= -0.048592 logG= -0.009305 TDE= -0.056843 logGD-logG0= -0.002639 tlogG= -0.011991 logG= -0.014630 Density= 0.053947 ETOT(band)= -0.058385 trlgG= -0.073654 logG= -0.014630 TDE= -0.085720 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002570 tlogG= -0.011988 logG= -0.014557 logGD-logG0= -0.004336 tlogG= -0.024059 logG= -0.028395 Density= 0.106075 ETOT(band)= -0.117081 trlgG= -0.146740 logG= -0.028395 TDE= -0.170836 Density= 0.054100 ETOT(band)= -0.058266 trlgG= -0.073535 logG= -0.014557 TDE= -0.085749 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001050 TDE= -0.007049 logGD-logG0= -0.002611 tlogG= -0.012037 logG= -0.014648 Density= 0.053730 ETOT(band)= -0.058500 trlgG= -0.073667 logG= -0.014648 TDE= -0.085607 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023213 logG= -0.027852 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106688 ETOT(band)= -0.116543 trlgG= -0.145425 logG= -0.027852 TDE= -0.170368 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002341 tlogG= -0.011452 logG= -0.013793 Density= 0.053708 ETOT(band)= -0.058035 trlgG= -0.072483 logG= -0.013793 TDE= -0.085267 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.022998 logG= -0.027723 Density= 0.106823 ETOT(band)= -0.116413 trlgG= -0.145163 logG= -0.027723 TDE= -0.170301 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.023976 logG= -0.029223 Density= 0.107380 ETOT(band)= -0.116987 trlgG= -0.147205 logG= -0.029223 TDE= -0.171119 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022468 logG= -0.027521 Density= 0.108136 ETOT(band)= -0.115673 trlgG= -0.144537 logG= -0.027521 TDE= -0.170527 logGD-logG0= -0.005159 tlogG= -0.023958 logG= -0.029117 Density= 0.108154 ETOT(band)= -0.116555 trlgG= -0.147074 logG= -0.029117 TDE= -0.171478 logGD-logG0= -0.005123 tlogG= -0.022992 logG= -0.028114 Density= 0.108066 ETOT(band)= -0.116046 trlgG= -0.145484 logG= -0.028114 TDE= -0.170846 logGD-logG0= -0.009137 tlogG= -0.047649 logG= -0.056786 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002411 tlogG= -0.010432 logG= -0.012843 Density= 0.054342 ETOT(band)= -0.057042 trlgG= -0.070685 logG= -0.012843 TDE= -0.084733 Density= 0.212831 ETOT(band)= -0.233881 trlgG= -0.292810 logG= -0.056786 TDE= -0.341343 logGD-logG0= -0.005166 tlogG= -0.023439 logG= -0.028604 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.023772 logG= -0.028943 Density= 0.108105 ETOT(band)= -0.116480 trlgG= -0.146795 logG= -0.028943 TDE= -0.171348 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108060 ETOT(band)= -0.116317 trlgG= -0.146258 logG= -0.028604 TDE= -0.171127 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.024082 logG= -0.029377 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107575 ETOT(band)= -0.117002 trlgG= -0.147480 logG= -0.029377 TDE= -0.171337 logGD-logG0= -0.004363 tlogG= -0.023982 logG= -0.028345 Density= 0.106126 ETOT(band)= -0.117038 trlgG= -0.146627 logG= -0.028345 TDE= -0.170799 logGD-logG0= -0.009837 tlogG= -0.047178 logG= -0.057016 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004558 tlogG= -0.024055 logG= -0.028613 Density= 0.106341 ETOT(band)= -0.117073 trlgG= -0.146754 logG= -0.028613 TDE= -0.170763 logGD-logG0= -0.009563 tlogG= -0.047953 logG= -0.057516 Density= 0.213170 ETOT(band)= -0.234096 trlgG= -0.293454 logG= -0.057516 TDE= -0.341425 Density= 0.213671 ETOT(band)= -0.233637 trlgG= -0.292537 logG= -0.057016 TDE= -0.341257 logGD-logG0= -0.005327 tlogG= -0.023914 logG= -0.029241 Density= 0.107683 ETOT(band)= -0.116869 trlgG= -0.147267 logG= -0.029241 TDE= -0.171313 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.023697 logG= -0.028545 Density= 0.107318 ETOT(band)= -0.116653 trlgG= -0.146362 logG= -0.028545 TDE= -0.170923 logGD-logG0= -0.005146 tlogG= -0.023879 logG= -0.029025 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023614 logG= -0.028761 Density= 0.108131 ETOT(band)= -0.116365 trlgG= -0.146504 logG= -0.028761 TDE= -0.171251 logGD-logG0= -0.005116 tlogG= -0.023225 logG= -0.028341 Density= 0.108175 ETOT(band)= -0.116491 trlgG= -0.146926 logG= -0.029025 TDE= -0.171431 logGD-logG0= -0.005011 tlogG= -0.024102 logG= -0.029112 Density= 0.108123 ETOT(band)= -0.116141 trlgG= -0.145840 logG= -0.028341 TDE= -0.171004 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107316 ETOT(band)= -0.116964 trlgG= -0.147104 logG= -0.029112 TDE= -0.171097 logGD-logG0= -0.004693 tlogG= -0.023678 logG= -0.028372 Density= 0.106549 ETOT(band)= -0.116880 trlgG= -0.146337 logG= -0.028372 TDE= -0.170691 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005343 tlogG= -0.024139 logG= -0.029482 logGD-logG0= -0.005310 tlogG= -0.024093 logG= -0.029403 Density= 0.107817 ETOT(band)= -0.116912 trlgG= -0.147547 logG= -0.029403 TDE= -0.171497 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107741 ETOT(band)= -0.117000 trlgG= -0.147671 logG= -0.029482 TDE= -0.171505 logGD-logG0= -0.005011 tlogG= -0.023655 logG= -0.028666 Density= 0.106922 ETOT(band)= -0.116857 trlgG= -0.146254 logG= -0.028666 TDE= -0.170499 logGD-logG0= -0.001262 tlogG= -0.005750 logG= -0.007012 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080590 ETOT(band)= -0.087347 trlgG= -0.109590 logG= -0.007012 TDE= -0.042722 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.023905 logG= -0.028821 Density= 0.106703 ETOT(band)= -0.117038 trlgG= -0.146867 logG= -0.028821 TDE= -0.170848 logGD-logG0= -0.005029 tlogG= -0.022418 logG= -0.027447 Density= 0.107575 ETOT(band)= -0.115894 trlgG= -0.144409 logG= -0.027447 TDE= -0.170196 logGD-logG0= -0.004726 tlogG= -0.023694 logG= -0.028420 Density= 0.106921 ETOT(band)= -0.116767 trlgG= -0.146446 logG= -0.028420 TDE= -0.170937 logGD-logG0= -0.004749 tlogG= -0.023510 logG= -0.028258 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106722 ETOT(band)= -0.116736 trlgG= -0.145912 logG= -0.028258 TDE= -0.170465 logGD-logG0= -0.004898 tlogG= -0.024077 logG= -0.028975 Density= 0.106998 ETOT(band)= -0.117022 trlgG= -0.147125 logG= -0.028975 TDE= -0.171098 logGD-logG0= -0.004880 tlogG= -0.022860 logG= -0.027740 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107685 ETOT(band)= -0.116025 trlgG= -0.144896 logG= -0.027740 TDE= -0.170444 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.023877 logG= -0.029173 Density= 0.107845 ETOT(band)= -0.116739 trlgG= -0.147163 logG= -0.029173 TDE= -0.171358 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023587 logG= -0.028919 Density= 0.107732 ETOT(band)= -0.116642 trlgG= -0.146747 logG= -0.028919 TDE= -0.171139 logGD-logG0= -0.009819 tlogG= -0.048261 logG= -0.058079 Density= 0.214282 ETOT(band)= -0.234006 trlgG= -0.294329 logG= -0.058079 TDE= -0.342287 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009684 tlogG= -0.047175 logG= -0.056859 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213661 ETOT(band)= -0.233591 trlgG= -0.292744 logG= -0.056859 TDE= -0.341614 logGD-logG0= -0.009964 tlogG= -0.047916 logG= -0.057881 logGD-logG0= -0.009506 tlogG= -0.045779 logG= -0.055284 Density= 0.214902 ETOT(band)= -0.232166 trlgG= -0.289939 logG= -0.055284 TDE= -0.340999 Density= 0.213856 ETOT(band)= -0.234040 trlgG= -0.294012 logG= -0.057881 TDE= -0.341958 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009785 tlogG= -0.045607 logG= -0.055392 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214256 ETOT(band)= -0.232510 trlgG= -0.290110 logG= -0.055392 TDE= -0.340742 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010540 tlogG= -0.047766 logG= -0.058306 Density= 0.214632 ETOT(band)= -0.233935 trlgG= -0.294161 logG= -0.058306 TDE= -0.342066 logGD-logG0= -0.010495 tlogG= -0.048102 logG= -0.058596 logGD-logG0= -0.010341 tlogG= -0.048002 logG= -0.058343 Density= 0.214944 ETOT(band)= -0.233846 trlgG= -0.294259 logG= -0.058343 TDE= -0.342281 Density= 0.214941 ETOT(band)= -0.233992 trlgG= -0.294676 logG= -0.058596 TDE= -0.342443 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009457 tlogG= -0.047464 logG= -0.056921 Density= 0.214198 ETOT(band)= -0.233427 trlgG= -0.292881 logG= -0.056921 TDE= -0.341955 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007307 logG= -0.009003 Density= 0.035825 ETOT(band)= -0.038552 trlgG= -0.047898 logG= -0.009003 TDE= -0.056623 logGD-logG0= -0.010575 tlogG= -0.048037 logG= -0.058611 logGD-logG0= -0.010087 tlogG= -0.048047 logG= -0.058135 Density= 0.214410 ETOT(band)= -0.233955 trlgG= -0.294081 logG= -0.058135 TDE= -0.342048 Density= 0.214977 ETOT(band)= -0.233983 trlgG= -0.294703 logG= -0.058611 TDE= -0.342473 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001630 tlogG= -0.006996 logG= -0.008625 Density= 0.036173 ETOT(band)= -0.038106 trlgG= -0.047242 logG= -0.008625 TDE= -0.056516 logGD-logG0= -0.010424 tlogG= -0.047334 logG= -0.057758 logGD-logG0= -0.010199 tlogG= -0.047682 logG= -0.057881 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214146 ETOT(band)= -0.233824 trlgG= -0.293242 logG= -0.057758 TDE= -0.341454 logGD-logG0= -0.005285 tlogG= -0.024065 logG= -0.029350 Density= 0.107876 ETOT(band)= -0.116846 trlgG= -0.147460 logG= -0.029350 TDE= -0.171492 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005090 tlogG= -0.023965 logG= -0.029055 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213837 ETOT(band)= -0.234028 trlgG= -0.293764 logG= -0.057881 TDE= -0.341700 Density= 0.214221 ETOT(band)= -0.233958 trlgG= -0.293849 logG= -0.029055 TDE= -0.170961 logGD-logG0= -0.010641 tlogG= -0.047542 logG= -0.058184 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.047807 logG= -0.058210 Density= 0.214533 ETOT(band)= -0.233928 trlgG= -0.293991 logG= -0.058210 TDE= -0.341942 Density= 0.215564 ETOT(band)= -0.233444 trlgG= -0.294056 logG= -0.058184 TDE= -0.342544 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022450 logG= -0.027581 logGD-logG0= -0.009888 tlogG= -0.045670 logG= -0.055558 Density= 0.216237 ETOT(band)= -0.231162 trlgG= -0.288561 logG= -0.027581 TDE= -0.170467 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215031 ETOT(band)= -0.232244 trlgG= -0.289934 logG= -0.055558 TDE= -0.340784 logGD-logG0= -0.010200 tlogG= -0.046435 logG= -0.056635 logGD-logG0= -0.005194 tlogG= -0.022977 logG= -0.028171 Density= 0.216090 ETOT(band)= -0.231961 trlgG= -0.290545 logG= -0.028171 TDE= -0.170800 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215092 ETOT(band)= -0.232810 trlgG= -0.291566 logG= -0.056635 TDE= -0.341369 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010568 tlogG= -0.047955 logG= -0.058523 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010595 tlogG= -0.047447 logG= -0.058042 Density= 0.215756 ETOT(band)= -0.233562 trlgG= -0.294621 logG= -0.058523 TDE= -0.342865 Density= 0.215335 ETOT(band)= -0.233482 trlgG= -0.293813 logG= -0.058042 TDE= -0.342329 logGD-logG0= -0.010637 tlogG= -0.046905 logG= -0.057542 logGD-logG0= -0.010686 tlogG= -0.048169 logG= -0.058856 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215299 ETOT(band)= -0.233205 trlgG= -0.293012 logG= -0.057542 TDE= -0.342011 Density= 0.215288 ETOT(band)= -0.234012 trlgG= -0.295143 logG= -0.058856 TDE= -0.342823 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.021827 logG= -0.026914 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107729 ETOT(band)= -0.115467 trlgG= -0.143537 logG= -0.026914 TDE= -0.169933 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005178 tlogG= -0.023207 logG= -0.028385 Density= 0.214750 ETOT(band)= -0.232820 trlgG= -0.291160 logG= -0.028385 TDE= -0.170515 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009812 tlogG= -0.047243 logG= -0.057054 logGD-logG0= -0.010112 tlogG= -0.047174 logG= -0.057286 Density= 0.215025 ETOT(band)= -0.233212 trlgG= -0.292582 logG= -0.057286 TDE= -0.341701 logGD-logG0= -0.010622 tlogG= -0.047903 logG= -0.058525 Density= 0.215629 ETOT(band)= -0.233634 trlgG= -0.294621 logG= -0.058525 TDE= -0.342800 Density= 0.214361 ETOT(band)= -0.233391 trlgG= -0.292658 logG= -0.057054 TDE= -0.341680 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010048 tlogG= -0.043410 logG= -0.053458 Density= 0.216149 ETOT(band)= -0.230343 trlgG= -0.286438 logG= -0.053458 TDE= -0.339941 logGD-logG0= -0.004919 tlogG= -0.021576 logG= -0.026496 Density= 0.108444 ETOT(band)= -0.114817 trlgG= -0.142804 logG= -0.026496 TDE= -0.169972 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005006 tlogG= -0.021886 logG= -0.026892 Density= 0.108255 ETOT(band)= -0.115183 trlgG= -0.143482 logG= -0.026892 TDE= -0.170160 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005444 tlogG= -0.023368 logG= -0.028811 Density= 0.214981 ETOT(band)= -0.233224 trlgG= -0.292657 logG= -0.028811 TDE= -0.170859 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004839 tlogG= -0.021001 logG= -0.025840 Density= 0.108639 ETOT(band)= -0.114231 trlgG= -0.141649 logG= -0.025840 TDE= -0.169569 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005471 logG= -0.006699 Density= 0.081150 ETOT(band)= -0.086309 trlgG= -0.107355 logG= -0.006699 TDE= -0.042548 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004808 tlogG= -0.022336 logG= -0.027144 Density= 0.214914 ETOT(band)= -0.231817 trlgG= -0.289032 logG= -0.027144 TDE= -0.170153 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005027 tlogG= -0.021704 logG= -0.026731 Density= 0.107870 ETOT(band)= -0.115275 trlgG= -0.143229 logG= -0.026731 TDE= -0.169877 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001277 tlogG= -0.005858 logG= -0.007134 Density= 0.080601 ETOT(band)= -0.087563 trlgG= -0.110146 logG= -0.007134 TDE= -0.042787 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005986 logG= -0.007266 Density= 0.081007 ETOT(band)= -0.087505 trlgG= -0.110400 logG= -0.007266 TDE= -0.042871 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024139 logG= -0.028448 Density= 0.212087 ETOT(band)= -0.234211 trlgG= -0.293602 logG= -0.028448 TDE= -0.170875 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004444 tlogG= -0.023748 logG= -0.028191 Density= 0.212995 ETOT(band)= -0.233432 trlgG= -0.291688 logG= -0.028191 TDE= -0.170677 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005174 logG= -0.006364 Density= 0.062509 ETOT(band)= -0.067503 trlgG= -0.084190 logG= -0.006364 TDE= -0.042336 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001436 tlogG= -0.007968 logG= -0.009404 Density= 0.070838 ETOT(band)= -0.077896 trlgG= -0.097426 logG= -0.009404 TDE= -0.056928 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005941 logG= -0.007223 Density= 0.080781 ETOT(band)= -0.087600 trlgG= -0.110344 logG= -0.007223 TDE= -0.042841 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004499 tlogG= -0.023594 logG= -0.028093 Density= 0.212531 ETOT(band)= -0.233834 trlgG= -0.292659 logG= -0.028093 TDE= -0.170593 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005310 logG= -0.006519 Density= 0.081505 ETOT(band)= -0.085643 trlgG= -0.106200 logG= -0.006519 TDE= -0.042437 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004612 tlogG= -0.023899 logG= -0.028511 Density= 0.213183 ETOT(band)= -0.233711 trlgG= -0.292424 logG= -0.028511 TDE= -0.170683 logGD-logG0= -0.001241 tlogG= -0.005622 logG= -0.006863 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080791 ETOT(band)= -0.086919 trlgG= -0.108589 logG= -0.006863 TDE= -0.042645 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001586 tlogG= -0.006878 logG= -0.008464 Density= 0.040820 ETOT(band)= -0.042652 trlgG= -0.052793 logG= -0.008464 TDE= -0.056431 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004978 tlogG= -0.022915 logG= -0.027893 logGD-logG0= -0.001576 tlogG= -0.007591 logG= -0.009167 Density= 0.071462 ETOT(band)= -0.077300 trlgG= -0.096134 logG= -0.009167 TDE= -0.056703 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214684 ETOT(band)= -0.232263 trlgG= -0.289631 logG= -0.027893 TDE= -0.170331 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.024008 logG= -0.029249 Density= 0.215548 ETOT(band)= -0.233733 trlgG= -0.294774 logG= -0.029249 TDE= -0.171475 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008976 tlogG= -0.048113 logG= -0.057089 Density= 0.425349 ETOT(band)= -0.468030 trlgG= -0.586311 logG= -0.057089 TDE= -0.341576 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005030 tlogG= -0.024165 logG= -0.029196 Density= 0.214616 ETOT(band)= -0.234034 trlgG= -0.294469 logG= -0.029196 TDE= -0.171135 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.021313 logG= -0.026234 Density= 0.162543 ETOT(band)= -0.172897 trlgG= -0.215890 logG= -0.026234 TDE= -0.169785 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009664 tlogG= -0.047673 logG= -0.057337 Density= 0.426466 ETOT(band)= -0.468072 trlgG= -0.586832 logG= -0.057337 TDE= -0.341591 logGD-logG0= -0.009618 tlogG= -0.047792 logG= -0.057410 Density= 0.426966 ETOT(band)= -0.467626 trlgG= -0.585692 logG= -0.057410 TDE= -0.341293 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005262 tlogG= -0.023495 logG= -0.028757 Density= 0.215088 ETOT(band)= -0.233198 trlgG= -0.292854 logG= -0.028757 TDE= -0.171065 logGD-logG0= -0.005274 tlogG= -0.023806 logG= -0.029081 Density= 0.215202 ETOT(band)= -0.233635 trlgG= -0.294120 logG= -0.029081 TDE= -0.171322 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.022301 logG= -0.027262 Density= 0.214157 ETOT(band)= -0.232297 trlgG= -0.289376 logG= -0.027262 TDE= -0.170066 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005205 tlogG= -0.024007 logG= -0.029211 Density= 0.216209 ETOT(band)= -0.233221 trlgG= -0.294307 logG= -0.029211 TDE= -0.171492 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022482 logG= -0.027411 Density= 0.214910 ETOT(band)= -0.231527 trlgG= -0.287988 logG= -0.027411 TDE= -0.170079 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004784 tlogG= -0.024014 logG= -0.028798 Density= 0.321388 ETOT(band)= -0.350902 trlgG= -0.441250 logG= -0.028798 TDE= -0.171124 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.024128 logG= -0.029462 Density= 0.215580 ETOT(band)= -0.233889 trlgG= -0.295189 logG= -0.029462 TDE= -0.171505 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010716 tlogG= -0.048059 logG= -0.058775 Density= 0.323044 ETOT(band)= -0.350797 trlgG= -0.442284 logG= -0.058775 TDE= -0.342814 logGD-logG0= -0.005056 tlogG= -0.024171 logG= -0.029227 Density= 0.322248 ETOT(band)= -0.351025 trlgG= -0.441932 logG= -0.029227 TDE= -0.171130 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.047801 logG= -0.058239 logGD-logG0= -0.005198 tlogG= -0.023964 logG= -0.029162 logGD-logG0= -0.005223 tlogG= -0.023423 logG= -0.028646 Density= 0.324135 ETOT(band)= -0.349735 trlgG= -0.440957 logG= -0.058239 TDE= -0.342825 Density= 0.216243 ETOT(band)= -0.233117 trlgG= -0.294075 logG= -0.029162 TDE= -0.171466 Density= 0.216059 ETOT(band)= -0.232537 trlgG= -0.292161 logG= -0.028646 TDE= -0.171087 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001698 tlogG= -0.007120 logG= -0.008818 Density= 0.072186 ETOT(band)= -0.076439 trlgG= -0.094829 logG= -0.008818 TDE= -0.056590 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004586 tlogG= -0.023982 logG= -0.028568 Density= 0.212714 ETOT(band)= -0.234117 trlgG= -0.293414 logG= -0.028568 TDE= -0.170731 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023769 logG= -0.028987 Density= 0.216135 ETOT(band)= -0.232918 trlgG= -0.293369 logG= -0.028987 TDE= -0.171325 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005086 tlogG= -0.023856 logG= -0.028942 Density= 0.215361 ETOT(band)= -0.233632 trlgG= -0.294221 logG= -0.028942 TDE= -0.171009 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.023252 logG= -0.028047 Density= 0.213399 ETOT(band)= -0.233465 trlgG= -0.292151 logG= -0.028047 TDE= -0.170642 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.047251 logG= -0.057734 logGD-logG0= -0.005259 tlogG= -0.024095 logG= -0.029354 logGD-logG0= -0.004696 tlogG= -0.023376 logG= -0.028072 Density= 0.321465 ETOT(band)= -0.349850 trlgG= -0.438670 logG= -0.028072 TDE= -0.170799 logGD-logG0= -0.010197 tlogG= -0.045654 logG= -0.055851 Density= 0.323848 ETOT(band)= -0.347759 trlgG= -0.434898 logG= -0.055851 TDE= -0.341256 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322860 ETOT(band)= -0.351004 trlgG= -0.442585 logG= -0.029354 TDE= -0.171319 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.023895 logG= -0.028819 Density= 0.213679 ETOT(band)= -0.233866 trlgG= -0.292934 logG= -0.028819 TDE= -0.170690 Density= 0.323923 ETOT(band)= -0.349365 trlgG= -0.439606 logG= -0.057734 TDE= -0.342434 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010478 tlogG= -0.046432 logG= -0.056910 Density= 0.323794 ETOT(band)= -0.348706 trlgG= -0.437518 logG= -0.056910 TDE= -0.341878 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005382 tlogG= -0.023904 logG= -0.029286 Density= 0.215509 ETOT(band)= -0.233635 trlgG= -0.294502 logG= -0.029286 TDE= -0.171329 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023256 logG= -0.028296 Density= 0.321526 ETOT(band)= -0.350361 trlgG= -0.439523 logG= -0.028296 TDE= -0.170753 logGD-logG0= -0.004846 tlogG= -0.023844 logG= -0.028690 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213467 ETOT(band)= -0.234002 trlgG= -0.293670 logG= -0.028690 TDE= -0.170946 logGD-logG0= -0.004752 tlogG= -0.024015 logG= -0.028766 Density= 0.214006 ETOT(band)= -0.233945 trlgG= -0.294066 logG= -0.028766 TDE= -0.171128 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023690 logG= -0.029120 Density= 0.215275 ETOT(band)= -0.233485 trlgG= -0.293801 logG= -0.029120 TDE= -0.171152 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004664 tlogG= -0.023379 logG= -0.028043 Density= 0.214074 ETOT(band)= -0.233230 trlgG= -0.292272 logG= -0.028043 TDE= -0.170807 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009706 tlogG= -0.046624 logG= -0.056330 Density= 0.322525 ETOT(band)= -0.348814 trlgG= -0.436323 logG= -0.056330 TDE= -0.341410 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009664 tlogG= -0.047855 logG= -0.057519 Density= 0.427811 ETOT(band)= -0.467873 trlgG= -0.587717 logG= -0.057519 TDE= -0.342061 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009527 tlogG= -0.046624 logG= -0.056151 logGD-logG0= -0.010167 tlogG= -0.048166 logG= -0.058333 Density= 0.429053 ETOT(band)= -0.468001 trlgG= -0.588498 logG= -0.058333 TDE= -0.342110 logGD-logG0= -0.005367 tlogG= -0.023963 logG= -0.029330 Density= 0.323453 ETOT(band)= -0.350474 trlgG= -0.442035 logG= -0.029330 TDE= -0.171378 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427881 ETOT(band)= -0.466565 trlgG= -0.584320 logG= -0.056151 TDE= -0.341432 logGD-logG0= -0.010274 tlogG= -0.047688 logG= -0.057962 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428060 ETOT(band)= -0.467861 trlgG= -0.587051 logG= -0.057962 TDE= -0.341702 logGD-logG0= -0.009468 tlogG= -0.046732 logG= -0.056200 Density= 0.427686 ETOT(band)= -0.465839 trlgG= -0.581708 logG= -0.056200 TDE= -0.341014 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010508 tlogG= -0.048092 logG= -0.058601 Density= 0.429884 ETOT(band)= -0.467843 trlgG= -0.588939 logG= -0.058601 TDE= -0.342442 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.048241 logG= -0.058541 Density= 0.429778 ETOT(band)= -0.468012 trlgG= -0.589265 logG= -0.058541 TDE= -0.342316 logGD-logG0= -0.009839 tlogG= -0.047872 logG= -0.057711 Density= 0.428893 ETOT(band)= -0.467661 trlgG= -0.587707 logG= -0.057711 TDE= -0.342051 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010790 tlogG= -0.047705 logG= -0.058495 logGD-logG0= -0.010335 tlogG= -0.047975 logG= -0.058310 logGD-logG0= -0.010676 tlogG= -0.047752 logG= -0.058428 Density= 0.430485 ETOT(band)= -0.467272 trlgG= -0.588234 logG= -0.058428 TDE= -0.342460 Density= 0.430821 ETOT(band)= -0.467219 trlgG= -0.588599 logG= -0.058495 TDE= -0.342567 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428958 ETOT(band)= -0.467962 trlgG= -0.588136 logG= -0.058310 TDE= -0.341944 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.021890 logG= -0.026983 Density= 0.216493 ETOT(band)= -0.230165 trlgG= -0.286447 logG= -0.026983 TDE= -0.170128 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010337 tlogG= -0.046951 logG= -0.057288 Density= 0.429636 ETOT(band)= -0.466210 trlgG= -0.584100 logG= -0.057288 TDE= -0.341412 logGD-logG0= -0.009955 tlogG= -0.046418 logG= -0.056373 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429301 ETOT(band)= -0.465286 trlgG= -0.581405 logG= -0.056373 TDE= -0.341129 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.047291 logG= -0.058026 Density= 0.430222 ETOT(band)= -0.466845 trlgG= -0.586760 logG= -0.058026 TDE= -0.342076 logGD-logG0= -0.010020 tlogG= -0.047576 logG= -0.057596 logGD-logG0= -0.005003 tlogG= -0.021362 logG= -0.026366 Density= 0.216883 ETOT(band)= -0.229059 trlgG= -0.284247 logG= -0.026366 TDE= -0.169797 Density= 0.428377 ETOT(band)= -0.467206 trlgG= -0.586096 logG= -0.057596 TDE= -0.341748 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010715 tlogG= -0.048030 logG= -0.058745 Density= 0.431057 ETOT(band)= -0.467504 trlgG= -0.589593 logG= -0.058745 TDE= -0.342832 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010262 tlogG= -0.047591 logG= -0.057852 Density= 0.429758 ETOT(band)= -0.466860 trlgG= -0.586030 logG= -0.057852 TDE= -0.341857 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022337 logG= -0.027185 Density= 0.322695 ETOT(band)= -0.347781 trlgG= -0.433931 logG= -0.027185 TDE= -0.170148 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009991 tlogG= -0.044644 logG= -0.054635 Density= 0.324093 ETOT(band)= -0.346488 trlgG= -0.431890 logG= -0.054635 TDE= -0.340580 logGD-logG0= -0.009842 tlogG= -0.044644 logG= -0.054486 Density= 0.431361 ETOT(band)= -0.461825 trlgG= -0.574641 logG= -0.054486 TDE= -0.340215 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.021218 logG= -0.026180 Density= 0.216218 ETOT(band)= -0.229914 trlgG= -0.285497 logG= -0.026180 TDE= -0.169704 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.634847563482 eV TrLogG= -407.106595675202 eV Ratio to renormalize= 1.000599202077 rho-rho_expected=-0.013174551478 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 71) Finished k-point number 144 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964478791031180 0.940038929431337 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001491 tlogG= -0.007815 logG= -0.009306 Density= 0.035478 ETOT(band)= -0.038903 trlgG= -0.048599 logG= -0.009306 TDE= -0.056849 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024064 logG= -0.028399 Density= 0.106078 ETOT(band)= -0.117096 trlgG= -0.146760 logG= -0.028399 TDE= -0.170854 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004637 tlogG= -0.023219 logG= -0.027856 Density= 0.106692 ETOT(band)= -0.116557 trlgG= -0.145445 logG= -0.027856 TDE= -0.170386 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.022424 logG= -0.027451 Density= 0.107579 ETOT(band)= -0.115907 trlgG= -0.144429 logG= -0.027451 TDE= -0.170214 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023515 logG= -0.028263 Density= 0.106726 ETOT(band)= -0.116750 trlgG= -0.145932 logG= -0.028263 TDE= -0.170483 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001695 tlogG= -0.007309 logG= -0.009005 Density= 0.035826 ETOT(band)= -0.038557 trlgG= -0.047905 logG= -0.009005 TDE= -0.056629 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004917 tlogG= -0.021583 logG= -0.026499 Density= 0.108449 ETOT(band)= -0.114830 trlgG= -0.142822 logG= -0.026499 TDE= -0.169989 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004836 tlogG= -0.021008 logG= -0.025844 Density= 0.108644 ETOT(band)= -0.114243 trlgG= -0.141667 logG= -0.025844 TDE= -0.169586 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001050 TDE= -0.007049 logGD-logG0= -0.002333 tlogG= -0.011891 logG= -0.014223 Density= 0.053535 ETOT(band)= -0.058371 trlgG= -0.073256 logG= -0.014223 TDE= -0.085525 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012040 logG= -0.014650 Density= 0.053733 ETOT(band)= -0.058507 trlgG= -0.073677 logG= -0.014650 TDE= -0.085616 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001409 tlogG= -0.008048 logG= -0.009458 Density= 0.035301 ETOT(band)= -0.039052 trlgG= -0.048962 logG= -0.009458 TDE= -0.056972 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012089 logG= -0.014517 Density= 0.053557 ETOT(band)= -0.058516 trlgG= -0.073619 logG= -0.014517 TDE= -0.085604 logGD-logG0= -0.002340 tlogG= -0.011455 logG= -0.013795 Density= 0.053710 ETOT(band)= -0.058041 trlgG= -0.072493 logG= -0.013795 TDE= -0.085276 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011991 logG= -0.014559 logGD-logG0= -0.005168 tlogG= -0.023779 logG= -0.028947 Density= 0.054103 ETOT(band)= -0.058272 trlgG= -0.073545 logG= -0.014559 TDE= -0.085758 Density= 0.108110 ETOT(band)= -0.116493 trlgG= -0.146814 logG= -0.028947 TDE= -0.171366 logGD-logG0= -0.005156 tlogG= -0.023965 logG= -0.029120 Density= 0.108160 ETOT(band)= -0.116568 trlgG= -0.147093 logG= -0.029120 TDE= -0.171496 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.022474 logG= -0.027525 Density= 0.108140 ETOT(band)= -0.115686 trlgG= -0.144555 logG= -0.027525 TDE= -0.170544 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023446 logG= -0.028608 Density= 0.108065 ETOT(band)= -0.116330 trlgG= -0.146277 logG= -0.028608 TDE= -0.171145 logGD-logG0= -0.002637 tlogG= -0.011995 logG= -0.014632 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053950 ETOT(band)= -0.058392 trlgG= -0.073664 logG= -0.014632 TDE= -0.085729 logGD-logG0= -0.004967 tlogG= -0.022187 logG= -0.027155 logGD-logG0= -0.004558 tlogG= -0.024060 logG= -0.028618 Density= 0.106344 ETOT(band)= -0.117087 trlgG= -0.146774 logG= -0.028618 TDE= -0.170781 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108295 ETOT(band)= -0.115380 trlgG= -0.143949 logG= -0.027155 TDE= -0.170384 logGD-logG0= -0.005120 tlogG= -0.022999 logG= -0.028118 Density= 0.108071 ETOT(band)= -0.116059 trlgG= -0.145503 logG= -0.028118 TDE= -0.170863 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004362 tlogG= -0.023987 logG= -0.028349 Density= 0.106129 ETOT(band)= -0.117052 trlgG= -0.146648 logG= -0.028349 TDE= -0.170816 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023699 logG= -0.029001 Density= 0.107175 ETOT(band)= -0.116946 trlgG= -0.146827 logG= -0.029001 TDE= -0.170863 logGD-logG0= -0.005326 tlogG= -0.023919 logG= -0.029245 logGD-logG0= -0.005339 tlogG= -0.024147 logG= -0.029486 logGD-logG0= -0.005307 tlogG= -0.024101 logG= -0.029407 Density= 0.107823 ETOT(band)= -0.116926 trlgG= -0.147567 logG= -0.029407 TDE= -0.171516 Density= 0.107689 ETOT(band)= -0.116883 trlgG= -0.147287 logG= -0.029245 TDE= -0.171331 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023886 logG= -0.029029 logGD-logG0= -0.005113 tlogG= -0.023232 logG= -0.028345 Density= 0.108128 ETOT(band)= -0.116153 trlgG= -0.145859 logG= -0.028345 TDE= -0.171022 Density= 0.107746 ETOT(band)= -0.117013 trlgG= -0.147691 logG= -0.029486 TDE= -0.171524 Density= 0.108181 ETOT(band)= -0.116504 trlgG= -0.146944 logG= -0.029029 TDE= -0.171449 logGD-logG0= -0.005245 tlogG= -0.023982 logG= -0.029227 Density= 0.107385 ETOT(band)= -0.117000 trlgG= -0.147225 logG= -0.029227 TDE= -0.171137 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023621 logG= -0.028765 Density= 0.108136 ETOT(band)= -0.116377 trlgG= -0.146523 logG= -0.028765 TDE= -0.171269 logGD-logG0= -0.004845 tlogG= -0.023703 logG= -0.028549 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107322 ETOT(band)= -0.116666 trlgG= -0.146381 logG= -0.028549 TDE= -0.170941 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024088 logG= -0.029381 Density= 0.107581 ETOT(band)= -0.117016 trlgG= -0.147500 logG= -0.029381 TDE= -0.171355 logGD-logG0= -0.005125 tlogG= -0.022892 logG= -0.028017 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107559 ETOT(band)= -0.116242 trlgG= -0.145325 logG= -0.028017 TDE= -0.170534 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.024072 logG= -0.029354 logGD-logG0= -0.004724 tlogG= -0.023003 logG= -0.027727 Density= 0.107881 ETOT(band)= -0.116859 trlgG= -0.147479 logG= -0.029354 TDE= -0.171511 logGD-logG0= -0.005009 tlogG= -0.024108 logG= -0.029117 logGD-logG0= -0.004915 tlogG= -0.023910 logG= -0.028825 Density= 0.107321 ETOT(band)= -0.116978 trlgG= -0.147124 logG= -0.029117 TDE= -0.171115 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106707 ETOT(band)= -0.117052 trlgG= -0.146887 logG= -0.028825 TDE= -0.170866 logGD-logG0= -0.004693 tlogG= -0.023684 logG= -0.028376 Density= 0.106552 ETOT(band)= -0.116895 trlgG= -0.146357 logG= -0.028376 TDE= -0.170709 Density= 0.106826 ETOT(band)= -0.116427 trlgG= -0.145183 logG= -0.027727 TDE= -0.170319 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.022751 logG= -0.027797 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108184 ETOT(band)= -0.115823 trlgG= -0.144992 logG= -0.027797 TDE= -0.170730 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023701 logG= -0.028424 Density= 0.106925 ETOT(band)= -0.116781 trlgG= -0.146467 logG= -0.028424 TDE= -0.170954 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.024083 logG= -0.028979 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107003 ETOT(band)= -0.117036 trlgG= -0.147145 logG= -0.028979 TDE= -0.171116 logGD-logG0= -0.004878 tlogG= -0.022866 logG= -0.027744 Density= 0.107690 ETOT(band)= -0.116038 trlgG= -0.144915 logG= -0.027744 TDE= -0.170461 logGD-logG0= -0.004756 tlogG= -0.022867 logG= -0.027622 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107246 ETOT(band)= -0.116178 trlgG= -0.145036 logG= -0.027622 TDE= -0.170484 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023660 logG= -0.028670 Density= 0.106927 ETOT(band)= -0.116871 trlgG= -0.146275 logG= -0.028670 TDE= -0.170517 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.023214 logG= -0.028529 Density= 0.107623 ETOT(band)= -0.116492 trlgG= -0.146136 logG= -0.028529 TDE= -0.170864 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023884 logG= -0.029177 Density= 0.107851 ETOT(band)= -0.116752 trlgG= -0.147183 logG= -0.029177 TDE= -0.171376 logGD-logG0= -0.009501 tlogG= -0.045791 logG= -0.055292 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214910 ETOT(band)= -0.232193 trlgG= -0.289978 logG= -0.055292 TDE= -0.341034 logGD-logG0= -0.009135 tlogG= -0.047660 logG= -0.056795 logGD-logG0= -0.005330 tlogG= -0.023594 logG= -0.028923 Density= 0.107737 ETOT(band)= -0.116655 trlgG= -0.146766 logG= -0.028923 TDE= -0.171157 logGD-logG0= -0.009680 tlogG= -0.047188 logG= -0.056868 Density= 0.212838 ETOT(band)= -0.233910 trlgG= -0.292850 logG= -0.056795 TDE= -0.341378 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213669 ETOT(band)= -0.233619 trlgG= -0.292784 logG= -0.056868 TDE= -0.341650 logGD-logG0= -0.009781 tlogG= -0.045620 logG= -0.055400 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009815 tlogG= -0.048273 logG= -0.058088 Density= 0.214291 ETOT(band)= -0.234034 trlgG= -0.294369 logG= -0.058088 TDE= -0.342323 Density= 0.214264 ETOT(band)= -0.232538 trlgG= -0.290149 logG= -0.055400 TDE= -0.340778 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010435 logG= -0.012845 Density= 0.054345 ETOT(band)= -0.057049 trlgG= -0.070694 logG= -0.012845 TDE= -0.084742 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009836 tlogG= -0.047188 logG= -0.057024 Density= 0.213679 ETOT(band)= -0.233665 trlgG= -0.292577 logG= -0.057024 TDE= -0.341292 logGD-logG0= -0.010338 tlogG= -0.048013 logG= -0.058351 Density= 0.214954 ETOT(band)= -0.233873 trlgG= -0.294299 logG= -0.058351 TDE= -0.342318 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009960 tlogG= -0.047929 logG= -0.057889 Density= 0.213864 ETOT(band)= -0.234068 trlgG= -0.294052 logG= -0.057889 TDE= -0.341993 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010083 tlogG= -0.048060 logG= -0.058143 Density= 0.214419 ETOT(band)= -0.233982 trlgG= -0.294121 logG= -0.058143 TDE= -0.342083 logGD-logG0= -0.001629 tlogG= -0.006998 logG= -0.008626 Density= 0.036174 ETOT(band)= -0.038110 trlgG= -0.047247 logG= -0.008626 TDE= -0.056522 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010536 tlogG= -0.047778 logG= -0.058315 Density= 0.214642 ETOT(band)= -0.233962 trlgG= -0.294202 logG= -0.058315 TDE= -0.342103 logGD-logG0= -0.009453 tlogG= -0.047477 logG= -0.056930 Density= 0.214206 ETOT(band)= -0.233455 trlgG= -0.292920 logG= -0.056930 TDE= -0.341990 logGD-logG0= -0.010571 tlogG= -0.048049 logG= -0.058620 logGD-logG0= -0.004309 tlogG= -0.024144 logG= -0.028453 Density= 0.212094 ETOT(band)= -0.234241 trlgG= -0.293644 logG= -0.028453 TDE= -0.170893 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214987 ETOT(band)= -0.234010 trlgG= -0.294743 logG= -0.058620 TDE= -0.342509 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.048114 logG= -0.058605 logGD-logG0= -0.010197 tlogG= -0.047693 logG= -0.057890 Density= 0.214951 ETOT(band)= -0.234018 trlgG= -0.294716 logG= -0.058605 TDE= -0.342479 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213845 ETOT(band)= -0.234055 trlgG= -0.293804 logG= -0.057890 TDE= -0.341736 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.047344 logG= -0.057766 Density= 0.214154 ETOT(band)= -0.233851 trlgG= -0.293282 logG= -0.057766 TDE= -0.341490 logGD-logG0= -0.010561 tlogG= -0.047970 logG= -0.058531 Density= 0.215767 ETOT(band)= -0.233588 trlgG= -0.294660 logG= -0.058531 TDE= -0.342901 logGD-logG0= -0.009885 tlogG= -0.045681 logG= -0.055566 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215040 ETOT(band)= -0.232271 trlgG= -0.289973 logG= -0.055566 TDE= -0.340819 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010592 tlogG= -0.047458 logG= -0.058050 logGD-logG0= -0.004442 tlogG= -0.023753 logG= -0.028195 Density= 0.215345 ETOT(band)= -0.233509 trlgG= -0.293852 logG= -0.058050 TDE= -0.342365 Density= 0.213002 ETOT(band)= -0.233460 trlgG= -0.291728 logG= -0.028195 TDE= -0.170695 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.047819 logG= -0.058218 Density= 0.214542 ETOT(band)= -0.233955 trlgG= -0.294031 logG= -0.058218 TDE= -0.341979 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.047557 logG= -0.058192 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023905 logG= -0.028516 Density= 0.213190 ETOT(band)= -0.233740 trlgG= -0.292464 logG= -0.028516 TDE= -0.170700 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215574 ETOT(band)= -0.233470 trlgG= -0.294095 logG= -0.058192 TDE= -0.342580 logGD-logG0= -0.010683 tlogG= -0.048181 logG= -0.058864 Density= 0.215299 ETOT(band)= -0.234038 trlgG= -0.295183 logG= -0.058864 TDE= -0.342860 logGD-logG0= -0.009808 tlogG= -0.047255 logG= -0.057063 logGD-logG0= -0.010196 tlogG= -0.046447 logG= -0.056643 logGD-logG0= -0.010615 tlogG= -0.047918 logG= -0.058533 Density= 0.215640 ETOT(band)= -0.233660 trlgG= -0.294660 logG= -0.058533 TDE= -0.342836 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214370 ETOT(band)= -0.233418 trlgG= -0.292697 logG= -0.057063 TDE= -0.341715 Density= 0.215101 ETOT(band)= -0.232837 trlgG= -0.291605 logG= -0.056643 TDE= -0.341405 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007970 logG= -0.009406 Density= 0.070840 ETOT(band)= -0.077906 trlgG= -0.097439 logG= -0.009406 TDE= -0.056934 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010634 tlogG= -0.046916 logG= -0.057550 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.022920 logG= -0.027897 Density= 0.215309 ETOT(band)= -0.233231 trlgG= -0.293051 logG= -0.057550 TDE= -0.342047 Density= 0.214692 ETOT(band)= -0.232290 trlgG= -0.289670 logG= -0.027897 TDE= -0.170348 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.047186 logG= -0.057294 Density= 0.215035 ETOT(band)= -0.233239 trlgG= -0.292622 logG= -0.057294 TDE= -0.341737 logGD-logG0= -0.002471 tlogG= -0.010849 logG= -0.013319 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054033 ETOT(band)= -0.057564 trlgG= -0.071537 logG= -0.013319 TDE= -0.084956 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001576 tlogG= -0.007593 logG= -0.009169 Density= 0.071465 ETOT(band)= -0.077309 trlgG= -0.096147 logG= -0.009169 TDE= -0.056709 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009562 tlogG= -0.047963 logG= -0.057525 Density= 0.213178 ETOT(band)= -0.234125 trlgG= -0.293495 logG= -0.057525 TDE= -0.341461 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.021893 logG= -0.026895 Density= 0.108260 ETOT(band)= -0.115196 trlgG= -0.143500 logG= -0.026895 TDE= -0.170177 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005084 tlogG= -0.021833 logG= -0.026917 Density= 0.107733 ETOT(band)= -0.115480 trlgG= -0.143556 logG= -0.026917 TDE= -0.169950 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005025 tlogG= -0.021710 logG= -0.026735 Density= 0.107874 ETOT(band)= -0.115288 trlgG= -0.143248 logG= -0.026735 TDE= -0.169894 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005090 tlogG= -0.021897 logG= -0.026987 logGD-logG0= -0.010044 tlogG= -0.043422 logG= -0.053466 Density= 0.216502 ETOT(band)= -0.230190 trlgG= -0.286484 logG= -0.026987 TDE= -0.170145 Density= 0.216158 ETOT(band)= -0.230369 trlgG= -0.286476 logG= -0.053466 TDE= -0.339976 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021369 logG= -0.026369 Density= 0.216893 ETOT(band)= -0.229084 trlgG= -0.284283 logG= -0.026369 TDE= -0.169814 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005752 logG= -0.007013 Density= 0.080594 ETOT(band)= -0.087357 trlgG= -0.109605 logG= -0.007013 TDE= -0.042726 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005943 logG= -0.007223 Density= 0.080785 ETOT(band)= -0.087610 trlgG= -0.110359 logG= -0.007223 TDE= -0.042845 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005859 logG= -0.007135 Density= 0.080604 ETOT(band)= -0.087573 trlgG= -0.110161 logG= -0.007135 TDE= -0.042791 logGD-logG0= -0.001279 tlogG= -0.005987 logG= -0.007267 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081011 ETOT(band)= -0.087515 trlgG= -0.110414 logG= -0.007267 TDE= -0.042875 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005624 logG= -0.006864 Density= 0.080795 ETOT(band)= -0.086929 trlgG= -0.108603 logG= -0.006864 TDE= -0.042650 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024015 logG= -0.029253 Density= 0.215559 ETOT(band)= -0.233759 trlgG= -0.294813 logG= -0.029253 TDE= -0.171493 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023814 logG= -0.029085 Density= 0.215212 ETOT(band)= -0.233662 trlgG= -0.294159 logG= -0.029085 TDE= -0.171340 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023861 logG= -0.028946 Density= 0.215372 ETOT(band)= -0.233659 trlgG= -0.294260 logG= -0.028946 TDE= -0.171027 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.024014 logG= -0.029215 Density= 0.216220 ETOT(band)= -0.233247 trlgG= -0.294345 logG= -0.029215 TDE= -0.171510 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024135 logG= -0.029466 Density= 0.215590 ETOT(band)= -0.233916 trlgG= -0.295228 logG= -0.029466 TDE= -0.171524 logGD-logG0= -0.005260 tlogG= -0.023501 logG= -0.028761 Density= 0.215097 ETOT(band)= -0.233224 trlgG= -0.292893 logG= -0.028761 TDE= -0.171083 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024020 logG= -0.028803 logGD-logG0= -0.010432 tlogG= -0.047815 logG= -0.058247 Density= 0.321402 ETOT(band)= -0.350943 trlgG= -0.441309 logG= -0.028803 TDE= -0.171141 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324152 ETOT(band)= -0.349773 trlgG= -0.441014 logG= -0.058247 TDE= -0.342861 logGD-logG0= -0.001189 tlogG= -0.005176 logG= -0.006365 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023971 logG= -0.029059 Density= 0.214231 ETOT(band)= -0.233986 trlgG= -0.293889 logG= -0.029059 TDE= -0.170979 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062511 ETOT(band)= -0.067511 trlgG= -0.084201 logG= -0.006365 TDE= -0.042340 logGD-logG0= -0.005128 tlogG= -0.022457 logG= -0.027584 Density= 0.216247 ETOT(band)= -0.231188 trlgG= -0.288598 logG= -0.027584 TDE= -0.170485 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005220 tlogG= -0.023430 logG= -0.028650 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023987 logG= -0.028572 Density= 0.212721 ETOT(band)= -0.234146 trlgG= -0.293454 logG= -0.028572 TDE= -0.170748 logGD-logG0= -0.005054 tlogG= -0.024177 logG= -0.029231 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322263 ETOT(band)= -0.351066 trlgG= -0.441991 logG= -0.029231 TDE= -0.171148 Density= 0.216069 ETOT(band)= -0.232563 trlgG= -0.292199 logG= -0.028650 TDE= -0.171104 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023971 logG= -0.029165 Density= 0.216254 ETOT(band)= -0.233143 trlgG= -0.294113 logG= -0.029165 TDE= -0.171484 logGD-logG0= -0.005028 tlogG= -0.024172 logG= -0.029200 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214626 ETOT(band)= -0.234061 trlgG= -0.294509 logG= -0.029200 TDE= -0.171152 logGD-logG0= -0.004844 tlogG= -0.023850 logG= -0.028694 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213475 ETOT(band)= -0.234030 trlgG= -0.293711 logG= -0.028694 TDE= -0.170964 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004749 tlogG= -0.024021 logG= -0.028770 Density= 0.214015 ETOT(band)= -0.233973 trlgG= -0.294106 logG= -0.028770 TDE= -0.171146 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010711 tlogG= -0.048072 logG= -0.058783 logGD-logG0= -0.010194 tlogG= -0.045665 logG= -0.055859 logGD-logG0= -0.005177 tlogG= -0.023212 logG= -0.028389 Density= 0.214759 ETOT(band)= -0.232847 trlgG= -0.291200 logG= -0.028389 TDE= -0.170533 Density= 0.323059 ETOT(band)= -0.350837 trlgG= -0.442344 logG= -0.058783 TDE= -0.342850 logGD-logG0= -0.004694 tlogG= -0.023382 logG= -0.028076 Density= 0.321478 ETOT(band)= -0.349892 trlgG= -0.438729 logG= -0.028076 TDE= -0.170817 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323862 ETOT(band)= -0.347798 trlgG= -0.434955 logG= -0.055859 TDE= -0.341291 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010477 tlogG= -0.047265 logG= -0.057742 Density= 0.323939 ETOT(band)= -0.349404 trlgG= -0.439663 logG= -0.057742 TDE= -0.342469 logGD-logG0= -0.005214 tlogG= -0.023777 logG= -0.028991 Density= 0.216146 ETOT(band)= -0.232944 trlgG= -0.293407 logG= -0.028991 TDE= -0.171343 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023373 logG= -0.028816 Density= 0.214991 ETOT(band)= -0.233250 trlgG= -0.292697 logG= -0.028816 TDE= -0.170877 logGD-logG0= -0.005258 tlogG= -0.024101 logG= -0.029359 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322875 ETOT(band)= -0.351044 trlgG= -0.442645 logG= -0.029359 TDE= -0.171337 logGD-logG0= -0.004498 tlogG= -0.023600 logG= -0.028098 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212538 ETOT(band)= -0.233864 trlgG= -0.292699 logG= -0.028098 TDE= -0.170610 logGD-logG0= -0.005039 tlogG= -0.023261 logG= -0.028300 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321539 ETOT(band)= -0.350402 trlgG= -0.439582 logG= -0.028300 TDE= -0.170771 logGD-logG0= -0.005191 tlogG= -0.022984 logG= -0.028175 logGD-logG0= -0.001585 tlogG= -0.006880 logG= -0.008465 Density= 0.216100 ETOT(band)= -0.231987 trlgG= -0.290583 logG= -0.028175 TDE= -0.170818 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040822 ETOT(band)= -0.042657 trlgG= -0.052800 logG= -0.008465 TDE= -0.056436 logGD-logG0= -0.005364 tlogG= -0.023971 logG= -0.029335 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323469 ETOT(band)= -0.350513 trlgG= -0.442094 logG= -0.029335 TDE= -0.171396 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023258 logG= -0.028051 Density= 0.213406 ETOT(band)= -0.233494 trlgG= -0.292191 logG= -0.028051 TDE= -0.170660 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010472 tlogG= -0.046446 logG= -0.056918 Density= 0.323809 ETOT(band)= -0.348745 trlgG= -0.437575 logG= -0.056918 TDE= -0.341913 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023912 logG= -0.029290 Density= 0.215519 ETOT(band)= -0.233661 trlgG= -0.294541 logG= -0.029290 TDE= -0.171348 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.023385 logG= -0.028047 Density= 0.214082 ETOT(band)= -0.233258 trlgG= -0.292311 logG= -0.028047 TDE= -0.170824 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005426 tlogG= -0.023698 logG= -0.029124 Density= 0.215286 ETOT(band)= -0.233512 trlgG= -0.293840 logG= -0.029124 TDE= -0.171170 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009702 tlogG= -0.046636 logG= -0.056338 Density= 0.322538 ETOT(band)= -0.348855 trlgG= -0.436380 logG= -0.056338 TDE= -0.341445 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008974 tlogG= -0.048124 logG= -0.057098 Density= 0.425363 ETOT(band)= -0.468088 trlgG= -0.586391 logG= -0.057098 TDE= -0.341611 logGD-logG0= -0.009466 tlogG= -0.046742 logG= -0.056208 Density= 0.427702 ETOT(band)= -0.465895 trlgG= -0.581788 logG= -0.056208 TDE= -0.341050 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010505 tlogG= -0.048104 logG= -0.058609 Density= 0.429904 ETOT(band)= -0.467897 trlgG= -0.589019 logG= -0.058609 TDE= -0.342479 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047884 logG= -0.057719 logGD-logG0= -0.010272 tlogG= -0.047699 logG= -0.057971 logGD-logG0= -0.009522 tlogG= -0.046636 logG= -0.056159 Density= 0.427897 ETOT(band)= -0.466621 trlgG= -0.584399 logG= -0.056159 TDE= -0.341467 logGD-logG0= -0.010296 tlogG= -0.048253 logG= -0.058549 Density= 0.428912 ETOT(band)= -0.467716 trlgG= -0.587785 logG= -0.057719 TDE= -0.342086 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428078 ETOT(band)= -0.467917 trlgG= -0.587130 logG= -0.057971 TDE= -0.341738 Density= 0.429798 ETOT(band)= -0.468066 trlgG= -0.589346 logG= -0.058549 TDE= -0.342353 logGD-logG0= -0.009660 tlogG= -0.047868 logG= -0.057528 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427828 ETOT(band)= -0.467929 trlgG= -0.587797 logG= -0.057528 TDE= -0.342097 logGD-logG0= -0.010164 tlogG= -0.048178 logG= -0.058342 Density= 0.429072 ETOT(band)= -0.468055 trlgG= -0.588577 logG= -0.058342 TDE= -0.342145 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047764 logG= -0.058437 logGD-logG0= -0.004924 tlogG= -0.023899 logG= -0.028823 logGD-logG0= -0.004918 tlogG= -0.021319 logG= -0.026237 Density= 0.162551 ETOT(band)= -0.172916 trlgG= -0.215918 logG= -0.026237 TDE= -0.169801 Density= 0.430505 ETOT(band)= -0.467325 trlgG= -0.588313 logG= -0.058437 TDE= -0.342497 Density= 0.213687 ETOT(band)= -0.233894 trlgG= -0.292975 logG= -0.028823 TDE= -0.170708 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009617 tlogG= -0.047802 logG= -0.057419 Density= 0.426982 ETOT(band)= -0.467683 trlgG= -0.585772 logG= -0.057419 TDE= -0.341329 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047589 logG= -0.057605 Density= 0.428395 ETOT(band)= -0.467261 trlgG= -0.586175 logG= -0.057605 TDE= -0.341783 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010783 tlogG= -0.047720 logG= -0.058503 Density= 0.430842 ETOT(band)= -0.467271 trlgG= -0.588677 logG= -0.058503 TDE= -0.342604 logGD-logG0= -0.009951 tlogG= -0.046431 logG= -0.056381 logGD-logG0= -0.010332 tlogG= -0.047987 logG= -0.058319 Density= 0.428977 ETOT(band)= -0.468016 trlgG= -0.588217 logG= -0.058319 TDE= -0.341980 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429318 ETOT(band)= -0.465340 trlgG= -0.581483 logG= -0.056381 TDE= -0.341164 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010708 tlogG= -0.048045 logG= -0.058753 logGD-logG0= -0.001208 tlogG= -0.005312 logG= -0.006519 Density= 0.431078 ETOT(band)= -0.467556 trlgG= -0.589672 logG= -0.058753 TDE= -0.342868 logGD-logG0= -0.010334 tlogG= -0.046963 logG= -0.057297 Density= 0.081508 ETOT(band)= -0.085653 trlgG= -0.106213 logG= -0.006519 TDE= -0.042441 Density= 0.429654 ETOT(band)= -0.466264 trlgG= -0.584179 logG= -0.057297 TDE= -0.341449 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010732 tlogG= -0.047302 logG= -0.058034 Density= 0.430242 ETOT(band)= -0.466898 trlgG= -0.586839 logG= -0.058034 TDE= -0.342113 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010258 tlogG= -0.047602 logG= -0.057861 Density= 0.429777 ETOT(band)= -0.466913 trlgG= -0.586110 logG= -0.057861 TDE= -0.341893 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.022343 logG= -0.027189 Density= 0.322708 ETOT(band)= -0.347822 trlgG= -0.433989 logG= -0.027189 TDE= -0.170166 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005473 logG= -0.006700 Density= 0.081154 ETOT(band)= -0.086318 trlgG= -0.107369 logG= -0.006700 TDE= -0.042553 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009988 tlogG= -0.044655 logG= -0.054643 Density= 0.324107 ETOT(band)= -0.346527 trlgG= -0.431947 logG= -0.054643 TDE= -0.340615 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007123 logG= -0.008819 Density= 0.072189 ETOT(band)= -0.076447 trlgG= -0.094841 logG= -0.008819 TDE= -0.056596 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004806 tlogG= -0.022342 logG= -0.027148 Density= 0.214922 ETOT(band)= -0.231844 trlgG= -0.289071 logG= -0.027148 TDE= -0.170171 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009663 tlogG= -0.047683 logG= -0.057346 Density= 0.426482 ETOT(band)= -0.468129 trlgG= -0.586914 logG= -0.057346 TDE= -0.341626 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.022307 logG= -0.027266 Density= 0.214164 ETOT(band)= -0.232325 trlgG= -0.289416 logG= -0.027266 TDE= -0.170083 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.022487 logG= -0.027415 Density= 0.214919 ETOT(band)= -0.231554 trlgG= -0.288026 logG= -0.027415 TDE= -0.170097 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021224 logG= -0.026183 Density= 0.216227 ETOT(band)= -0.229940 trlgG= -0.285533 logG= -0.026183 TDE= -0.169721 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009838 tlogG= -0.044656 logG= -0.054493 Density= 0.431379 ETOT(band)= -0.461878 trlgG= -0.574717 logG= -0.054493 TDE= -0.340250 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.672457783225 eV TrLogG= -407.167579480049 eV Ratio to renormalize= 1.000556449481 rho-rho_expected=-0.012235080367 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964439676937146 0.939987777669631 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001050 TDE= -0.007049 logGD-logG0= -0.002610 tlogG= -0.012039 logG= -0.014649 Density= 0.053732 ETOT(band)= -0.058505 trlgG= -0.073674 logG= -0.014649 TDE= -0.085614 logGD-logG0= -0.002428 tlogG= -0.012088 logG= -0.014517 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053556 ETOT(band)= -0.058514 trlgG= -0.073616 logG= -0.014517 TDE= -0.085602 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011890 logG= -0.014223 Density= 0.053535 ETOT(band)= -0.058370 trlgG= -0.073254 logG= -0.014223 TDE= -0.085522 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002340 tlogG= -0.011454 logG= -0.013795 logGD-logG0= -0.002568 tlogG= -0.011990 logG= -0.014559 Density= 0.053709 ETOT(band)= -0.058040 trlgG= -0.072490 logG= -0.013795 TDE= -0.085274 Density= 0.054102 ETOT(band)= -0.058270 trlgG= -0.073542 logG= -0.014559 TDE= -0.085756 logGD-logG0= -0.001410 tlogG= -0.008048 logG= -0.009458 Density= 0.035300 ETOT(band)= -0.039051 trlgG= -0.048960 logG= -0.009458 TDE= -0.056971 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.022473 logG= -0.027524 logGD-logG0= -0.001491 tlogG= -0.007815 logG= -0.009306 Density= 0.108139 ETOT(band)= -0.115682 trlgG= -0.144551 logG= -0.027524 TDE= -0.170540 Density= 0.035478 ETOT(band)= -0.038902 trlgG= -0.048597 logG= -0.009306 TDE= -0.056847 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024063 logG= -0.028398 Density= 0.106077 ETOT(band)= -0.117092 trlgG= -0.146755 logG= -0.028398 TDE= -0.170849 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023444 logG= -0.028607 Density= 0.108064 ETOT(band)= -0.116327 trlgG= -0.146273 logG= -0.028607 TDE= -0.171141 logGD-logG0= -0.002637 tlogG= -0.011994 logG= -0.014631 Density= 0.053949 ETOT(band)= -0.058390 trlgG= -0.073661 logG= -0.014631 TDE= -0.085727 logGD-logG0= -0.005294 tlogG= -0.024086 logG= -0.029380 Density= 0.107579 ETOT(band)= -0.117012 trlgG= -0.147495 logG= -0.029380 TDE= -0.171351 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023777 logG= -0.028946 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108109 ETOT(band)= -0.116490 trlgG= -0.146809 logG= -0.028946 TDE= -0.171361 logGD-logG0= -0.005120 tlogG= -0.022997 logG= -0.028117 Density= 0.108070 ETOT(band)= -0.116056 trlgG= -0.145498 logG= -0.028117 TDE= -0.170859 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004968 tlogG= -0.022186 logG= -0.027154 Density= 0.108294 ETOT(band)= -0.115377 trlgG= -0.143944 logG= -0.027154 TDE= -0.170380 logGD-logG0= -0.005156 tlogG= -0.023963 logG= -0.029119 logGD-logG0= -0.004362 tlogG= -0.023986 logG= -0.028348 Density= 0.106128 ETOT(band)= -0.117049 trlgG= -0.146642 logG= -0.028348 TDE= -0.170812 Density= 0.108159 ETOT(band)= -0.116565 trlgG= -0.147088 logG= -0.029119 TDE= -0.171491 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004558 tlogG= -0.024059 logG= -0.028617 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106343 ETOT(band)= -0.117084 trlgG= -0.146769 logG= -0.028617 TDE= -0.170776 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004637 tlogG= -0.023217 logG= -0.027855 Density= 0.106691 ETOT(band)= -0.116554 trlgG= -0.145440 logG= -0.027855 TDE= -0.170381 logGD-logG0= -0.005009 tlogG= -0.024106 logG= -0.029116 Density= 0.107320 ETOT(band)= -0.116975 trlgG= -0.147119 logG= -0.029116 TDE= -0.171111 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023885 logG= -0.029028 Density= 0.108179 ETOT(band)= -0.116501 trlgG= -0.146940 logG= -0.029028 TDE= -0.171444 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.024099 logG= -0.029406 Density= 0.107821 ETOT(band)= -0.116922 trlgG= -0.147562 logG= -0.029406 TDE= -0.171511 logGD-logG0= -0.005114 tlogG= -0.023230 logG= -0.028344 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.022423 logG= -0.027450 Density= 0.107578 ETOT(band)= -0.115904 trlgG= -0.144424 logG= -0.027450 TDE= -0.170209 logGD-logG0= -0.004846 tlogG= -0.023702 logG= -0.028548 Density= 0.108127 ETOT(band)= -0.116150 trlgG= -0.145854 logG= -0.028344 TDE= -0.171018 Density= 0.107321 ETOT(band)= -0.116663 trlgG= -0.146376 logG= -0.028548 TDE= -0.170936 logGD-logG0= -0.005010 tlogG= -0.023659 logG= -0.028669 logGD-logG0= -0.005145 tlogG= -0.023619 logG= -0.028764 Density= 0.108135 ETOT(band)= -0.116374 trlgG= -0.146518 logG= -0.028764 TDE= -0.171265 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022864 logG= -0.027743 Density= 0.107689 ETOT(band)= -0.116035 trlgG= -0.144910 logG= -0.027743 TDE= -0.170457 logGD-logG0= -0.004693 tlogG= -0.023682 logG= -0.028375 Density= 0.106551 ETOT(band)= -0.116891 trlgG= -0.146352 logG= -0.028375 TDE= -0.170704 logGD-logG0= -0.005326 tlogG= -0.023918 logG= -0.029244 Density= 0.107687 ETOT(band)= -0.116879 trlgG= -0.147282 logG= -0.029244 TDE= -0.171326 logGD-logG0= -0.005302 tlogG= -0.023697 logG= -0.029000 Density= 0.107174 ETOT(band)= -0.116942 trlgG= -0.146822 logG= -0.029000 TDE= -0.170858 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024145 logG= -0.029485 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107745 ETOT(band)= -0.117010 trlgG= -0.147686 logG= -0.029485 TDE= -0.171519 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106926 ETOT(band)= -0.116868 trlgG= -0.146270 logG= -0.028669 TDE= -0.170512 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023514 logG= -0.028262 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106725 ETOT(band)= -0.116746 trlgG= -0.145927 logG= -0.028262 TDE= -0.170478 logGD-logG0= -0.004724 tlogG= -0.023002 logG= -0.027726 logGD-logG0= -0.005125 tlogG= -0.022891 logG= -0.028016 Density= 0.106825 ETOT(band)= -0.116424 trlgG= -0.145178 logG= -0.027726 TDE= -0.170315 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107558 ETOT(band)= -0.116239 trlgG= -0.145320 logG= -0.028016 TDE= -0.170529 logGD-logG0= -0.005245 tlogG= -0.023981 logG= -0.029226 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107384 ETOT(band)= -0.116997 trlgG= -0.147220 logG= -0.029226 TDE= -0.171133 logGD-logG0= -0.004915 tlogG= -0.023909 logG= -0.028824 logGD-logG0= -0.004897 tlogG= -0.024081 logG= -0.028978 Density= 0.107001 ETOT(band)= -0.117033 trlgG= -0.147140 logG= -0.028978 TDE= -0.171111 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023699 logG= -0.028423 Density= 0.106706 ETOT(band)= -0.117049 trlgG= -0.146882 logG= -0.028824 TDE= -0.170862 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106924 ETOT(band)= -0.116778 trlgG= -0.146462 logG= -0.028423 TDE= -0.170950 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023882 logG= -0.029176 Density= 0.107850 ETOT(band)= -0.116749 trlgG= -0.147178 logG= -0.029176 TDE= -0.171371 logGD-logG0= -0.005316 tlogG= -0.023213 logG= -0.028528 Density= 0.107622 ETOT(band)= -0.116488 trlgG= -0.146131 logG= -0.028528 TDE= -0.170859 logGD-logG0= -0.005047 tlogG= -0.022749 logG= -0.027796 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108183 ETOT(band)= -0.115820 trlgG= -0.144987 logG= -0.027796 TDE= -0.170726 logGD-logG0= -0.004756 tlogG= -0.022865 logG= -0.027621 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107245 ETOT(band)= -0.116174 trlgG= -0.145031 logG= -0.027621 TDE= -0.170480 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009816 tlogG= -0.048270 logG= -0.058086 Density= 0.214289 ETOT(band)= -0.234027 trlgG= -0.294359 logG= -0.058086 TDE= -0.342314 logGD-logG0= -0.009681 tlogG= -0.047185 logG= -0.056866 logGD-logG0= -0.002410 tlogG= -0.010435 logG= -0.012844 Density= 0.213667 ETOT(band)= -0.233612 trlgG= -0.292774 logG= -0.056866 TDE= -0.341641 logGD-logG0= -0.009502 tlogG= -0.045788 logG= -0.055290 Density= 0.214908 ETOT(band)= -0.232187 trlgG= -0.289968 logG= -0.055290 TDE= -0.341026 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054344 ETOT(band)= -0.057047 trlgG= -0.070692 logG= -0.012844 TDE= -0.084740 logGD-logG0= -0.005330 tlogG= -0.023592 logG= -0.028922 logGD-logG0= -0.009961 tlogG= -0.047926 logG= -0.057887 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107736 ETOT(band)= -0.116652 trlgG= -0.146761 logG= -0.028922 TDE= -0.171152 logGD-logG0= -0.009136 tlogG= -0.047657 logG= -0.056793 Density= 0.212836 ETOT(band)= -0.233903 trlgG= -0.292840 logG= -0.056793 TDE= -0.341369 Density= 0.213862 ETOT(band)= -0.234061 trlgG= -0.294042 logG= -0.057887 TDE= -0.341984 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009562 tlogG= -0.047961 logG= -0.057523 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010492 tlogG= -0.048111 logG= -0.058603 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213176 ETOT(band)= -0.234118 trlgG= -0.293485 logG= -0.057523 TDE= -0.341452 Density= 0.214949 ETOT(band)= -0.234012 trlgG= -0.294706 logG= -0.058603 TDE= -0.342470 logGD-logG0= -0.010537 tlogG= -0.047775 logG= -0.058312 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047186 logG= -0.057022 Density= 0.213677 ETOT(band)= -0.233658 trlgG= -0.292567 logG= -0.057022 TDE= -0.341283 logGD-logG0= -0.010339 tlogG= -0.048010 logG= -0.058349 Density= 0.214639 ETOT(band)= -0.233955 trlgG= -0.294191 logG= -0.058312 TDE= -0.342093 logGD-logG0= -0.005282 tlogG= -0.024070 logG= -0.029353 Density= 0.107880 ETOT(band)= -0.116855 trlgG= -0.147474 logG= -0.029353 TDE= -0.171506 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214952 ETOT(band)= -0.233866 trlgG= -0.294289 logG= -0.058349 TDE= -0.342309 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.047474 logG= -0.056928 Density= 0.214204 ETOT(band)= -0.233448 trlgG= -0.292910 logG= -0.056928 TDE= -0.341981 logGD-logG0= -0.010572 tlogG= -0.048046 logG= -0.058618 logGD-logG0= -0.001696 tlogG= -0.007309 logG= -0.009004 Density= 0.214985 ETOT(band)= -0.234003 trlgG= -0.294733 logG= -0.058618 TDE= -0.342500 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006997 logG= -0.008626 logGD-logG0= -0.010636 tlogG= -0.047553 logG= -0.058190 Density= 0.215571 ETOT(band)= -0.233464 trlgG= -0.294085 logG= -0.058190 TDE= -0.342571 Density= 0.036174 ETOT(band)= -0.038109 trlgG= -0.047246 logG= -0.008626 TDE= -0.056521 logGD-logG0= -0.010084 tlogG= -0.048057 logG= -0.058141 logGD-logG0= -0.010423 tlogG= -0.047342 logG= -0.057764 Density= 0.214152 ETOT(band)= -0.233844 trlgG= -0.293272 logG= -0.057764 TDE= -0.341481 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214417 ETOT(band)= -0.233976 trlgG= -0.294111 logG= -0.058141 TDE= -0.342074 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010198 tlogG= -0.047690 logG= -0.057887 Density= 0.213843 ETOT(band)= -0.234048 trlgG= -0.293794 logG= -0.057887 TDE= -0.341727 logGD-logG0= -0.010563 tlogG= -0.047966 logG= -0.058529 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215764 ETOT(band)= -0.233582 trlgG= -0.294650 logG= -0.058529 TDE= -0.342892 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035826 ETOT(band)= -0.038556 trlgG= -0.047903 logG= -0.009004 TDE= -0.056627 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010401 tlogG= -0.047815 logG= -0.058216 Density= 0.214540 ETOT(band)= -0.233948 trlgG= -0.294021 logG= -0.058216 TDE= -0.341970 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009886 tlogG= -0.045678 logG= -0.055564 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010197 tlogG= -0.046444 logG= -0.056641 Density= 0.215038 ETOT(band)= -0.232264 trlgG= -0.289963 logG= -0.055564 TDE= -0.340810 logGD-logG0= -0.010684 tlogG= -0.048178 logG= -0.058862 Density= 0.215099 ETOT(band)= -0.232830 trlgG= -0.291595 logG= -0.056641 TDE= -0.341396 Density= 0.215296 ETOT(band)= -0.234032 trlgG= -0.295173 logG= -0.058862 TDE= -0.342851 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.045617 logG= -0.055398 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214262 ETOT(band)= -0.232531 trlgG= -0.290139 logG= -0.055398 TDE= -0.340769 logGD-logG0= -0.010593 tlogG= -0.047455 logG= -0.058048 Density= 0.215342 ETOT(band)= -0.233502 trlgG= -0.293842 logG= -0.058048 TDE= -0.342356 logGD-logG0= -0.010617 tlogG= -0.047914 logG= -0.058531 Density= 0.215637 ETOT(band)= -0.233653 trlgG= -0.294650 logG= -0.058531 TDE= -0.342827 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010635 tlogG= -0.046913 logG= -0.057548 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047252 logG= -0.057061 Density= 0.215306 ETOT(band)= -0.233224 trlgG= -0.293041 logG= -0.057548 TDE= -0.342038 Density= 0.214367 ETOT(band)= -0.233412 trlgG= -0.292687 logG= -0.057061 TDE= -0.341706 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047183 logG= -0.057292 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215032 ETOT(band)= -0.233232 trlgG= -0.292612 logG= -0.057292 TDE= -0.341728 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002471 tlogG= -0.010848 logG= -0.013319 logGD-logG0= -0.005003 tlogG= -0.021891 logG= -0.026894 Density= 0.054033 ETOT(band)= -0.057562 trlgG= -0.071535 logG= -0.013319 TDE= -0.084954 Density= 0.108259 ETOT(band)= -0.115192 trlgG= -0.143495 logG= -0.026894 TDE= -0.170173 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004917 tlogG= -0.021581 logG= -0.026498 Density= 0.108448 ETOT(band)= -0.114827 trlgG= -0.142818 logG= -0.026498 TDE= -0.169985 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004837 tlogG= -0.021006 logG= -0.025843 Density= 0.108642 ETOT(band)= -0.114240 trlgG= -0.141663 logG= -0.025843 TDE= -0.169582 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005085 tlogG= -0.021832 logG= -0.026916 Density= 0.107732 ETOT(band)= -0.115476 trlgG= -0.143551 logG= -0.026916 TDE= -0.169946 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005025 tlogG= -0.021709 logG= -0.026734 Density= 0.107873 ETOT(band)= -0.115285 trlgG= -0.143243 logG= -0.026734 TDE= -0.169890 logGD-logG0= -0.010045 tlogG= -0.043419 logG= -0.053464 Density= 0.216155 ETOT(band)= -0.230363 trlgG= -0.286466 logG= -0.053464 TDE= -0.339967 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005751 logG= -0.007013 Density= 0.080593 ETOT(band)= -0.087354 trlgG= -0.109601 logG= -0.007013 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005859 logG= -0.007135 Density= 0.080603 ETOT(band)= -0.087571 trlgG= -0.110157 logG= -0.007135 TDE= -0.042790 logGD-logG0= -0.001281 tlogG= -0.005942 logG= -0.007223 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080784 ETOT(band)= -0.087608 trlgG= -0.110355 logG= -0.007223 TDE= -0.042844 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007267 Density= 0.081010 ETOT(band)= -0.087513 trlgG= -0.110411 logG= -0.007267 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005623 logG= -0.006863 Density= 0.080794 ETOT(band)= -0.086927 trlgG= -0.108600 logG= -0.006863 TDE= -0.042649 logGD-logG0= -0.005239 tlogG= -0.024013 logG= -0.029252 Density= 0.215556 ETOT(band)= -0.233753 trlgG= -0.294803 logG= -0.029252 TDE= -0.171488 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023812 logG= -0.029084 Density= 0.215210 ETOT(band)= -0.233655 trlgG= -0.294149 logG= -0.029084 TDE= -0.171336 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023499 logG= -0.028760 Density= 0.215095 ETOT(band)= -0.233218 trlgG= -0.292883 logG= -0.028760 TDE= -0.171079 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004309 tlogG= -0.024143 logG= -0.028452 Density= 0.212092 ETOT(band)= -0.234234 trlgG= -0.293633 logG= -0.028452 TDE= -0.170888 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024012 logG= -0.029214 Density= 0.216218 ETOT(band)= -0.233240 trlgG= -0.294335 logG= -0.029214 TDE= -0.171506 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.024133 logG= -0.029465 Density= 0.215588 ETOT(band)= -0.233909 trlgG= -0.295218 logG= -0.029465 TDE= -0.171519 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.022455 logG= -0.027583 Density= 0.216244 ETOT(band)= -0.231182 trlgG= -0.288589 logG= -0.027583 TDE= -0.170480 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023969 logG= -0.029164 logGD-logG0= -0.010433 tlogG= -0.047812 logG= -0.058245 Density= 0.216252 ETOT(band)= -0.233136 trlgG= -0.294104 logG= -0.029164 TDE= -0.171479 logGD-logG0= -0.004498 tlogG= -0.023598 logG= -0.028097 Density= 0.212536 ETOT(band)= -0.233856 trlgG= -0.292689 logG= -0.028097 TDE= -0.170606 Density= 0.324148 ETOT(band)= -0.349764 trlgG= -0.440999 logG= -0.058245 TDE= -0.342852 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004443 tlogG= -0.023752 logG= -0.028194 Density= 0.213000 ETOT(band)= -0.233453 trlgG= -0.291718 logG= -0.028194 TDE= -0.170691 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004586 tlogG= -0.023986 logG= -0.028571 logGD-logG0= -0.010195 tlogG= -0.045662 logG= -0.055857 logGD-logG0= -0.005054 tlogG= -0.024176 logG= -0.029230 Density= 0.322259 ETOT(band)= -0.351056 trlgG= -0.441976 logG= -0.029230 TDE= -0.171144 logGD-logG0= -0.010478 tlogG= -0.047261 logG= -0.057740 Density= 0.323935 ETOT(band)= -0.349394 trlgG= -0.439649 logG= -0.057740 TDE= -0.342460 Density= 0.212719 ETOT(band)= -0.234138 trlgG= -0.293444 logG= -0.028571 TDE= -0.170744 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023970 logG= -0.029058 Density= 0.214228 ETOT(band)= -0.233979 trlgG= -0.293879 logG= -0.029058 TDE= -0.170975 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.024019 logG= -0.028801 Density= 0.321398 ETOT(band)= -0.350933 trlgG= -0.441294 logG= -0.028801 TDE= -0.171137 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023903 logG= -0.028515 Density= 0.323859 ETOT(band)= -0.347788 trlgG= -0.434941 logG= -0.055857 TDE= -0.341282 Density= 0.213188 ETOT(band)= -0.233733 trlgG= -0.292454 logG= -0.028515 TDE= -0.170696 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023860 logG= -0.028945 logGD-logG0= -0.005220 tlogG= -0.023428 logG= -0.028649 Density= 0.215369 ETOT(band)= -0.233652 trlgG= -0.294250 logG= -0.028945 TDE= -0.171023 Density= 0.216067 ETOT(band)= -0.232556 trlgG= -0.292189 logG= -0.028649 TDE= -0.171100 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023775 logG= -0.028989 Density= 0.216144 ETOT(band)= -0.232937 trlgG= -0.293398 logG= -0.028989 TDE= -0.171338 logGD-logG0= -0.010712 tlogG= -0.048069 logG= -0.058781 logGD-logG0= -0.004924 tlogG= -0.023898 logG= -0.028822 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213685 ETOT(band)= -0.233887 trlgG= -0.292965 logG= -0.028822 TDE= -0.170703 Density= 0.323055 ETOT(band)= -0.350827 trlgG= -0.442329 logG= -0.058781 TDE= -0.342841 logGD-logG0= -0.004793 tlogG= -0.023257 logG= -0.028050 Density= 0.213404 ETOT(band)= -0.233487 trlgG= -0.292181 logG= -0.028050 TDE= -0.170656 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.024099 logG= -0.029358 Density= 0.322872 ETOT(band)= -0.351034 trlgG= -0.442629 logG= -0.029358 TDE= -0.171332 logGD-logG0= -0.005029 tlogG= -0.024170 logG= -0.029199 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214624 ETOT(band)= -0.234055 trlgG= -0.294499 logG= -0.029199 TDE= -0.171148 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.022919 logG= -0.027896 logGD-logG0= -0.005380 tlogG= -0.023910 logG= -0.029289 Density= 0.214690 ETOT(band)= -0.232283 trlgG= -0.289660 logG= -0.027896 TDE= -0.170344 Density= 0.215517 ETOT(band)= -0.233655 trlgG= -0.294531 logG= -0.029289 TDE= -0.171343 logGD-logG0= -0.004750 tlogG= -0.024019 logG= -0.028769 logGD-logG0= -0.005039 tlogG= -0.023260 logG= -0.028299 logGD-logG0= -0.010473 tlogG= -0.046442 logG= -0.056915 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321536 ETOT(band)= -0.350392 trlgG= -0.439568 logG= -0.028299 TDE= -0.170766 Density= 0.214013 ETOT(band)= -0.233966 trlgG= -0.294096 logG= -0.028769 TDE= -0.171141 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323806 ETOT(band)= -0.348735 trlgG= -0.437561 logG= -0.056915 TDE= -0.341904 logGD-logG0= -0.001585 tlogG= -0.006880 logG= -0.008465 Density= 0.040822 ETOT(band)= -0.042655 trlgG= -0.052798 logG= -0.008465 TDE= -0.056435 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009703 tlogG= -0.046633 logG= -0.056336 Density= 0.322535 ETOT(band)= -0.348845 trlgG= -0.436366 logG= -0.056336 TDE= -0.341436 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023848 logG= -0.028693 logGD-logG0= -0.005365 tlogG= -0.023969 logG= -0.029333 Density= 0.213473 ETOT(band)= -0.234023 trlgG= -0.293701 logG= -0.028693 TDE= -0.170959 Density= 0.323465 ETOT(band)= -0.350503 trlgG= -0.442079 logG= -0.029333 TDE= -0.171391 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004694 tlogG= -0.023381 logG= -0.028075 Density= 0.321475 ETOT(band)= -0.349882 trlgG= -0.438714 logG= -0.028075 TDE= -0.170812 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023211 logG= -0.028388 Density= 0.214756 ETOT(band)= -0.232840 trlgG= -0.291190 logG= -0.028388 TDE= -0.170529 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.023384 logG= -0.028046 Density= 0.214080 ETOT(band)= -0.233251 trlgG= -0.292301 logG= -0.028046 TDE= -0.170820 logGD-logG0= -0.001576 tlogG= -0.007592 logG= -0.009168 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071464 ETOT(band)= -0.077307 trlgG= -0.096144 logG= -0.009168 TDE= -0.056708 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023371 logG= -0.028815 Density= 0.214989 ETOT(band)= -0.233244 trlgG= -0.292687 logG= -0.028815 TDE= -0.170872 logGD-logG0= -0.005427 tlogG= -0.023696 logG= -0.029123 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215283 ETOT(band)= -0.233505 trlgG= -0.293831 logG= -0.029123 TDE= -0.171166 logGD-logG0= -0.009661 tlogG= -0.047865 logG= -0.057526 Density= 0.427824 ETOT(band)= -0.467915 trlgG= -0.587777 logG= -0.057526 TDE= -0.342088 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.021318 logG= -0.026236 Density= 0.162549 ETOT(band)= -0.172911 trlgG= -0.215911 logG= -0.026236 TDE= -0.169797 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.008974 tlogG= -0.048121 logG= -0.057096 Density= 0.425359 ETOT(band)= -0.468074 trlgG= -0.586371 logG= -0.057096 TDE= -0.341602 logGD-logG0= -0.010164 tlogG= -0.048175 logG= -0.058340 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429068 ETOT(band)= -0.468041 trlgG= -0.588558 logG= -0.058340 TDE= -0.342136 logGD-logG0= -0.010272 tlogG= -0.047696 logG= -0.057969 Density= 0.428074 ETOT(band)= -0.467903 trlgG= -0.587110 logG= -0.057969 TDE= -0.341729 logGD-logG0= -0.010506 tlogG= -0.048101 logG= -0.058607 Density= 0.429899 ETOT(band)= -0.467883 trlgG= -0.588999 logG= -0.058607 TDE= -0.342470 logGD-logG0= -0.009523 tlogG= -0.046633 logG= -0.056157 Density= 0.427893 ETOT(band)= -0.466607 trlgG= -0.584379 logG= -0.056157 TDE= -0.341459 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010785 tlogG= -0.047716 logG= -0.058501 Density= 0.430837 ETOT(band)= -0.467258 trlgG= -0.588657 logG= -0.058501 TDE= -0.342595 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010297 tlogG= -0.048250 logG= -0.058547 Density= 0.429793 ETOT(band)= -0.468053 trlgG= -0.589326 logG= -0.058547 TDE= -0.342344 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009663 tlogG= -0.047681 logG= -0.057344 Density= 0.426478 ETOT(band)= -0.468115 trlgG= -0.586893 logG= -0.057344 TDE= -0.341618 logGD-logG0= -0.009836 tlogG= -0.047881 logG= -0.057717 Density= 0.428907 ETOT(band)= -0.467702 trlgG= -0.587765 logG= -0.057717 TDE= -0.342078 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.047984 logG= -0.058317 logGD-logG0= -0.009618 tlogG= -0.047799 logG= -0.057417 Density= 0.426978 ETOT(band)= -0.467669 trlgG= -0.585752 logG= -0.057417 TDE= -0.341320 Density= 0.428972 ETOT(band)= -0.468002 trlgG= -0.588197 logG= -0.058317 TDE= -0.341971 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010674 tlogG= -0.047761 logG= -0.058435 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.022982 logG= -0.028174 Density= 0.430500 ETOT(band)= -0.467312 trlgG= -0.588293 logG= -0.058435 TDE= -0.342487 Density= 0.216097 ETOT(band)= -0.231981 trlgG= -0.290573 logG= -0.028174 TDE= -0.170814 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.046427 logG= -0.056379 Density= 0.429314 ETOT(band)= -0.465327 trlgG= -0.581463 logG= -0.056379 TDE= -0.341156 logGD-logG0= -0.010335 tlogG= -0.046960 logG= -0.057295 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429650 ETOT(band)= -0.466250 trlgG= -0.584159 logG= -0.057295 TDE= -0.341440 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010710 tlogG= -0.048041 logG= -0.058751 logGD-logG0= -0.010017 tlogG= -0.047585 logG= -0.057602 Density= 0.428390 ETOT(band)= -0.467247 trlgG= -0.586155 logG= -0.057602 TDE= -0.341775 Density= 0.431073 ETOT(band)= -0.467543 trlgG= -0.589652 logG= -0.058751 TDE= -0.342859 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.047599 logG= -0.057859 Density= 0.429773 ETOT(band)= -0.466900 trlgG= -0.586090 logG= -0.057859 TDE= -0.341884 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047299 logG= -0.058032 logGD-logG0= -0.001208 tlogG= -0.005311 logG= -0.006519 Density= 0.081507 ETOT(band)= -0.085650 trlgG= -0.106210 logG= -0.006519 TDE= -0.042440 Density= 0.430237 ETOT(band)= -0.466884 trlgG= -0.586819 logG= -0.058032 TDE= -0.342104 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007969 logG= -0.009405 Density= 0.070840 ETOT(band)= -0.077904 trlgG= -0.097436 logG= -0.009405 TDE= -0.056932 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001189 tlogG= -0.005175 logG= -0.006365 Density= 0.062511 ETOT(band)= -0.067509 trlgG= -0.084199 logG= -0.006365 TDE= -0.042339 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004846 tlogG= -0.022341 logG= -0.027188 Density= 0.322705 ETOT(band)= -0.347811 trlgG= -0.433974 logG= -0.027188 TDE= -0.170161 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009988 tlogG= -0.044653 logG= -0.054641 Density= 0.324103 ETOT(band)= -0.346517 trlgG= -0.431932 logG= -0.054641 TDE= -0.340606 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009466 tlogG= -0.046740 logG= -0.056206 Density= 0.427698 ETOT(band)= -0.465881 trlgG= -0.581767 logG= -0.056206 TDE= -0.341041 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007122 logG= -0.008819 Density= 0.072188 ETOT(band)= -0.076445 trlgG= -0.094838 logG= -0.008819 TDE= -0.056595 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005472 logG= -0.006699 Density= 0.081153 ETOT(band)= -0.086316 trlgG= -0.107365 logG= -0.006699 TDE= -0.042551 logGD-logG0= -0.004959 tlogG= -0.022305 logG= -0.027265 Density= 0.214162 ETOT(band)= -0.232318 trlgG= -0.289406 logG= -0.027265 TDE= -0.170079 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.022486 logG= -0.027414 Density= 0.214916 ETOT(band)= -0.231548 trlgG= -0.288017 logG= -0.027414 TDE= -0.170092 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.022341 logG= -0.027147 Density= 0.214920 ETOT(band)= -0.231837 trlgG= -0.289061 logG= -0.027147 TDE= -0.170166 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.021895 logG= -0.026986 Density= 0.216500 ETOT(band)= -0.230184 trlgG= -0.286475 logG= -0.026986 TDE= -0.170141 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021367 logG= -0.026368 Density= 0.216891 ETOT(band)= -0.229078 trlgG= -0.284274 logG= -0.026368 TDE= -0.169810 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009839 tlogG= -0.044653 logG= -0.054491 Density= 0.431374 ETOT(band)= -0.461864 trlgG= -0.574698 logG= -0.054491 TDE= -0.340241 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004960 tlogG= -0.021222 logG= -0.026182 Density= 0.216224 ETOT(band)= -0.229933 trlgG= -0.285524 logG= -0.026182 TDE= -0.169717 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.663063309050 eV TrLogG= -407.152238142218 eV Ratio to renormalize= 1.000567062847 rho-rho_expected=-0.012468312308 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964460916080276 0.940009388153945 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004362 tlogG= -0.023986 logG= -0.028348 Density= 0.106128 ETOT(band)= -0.117048 trlgG= -0.146641 logG= -0.028348 TDE= -0.170811 logGD-logG0= -0.004637 tlogG= -0.023217 logG= -0.027855 Density= 0.106691 ETOT(band)= -0.116553 trlgG= -0.145439 logG= -0.027855 TDE= -0.170381 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023513 logG= -0.028262 logGD-logG0= -0.005027 tlogG= -0.022422 logG= -0.027450 Density= 0.107578 ETOT(band)= -0.115904 trlgG= -0.144423 logG= -0.027450 TDE= -0.170208 Density= 0.106725 ETOT(band)= -0.116746 trlgG= -0.145926 logG= -0.028262 TDE= -0.170478 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006997 logG= -0.008626 Density= 0.036174 ETOT(band)= -0.038109 trlgG= -0.047246 logG= -0.008626 TDE= -0.056520 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005085 tlogG= -0.021832 logG= -0.026916 Density= 0.107732 ETOT(band)= -0.115476 trlgG= -0.143550 logG= -0.026916 TDE= -0.169945 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001491 tlogG= -0.007815 logG= -0.009306 Density= 0.035478 ETOT(band)= -0.038901 trlgG= -0.048597 logG= -0.009306 TDE= -0.056847 logGD-logG0= -0.001410 tlogG= -0.008048 logG= -0.009458 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035300 ETOT(band)= -0.039051 trlgG= -0.048960 logG= -0.009458 TDE= -0.056970 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.021708 logG= -0.026734 logGD-logG0= -0.002428 tlogG= -0.012088 logG= -0.014517 Density= 0.107873 ETOT(band)= -0.115284 trlgG= -0.143242 logG= -0.026734 TDE= -0.169889 Density= 0.053556 ETOT(band)= -0.058514 trlgG= -0.073616 logG= -0.014517 TDE= -0.085602 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012039 logG= -0.014649 Density= 0.053732 ETOT(band)= -0.058505 trlgG= -0.073674 logG= -0.014649 TDE= -0.085614 logGD-logG0= -0.002333 tlogG= -0.011890 logG= -0.014223 Density= 0.053535 ETOT(band)= -0.058369 trlgG= -0.073253 logG= -0.014223 TDE= -0.085522 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024063 logG= -0.028398 Density= 0.106077 ETOT(band)= -0.117091 trlgG= -0.146754 logG= -0.028398 TDE= -0.170849 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002637 tlogG= -0.011994 logG= -0.014631 Density= 0.053949 ETOT(band)= -0.058390 trlgG= -0.073661 logG= -0.014631 TDE= -0.085726 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023444 logG= -0.028607 logGD-logG0= -0.005169 tlogG= -0.023777 logG= -0.028946 Density= 0.108109 ETOT(band)= -0.116489 trlgG= -0.146809 logG= -0.028946 TDE= -0.171360 logGD-logG0= -0.002340 tlogG= -0.011454 logG= -0.013795 Density= 0.053709 ETOT(band)= -0.058039 trlgG= -0.072490 logG= -0.013795 TDE= -0.085273 Density= 0.108063 ETOT(band)= -0.116326 trlgG= -0.146272 logG= -0.028607 TDE= -0.171140 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002568 tlogG= -0.011990 logG= -0.014559 logGD-logG0= -0.005120 tlogG= -0.022997 logG= -0.028117 Density= 0.108069 ETOT(band)= -0.116055 trlgG= -0.145497 logG= -0.028117 TDE= -0.170858 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054102 ETOT(band)= -0.058270 trlgG= -0.073542 logG= -0.014559 TDE= -0.085756 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.022472 logG= -0.027524 Density= 0.108139 ETOT(band)= -0.115682 trlgG= -0.144550 logG= -0.027524 TDE= -0.170539 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024086 logG= -0.029380 Density= 0.107579 ETOT(band)= -0.117012 trlgG= -0.147495 logG= -0.029380 TDE= -0.171350 logGD-logG0= -0.005157 tlogG= -0.023963 logG= -0.029120 Density= 0.108158 ETOT(band)= -0.116564 trlgG= -0.147088 logG= -0.029120 TDE= -0.171490 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004558 tlogG= -0.024059 logG= -0.028617 Density= 0.106343 ETOT(band)= -0.117083 trlgG= -0.146768 logG= -0.028617 TDE= -0.170775 logGD-logG0= -0.004879 tlogG= -0.022864 logG= -0.027743 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107689 ETOT(band)= -0.116034 trlgG= -0.144910 logG= -0.027743 TDE= -0.170456 logGD-logG0= -0.005010 tlogG= -0.023659 logG= -0.028669 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024144 logG= -0.029485 Density= 0.107745 ETOT(band)= -0.117009 trlgG= -0.147686 logG= -0.029485 TDE= -0.171518 Density= 0.106925 ETOT(band)= -0.116867 trlgG= -0.146269 logG= -0.028669 TDE= -0.170512 logGD-logG0= -0.004724 tlogG= -0.023002 logG= -0.027726 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023697 logG= -0.029000 logGD-logG0= -0.004846 tlogG= -0.023702 logG= -0.028548 logGD-logG0= -0.005326 tlogG= -0.023918 logG= -0.029244 Density= 0.107687 ETOT(band)= -0.116879 trlgG= -0.147281 logG= -0.029244 TDE= -0.171326 Density= 0.107174 ETOT(band)= -0.116942 trlgG= -0.146822 logG= -0.029000 TDE= -0.170857 Density= 0.107321 ETOT(band)= -0.116662 trlgG= -0.146375 logG= -0.028548 TDE= -0.170936 logGD-logG0= -0.005047 tlogG= -0.022749 logG= -0.027796 logGD-logG0= -0.005146 tlogG= -0.023619 logG= -0.028764 logGD-logG0= -0.004968 tlogG= -0.022186 logG= -0.027154 Density= 0.108294 ETOT(band)= -0.115377 trlgG= -0.143944 logG= -0.027154 TDE= -0.170379 logGD-logG0= -0.005144 tlogG= -0.023884 logG= -0.029028 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.023981 logG= -0.029226 Density= 0.107383 ETOT(band)= -0.116996 trlgG= -0.147219 logG= -0.029226 TDE= -0.171132 Density= 0.108182 ETOT(band)= -0.115820 trlgG= -0.144987 logG= -0.027796 TDE= -0.170725 Density= 0.108135 ETOT(band)= -0.116374 trlgG= -0.146518 logG= -0.028764 TDE= -0.171264 logGD-logG0= -0.005114 tlogG= -0.023230 logG= -0.028344 Density= 0.108127 ETOT(band)= -0.116150 trlgG= -0.145854 logG= -0.028344 TDE= -0.171017 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.116500 trlgG= -0.146939 logG= -0.029028 TDE= -0.171443 logGD-logG0= -0.005125 tlogG= -0.022890 logG= -0.028016 Density= 0.107558 ETOT(band)= -0.116238 trlgG= -0.145319 logG= -0.028016 TDE= -0.170529 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004693 tlogG= -0.023682 logG= -0.028375 Density= 0.106551 ETOT(band)= -0.116891 trlgG= -0.146351 logG= -0.028375 TDE= -0.170703 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023699 logG= -0.028423 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106924 ETOT(band)= -0.116777 trlgG= -0.146461 logG= -0.028423 TDE= -0.170949 logGD-logG0= -0.004915 tlogG= -0.023909 logG= -0.028824 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106706 ETOT(band)= -0.117048 trlgG= -0.146881 logG= -0.028824 TDE= -0.170861 logGD-logG0= -0.004897 tlogG= -0.024081 logG= -0.028978 Density= 0.107001 ETOT(band)= -0.117032 trlgG= -0.147139 logG= -0.028978 TDE= -0.171111 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106825 ETOT(band)= -0.116423 trlgG= -0.145177 logG= -0.027726 TDE= -0.170314 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024106 logG= -0.029116 Density= 0.107320 ETOT(band)= -0.116974 trlgG= -0.147118 logG= -0.029116 TDE= -0.171110 logGD-logG0= -0.004757 tlogG= -0.022865 logG= -0.027621 logGD-logG0= -0.005316 tlogG= -0.023213 logG= -0.028528 Density= 0.107622 ETOT(band)= -0.116488 trlgG= -0.146130 logG= -0.028528 TDE= -0.170858 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.023882 logG= -0.029176 Density= 0.107245 ETOT(band)= -0.116174 trlgG= -0.145030 logG= -0.027621 TDE= -0.170479 Density= 0.107849 ETOT(band)= -0.116748 trlgG= -0.147177 logG= -0.029176 TDE= -0.171371 logGD-logG0= -0.001696 tlogG= -0.007309 logG= -0.009004 Density= 0.035826 ETOT(band)= -0.038555 trlgG= -0.047903 logG= -0.009004 TDE= -0.056627 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009816 tlogG= -0.048270 logG= -0.058086 Density= 0.214288 ETOT(band)= -0.234026 trlgG= -0.294357 logG= -0.058086 TDE= -0.342312 logGD-logG0= -0.005331 tlogG= -0.023592 logG= -0.028922 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107736 ETOT(band)= -0.116651 trlgG= -0.146761 logG= -0.028922 TDE= -0.171152 logGD-logG0= -0.009136 tlogG= -0.047657 logG= -0.056793 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024070 logG= -0.029353 Density= 0.212836 ETOT(band)= -0.233902 trlgG= -0.292838 logG= -0.056793 TDE= -0.341367 Density= 0.107879 ETOT(band)= -0.116855 trlgG= -0.147474 logG= -0.029353 TDE= -0.171505 logGD-logG0= -0.009782 tlogG= -0.045616 logG= -0.055398 Density= 0.214262 ETOT(band)= -0.232530 trlgG= -0.290138 logG= -0.055398 TDE= -0.340767 logGD-logG0= -0.009503 tlogG= -0.045787 logG= -0.055290 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214908 ETOT(band)= -0.232185 trlgG= -0.289967 logG= -0.055290 TDE= -0.341024 logGD-logG0= -0.009682 tlogG= -0.047184 logG= -0.056866 Density= 0.213666 ETOT(band)= -0.233611 trlgG= -0.292772 logG= -0.056866 TDE= -0.341639 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009562 tlogG= -0.047961 logG= -0.057523 logGD-logG0= -0.009962 tlogG= -0.047925 logG= -0.057887 Density= 0.213175 ETOT(band)= -0.234117 trlgG= -0.293483 logG= -0.057523 TDE= -0.341450 Density= 0.213862 ETOT(band)= -0.234060 trlgG= -0.294040 logG= -0.057887 TDE= -0.341983 logGD-logG0= -0.009455 tlogG= -0.047473 logG= -0.056928 logGD-logG0= -0.009836 tlogG= -0.047185 logG= -0.057022 logGD-logG0= -0.010537 tlogG= -0.047775 logG= -0.058312 Density= 0.214639 ETOT(band)= -0.233954 trlgG= -0.294190 logG= -0.058312 TDE= -0.342092 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010339 tlogG= -0.048010 logG= -0.058349 Density= 0.214204 ETOT(band)= -0.233447 trlgG= -0.292909 logG= -0.056928 TDE= -0.341980 Density= 0.213677 ETOT(band)= -0.233656 trlgG= -0.292566 logG= -0.057022 TDE= -0.341282 Density= 0.214951 ETOT(band)= -0.233865 trlgG= -0.294288 logG= -0.058349 TDE= -0.342307 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010492 tlogG= -0.048110 logG= -0.058603 Density= 0.214948 ETOT(band)= -0.234011 trlgG= -0.294704 logG= -0.058603 TDE= -0.342468 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010572 tlogG= -0.048045 logG= -0.058618 logGD-logG0= -0.010637 tlogG= -0.047553 logG= -0.058190 Density= 0.214984 ETOT(band)= -0.234002 trlgG= -0.294732 logG= -0.058618 TDE= -0.342499 Density= 0.215571 ETOT(band)= -0.233463 trlgG= -0.294084 logG= -0.058190 TDE= -0.342570 logGD-logG0= -0.010198 tlogG= -0.047689 logG= -0.057887 logGD-logG0= -0.002471 tlogG= -0.010848 logG= -0.013319 logGD-logG0= -0.010401 tlogG= -0.047815 logG= -0.058216 Density= 0.214539 ETOT(band)= -0.233947 trlgG= -0.294019 logG= -0.058216 TDE= -0.341968 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054033 ETOT(band)= -0.057562 trlgG= -0.071535 logG= -0.013319 TDE= -0.084954 Density= 0.213843 ETOT(band)= -0.234047 trlgG= -0.293793 logG= -0.057887 TDE= -0.341725 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.047341 logG= -0.057764 Density= 0.214152 ETOT(band)= -0.233843 trlgG= -0.293270 logG= -0.057764 TDE= -0.341479 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009886 tlogG= -0.045678 logG= -0.055564 Density= 0.215037 ETOT(band)= -0.232263 trlgG= -0.289962 logG= -0.055564 TDE= -0.340809 logGD-logG0= -0.004917 tlogG= -0.021581 logG= -0.026498 Density= 0.108447 ETOT(band)= -0.114826 trlgG= -0.142817 logG= -0.026498 TDE= -0.169984 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010593 tlogG= -0.047455 logG= -0.058048 Density= 0.215342 ETOT(band)= -0.233501 trlgG= -0.293841 logG= -0.058048 TDE= -0.342355 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010085 tlogG= -0.048056 logG= -0.058141 logGD-logG0= -0.010563 tlogG= -0.047966 logG= -0.058529 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214417 ETOT(band)= -0.233974 trlgG= -0.294109 logG= -0.058141 TDE= -0.342072 Density= 0.215763 ETOT(band)= -0.233581 trlgG= -0.294649 logG= -0.058529 TDE= -0.342891 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004837 tlogG= -0.021006 logG= -0.025843 Density= 0.108642 ETOT(band)= -0.114240 trlgG= -0.141662 logG= -0.025843 TDE= -0.169581 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010197 tlogG= -0.046443 logG= -0.056641 Density= 0.215098 ETOT(band)= -0.232829 trlgG= -0.291594 logG= -0.056641 TDE= -0.341395 logGD-logG0= -0.010617 tlogG= -0.047914 logG= -0.058531 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215637 ETOT(band)= -0.233652 trlgG= -0.294649 logG= -0.058531 TDE= -0.342825 logGD-logG0= -0.010635 tlogG= -0.046913 logG= -0.057548 Density= 0.215306 ETOT(band)= -0.233223 trlgG= -0.293040 logG= -0.057548 TDE= -0.342037 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047251 logG= -0.057061 Density= 0.214367 ETOT(band)= -0.233410 trlgG= -0.292685 logG= -0.057061 TDE= -0.341704 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.024098 logG= -0.029406 Density= 0.107821 ETOT(band)= -0.116922 trlgG= -0.147561 logG= -0.029406 TDE= -0.171510 logGD-logG0= -0.002410 tlogG= -0.010435 logG= -0.012844 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054344 ETOT(band)= -0.057047 trlgG= -0.070692 logG= -0.012844 TDE= -0.084739 logGD-logG0= -0.010110 tlogG= -0.047183 logG= -0.057292 Density= 0.215032 ETOT(band)= -0.233231 trlgG= -0.292610 logG= -0.057292 TDE= -0.341727 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.021891 logG= -0.026895 Density= 0.108259 ETOT(band)= -0.115192 trlgG= -0.143495 logG= -0.026895 TDE= -0.170172 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010045 tlogG= -0.043419 logG= -0.053464 Density= 0.216155 ETOT(band)= -0.230362 trlgG= -0.286465 logG= -0.053464 TDE= -0.339965 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004443 tlogG= -0.023752 logG= -0.028194 Density= 0.213000 ETOT(band)= -0.233452 trlgG= -0.291716 logG= -0.028194 TDE= -0.170690 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004498 tlogG= -0.023598 logG= -0.028097 Density= 0.212536 ETOT(band)= -0.233855 trlgG= -0.292688 logG= -0.028097 TDE= -0.170605 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004612 tlogG= -0.023903 logG= -0.028515 Density= 0.213188 ETOT(band)= -0.233731 trlgG= -0.292453 logG= -0.028515 TDE= -0.170695 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006880 logG= -0.008465 Density= 0.040822 ETOT(band)= -0.042655 trlgG= -0.052798 logG= -0.008465 TDE= -0.056435 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.022919 logG= -0.027896 Density= 0.214690 ETOT(band)= -0.232282 trlgG= -0.289658 logG= -0.027896 TDE= -0.170343 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001697 tlogG= -0.007122 logG= -0.008819 Density= 0.072188 ETOT(band)= -0.076445 trlgG= -0.094838 logG= -0.008819 TDE= -0.056595 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.022486 logG= -0.027414 Density= 0.214916 ETOT(band)= -0.231546 trlgG= -0.288015 logG= -0.027414 TDE= -0.170091 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010684 tlogG= -0.048178 logG= -0.058862 Density= 0.215295 ETOT(band)= -0.234031 trlgG= -0.295172 logG= -0.058862 TDE= -0.342849 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.021222 logG= -0.026182 Density= 0.216224 ETOT(band)= -0.229932 trlgG= -0.285523 logG= -0.026182 TDE= -0.169716 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001281 tlogG= -0.005942 logG= -0.007223 Density= 0.080784 ETOT(band)= -0.087607 trlgG= -0.110354 logG= -0.007223 TDE= -0.042844 logGD-logG0= -0.001276 tlogG= -0.005859 logG= -0.007135 Density= 0.080603 ETOT(band)= -0.087570 trlgG= -0.110157 logG= -0.007135 TDE= -0.042790 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007267 Density= 0.081010 ETOT(band)= -0.087512 trlgG= -0.110410 logG= -0.007267 TDE= -0.042874 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.024170 logG= -0.029199 Density= 0.214623 ETOT(band)= -0.234054 trlgG= -0.294498 logG= -0.029199 TDE= -0.171147 logGD-logG0= -0.005215 tlogG= -0.023775 logG= -0.028990 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023969 logG= -0.029164 Density= 0.216251 ETOT(band)= -0.233135 trlgG= -0.294102 logG= -0.029164 TDE= -0.171478 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216143 ETOT(band)= -0.232936 trlgG= -0.293397 logG= -0.028990 TDE= -0.171337 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005380 tlogG= -0.023909 logG= -0.029289 Density= 0.215516 ETOT(band)= -0.233654 trlgG= -0.294530 logG= -0.029289 TDE= -0.171342 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005428 tlogG= -0.023696 logG= -0.029123 Density= 0.215282 ETOT(band)= -0.233504 trlgG= -0.293829 logG= -0.029123 TDE= -0.171165 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008975 tlogG= -0.048121 logG= -0.057095 Density= 0.425359 ETOT(band)= -0.468071 trlgG= -0.586368 logG= -0.057095 TDE= -0.341601 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009466 tlogG= -0.046739 logG= -0.056206 Density= 0.427697 ETOT(band)= -0.465878 trlgG= -0.581765 logG= -0.056206 TDE= -0.341039 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009663 tlogG= -0.047680 logG= -0.057344 Density= 0.426477 ETOT(band)= -0.468112 trlgG= -0.586890 logG= -0.057344 TDE= -0.341616 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009618 tlogG= -0.047799 logG= -0.057417 Density= 0.426977 ETOT(band)= -0.467666 trlgG= -0.585749 logG= -0.057417 TDE= -0.341318 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.046427 logG= -0.056379 Density= 0.429313 ETOT(band)= -0.465325 trlgG= -0.581460 logG= -0.056379 TDE= -0.341154 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.021318 logG= -0.026236 Density= 0.162548 ETOT(band)= -0.172911 trlgG= -0.215910 logG= -0.026236 TDE= -0.169797 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009989 tlogG= -0.044652 logG= -0.054641 Density= 0.324102 ETOT(band)= -0.346516 trlgG= -0.431931 logG= -0.054641 TDE= -0.340605 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007969 logG= -0.009405 Density= 0.070840 ETOT(band)= -0.077903 trlgG= -0.097435 logG= -0.009405 TDE= -0.056932 logGD-logG0= -0.009839 tlogG= -0.044652 logG= -0.054491 Density= 0.431373 ETOT(band)= -0.461862 trlgG= -0.574695 logG= -0.054491 TDE= -0.340240 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004309 tlogG= -0.024143 logG= -0.028452 Density= 0.212092 ETOT(band)= -0.234232 trlgG= -0.293632 logG= -0.028452 TDE= -0.170887 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005175 logG= -0.006365 Density= 0.062510 ETOT(band)= -0.067508 trlgG= -0.084198 logG= -0.006365 TDE= -0.042339 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001261 tlogG= -0.005751 logG= -0.007013 Density= 0.080593 ETOT(band)= -0.087354 trlgG= -0.109601 logG= -0.007013 TDE= -0.042725 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007592 logG= -0.009168 Density= 0.071464 ETOT(band)= -0.077307 trlgG= -0.096143 logG= -0.009168 TDE= -0.056707 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.024013 logG= -0.029252 Density= 0.215555 ETOT(band)= -0.233752 trlgG= -0.294802 logG= -0.029252 TDE= -0.171487 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005623 logG= -0.006864 Density= 0.080794 ETOT(band)= -0.086926 trlgG= -0.108599 logG= -0.006864 TDE= -0.042649 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023499 logG= -0.028760 Density= 0.215095 ETOT(band)= -0.233217 trlgG= -0.292882 logG= -0.028760 TDE= -0.171078 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023812 logG= -0.029084 Density= 0.215209 ETOT(band)= -0.233654 trlgG= -0.294147 logG= -0.029084 TDE= -0.171335 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.024012 logG= -0.029214 Density= 0.216217 ETOT(band)= -0.233239 trlgG= -0.294334 logG= -0.029214 TDE= -0.171505 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023860 logG= -0.028945 Density= 0.215369 ETOT(band)= -0.233651 trlgG= -0.294249 logG= -0.028945 TDE= -0.171022 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004694 tlogG= -0.023381 logG= -0.028075 Density= 0.321474 ETOT(band)= -0.349880 trlgG= -0.438712 logG= -0.028075 TDE= -0.170812 logGD-logG0= -0.004783 tlogG= -0.024019 logG= -0.028801 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321398 ETOT(band)= -0.350931 trlgG= -0.441292 logG= -0.028801 TDE= -0.171136 logGD-logG0= -0.005088 tlogG= -0.023970 logG= -0.029058 logGD-logG0= -0.004924 tlogG= -0.023898 logG= -0.028822 Density= 0.213685 ETOT(band)= -0.233886 trlgG= -0.292963 logG= -0.028822 TDE= -0.170702 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010434 tlogG= -0.047811 logG= -0.058245 Density= 0.214228 ETOT(band)= -0.233978 trlgG= -0.293878 logG= -0.029058 TDE= -0.170974 Density= 0.324146 ETOT(band)= -0.349762 trlgG= -0.440998 logG= -0.058245 TDE= -0.342850 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004586 tlogG= -0.023986 logG= -0.028571 logGD-logG0= -0.010479 tlogG= -0.047261 logG= -0.057740 Density= 0.323934 ETOT(band)= -0.349393 trlgG= -0.439647 logG= -0.057740 TDE= -0.342459 Density= 0.212719 ETOT(band)= -0.234137 trlgG= -0.293443 logG= -0.028571 TDE= -0.170743 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.022982 logG= -0.028174 Density= 0.216097 ETOT(band)= -0.231980 trlgG= -0.290572 logG= -0.028174 TDE= -0.170813 logGD-logG0= -0.005054 tlogG= -0.024176 logG= -0.029230 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322259 ETOT(band)= -0.351054 trlgG= -0.441974 logG= -0.029230 TDE= -0.171143 logGD-logG0= -0.010195 tlogG= -0.045662 logG= -0.055857 Density= 0.323858 ETOT(band)= -0.347787 trlgG= -0.434939 logG= -0.055857 TDE= -0.341281 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010713 tlogG= -0.048068 logG= -0.058781 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323054 ETOT(band)= -0.350825 trlgG= -0.442327 logG= -0.058781 TDE= -0.342839 logGD-logG0= -0.005221 tlogG= -0.023428 logG= -0.028649 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216066 ETOT(band)= -0.232555 trlgG= -0.292188 logG= -0.028649 TDE= -0.171099 logGD-logG0= -0.010474 tlogG= -0.046442 logG= -0.056916 Density= 0.323805 ETOT(band)= -0.348733 trlgG= -0.437559 logG= -0.056916 TDE= -0.341903 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023260 logG= -0.028299 Density= 0.321535 ETOT(band)= -0.350390 trlgG= -0.439565 logG= -0.028299 TDE= -0.170765 logGD-logG0= -0.004793 tlogG= -0.023257 logG= -0.028050 Density= 0.213404 ETOT(band)= -0.233485 trlgG= -0.292180 logG= -0.028050 TDE= -0.170655 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.024019 logG= -0.028769 logGD-logG0= -0.009704 tlogG= -0.046633 logG= -0.056336 Density= 0.214012 ETOT(band)= -0.233965 trlgG= -0.294095 logG= -0.028769 TDE= -0.171141 Density= 0.322534 ETOT(band)= -0.348843 trlgG= -0.436364 logG= -0.056336 TDE= -0.341434 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023848 logG= -0.028693 Density= 0.213472 ETOT(band)= -0.234022 trlgG= -0.293699 logG= -0.028693 TDE= -0.170958 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023210 logG= -0.028388 Density= 0.214756 ETOT(band)= -0.232839 trlgG= -0.291188 logG= -0.028388 TDE= -0.170528 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.023383 logG= -0.028046 Density= 0.214080 ETOT(band)= -0.233250 trlgG= -0.292300 logG= -0.028046 TDE= -0.170819 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005365 tlogG= -0.023969 logG= -0.029333 Density= 0.323464 ETOT(band)= -0.350502 trlgG= -0.442077 logG= -0.029333 TDE= -0.171391 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023371 logG= -0.028815 Density= 0.214988 ETOT(band)= -0.233243 trlgG= -0.292686 logG= -0.028815 TDE= -0.170871 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.048175 logG= -0.058340 Density= 0.429067 ETOT(band)= -0.468039 trlgG= -0.588555 logG= -0.058340 TDE= -0.342135 logGD-logG0= -0.009661 tlogG= -0.047864 logG= -0.057526 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427823 ETOT(band)= -0.467913 trlgG= -0.587774 logG= -0.057526 TDE= -0.342086 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.046633 logG= -0.056157 Density= 0.427892 ETOT(band)= -0.466605 trlgG= -0.584376 logG= -0.056157 TDE= -0.341457 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010297 tlogG= -0.048250 logG= -0.058547 logGD-logG0= -0.005128 tlogG= -0.022455 logG= -0.027583 Density= 0.429792 ETOT(band)= -0.468050 trlgG= -0.589323 logG= -0.058547 TDE= -0.342342 Density= 0.216244 ETOT(band)= -0.231181 trlgG= -0.288588 logG= -0.027583 TDE= -0.170480 logGD-logG0= -0.010272 tlogG= -0.047696 logG= -0.057969 logGD-logG0= -0.010506 tlogG= -0.048101 logG= -0.058607 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.021895 logG= -0.026986 Density= 0.216499 ETOT(band)= -0.230183 trlgG= -0.286474 logG= -0.026986 TDE= -0.170140 Density= 0.429898 ETOT(band)= -0.467881 trlgG= -0.588996 logG= -0.058607 TDE= -0.342468 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010785 tlogG= -0.047716 logG= -0.058501 Density= 0.428073 ETOT(band)= -0.467900 trlgG= -0.587107 logG= -0.057969 TDE= -0.341727 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430836 ETOT(band)= -0.467256 trlgG= -0.588655 logG= -0.058501 TDE= -0.342593 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010674 tlogG= -0.047761 logG= -0.058435 Density= 0.430499 ETOT(band)= -0.467310 trlgG= -0.588291 logG= -0.058435 TDE= -0.342486 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010333 tlogG= -0.047984 logG= -0.058317 Density= 0.428971 ETOT(band)= -0.468000 trlgG= -0.588194 logG= -0.058317 TDE= -0.341969 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.021367 logG= -0.026368 Density= 0.216890 ETOT(band)= -0.229077 trlgG= -0.284273 logG= -0.026368 TDE= -0.169809 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005332 tlogG= -0.024133 logG= -0.029465 Density= 0.215587 ETOT(band)= -0.233908 trlgG= -0.295217 logG= -0.029465 TDE= -0.171518 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009837 tlogG= -0.047880 logG= -0.057717 Density= 0.428906 ETOT(band)= -0.467700 trlgG= -0.587762 logG= -0.057717 TDE= -0.342076 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010710 tlogG= -0.048041 logG= -0.058751 Density= 0.431071 ETOT(band)= -0.467541 trlgG= -0.589649 logG= -0.058751 TDE= -0.342858 logGD-logG0= -0.010017 tlogG= -0.047585 logG= -0.057602 Density= 0.428389 ETOT(band)= -0.467245 trlgG= -0.586152 logG= -0.057602 TDE= -0.341773 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010335 tlogG= -0.046960 logG= -0.057295 Density= 0.429648 ETOT(band)= -0.466248 trlgG= -0.584156 logG= -0.057295 TDE= -0.341438 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.047299 logG= -0.058032 Density= 0.430236 ETOT(band)= -0.466882 trlgG= -0.586817 logG= -0.058032 TDE= -0.342102 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.022305 logG= -0.027265 Density= 0.214162 ETOT(band)= -0.232317 trlgG= -0.289405 logG= -0.027265 TDE= -0.170078 logGD-logG0= -0.001208 tlogG= -0.005311 logG= -0.006519 Density= 0.081507 ETOT(band)= -0.085650 trlgG= -0.106209 logG= -0.006519 TDE= -0.042440 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005472 logG= -0.006699 logGD-logG0= -0.004846 tlogG= -0.022341 logG= -0.027188 Density= 0.322704 ETOT(band)= -0.347810 trlgG= -0.433972 logG= -0.027188 TDE= -0.170161 Density= 0.081153 ETOT(band)= -0.086315 trlgG= -0.107365 logG= -0.006699 TDE= -0.042551 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010260 tlogG= -0.047599 logG= -0.057859 Density= 0.429772 ETOT(band)= -0.466898 trlgG= -0.586087 logG= -0.057859 TDE= -0.341882 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.022340 logG= -0.027147 Density= 0.214920 ETOT(band)= -0.231836 trlgG= -0.289060 logG= -0.027147 TDE= -0.170166 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005258 tlogG= -0.024099 logG= -0.029358 Density= 0.322871 ETOT(band)= -0.351032 trlgG= -0.442627 logG= -0.029358 TDE= -0.171332 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.661537625405 eV TrLogG= -407.149998073137 eV Ratio to renormalize= 1.000569482528 rho-rho_expected=-0.012521484843 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 77) Finished k-point number 156 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964459777487507 0.940030190449618 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002332 tlogG= -0.011891 logG= -0.014223 Density= 0.053536 ETOT(band)= -0.058373 trlgG= -0.073257 logG= -0.014223 TDE= -0.085526 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004967 tlogG= -0.022187 logG= -0.027154 Density= 0.108296 ETOT(band)= -0.115382 trlgG= -0.143951 logG= -0.027154 TDE= -0.170387 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023699 logG= -0.029000 logGD-logG0= -0.005112 tlogG= -0.023232 logG= -0.028344 Density= 0.107177 ETOT(band)= -0.116948 trlgG= -0.146830 logG= -0.029000 TDE= -0.170866 logGD-logG0= -0.004692 tlogG= -0.023684 logG= -0.028376 Density= 0.106553 ETOT(band)= -0.116897 trlgG= -0.146360 logG= -0.028376 TDE= -0.170712 Density= 0.108130 ETOT(band)= -0.116155 trlgG= -0.145861 logG= -0.028344 TDE= -0.171025 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.022892 logG= -0.028016 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107560 ETOT(band)= -0.116244 trlgG= -0.145327 logG= -0.028016 TDE= -0.170537 logGD-logG0= -0.004896 tlogG= -0.024083 logG= -0.028979 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107004 ETOT(band)= -0.117039 trlgG= -0.147147 logG= -0.028979 TDE= -0.171119 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.022867 logG= -0.027622 Density= 0.107247 ETOT(band)= -0.116180 trlgG= -0.145038 logG= -0.027622 TDE= -0.170488 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002428 tlogG= -0.012089 logG= -0.014517 logGD-logG0= -0.002610 tlogG= -0.012040 logG= -0.014650 Density= 0.053557 ETOT(band)= -0.058517 trlgG= -0.073620 logG= -0.014517 TDE= -0.085606 Density= 0.053733 ETOT(band)= -0.058508 trlgG= -0.073678 logG= -0.014650 TDE= -0.085618 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002567 tlogG= -0.011991 logG= -0.014559 Density= 0.054104 ETOT(band)= -0.058273 trlgG= -0.073545 logG= -0.014559 TDE= -0.085760 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001050 Density= 0.004540 ETOT(band)= -0.004731 trlgG= -0.005852 logG= -0.001050 TDE= -0.007049 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023886 logG= -0.029028 Density= 0.108182 ETOT(band)= -0.116506 trlgG= -0.146946 logG= -0.029028 TDE= -0.171452 logGD-logG0= -0.005244 tlogG= -0.023982 logG= -0.029227 logGD-logG0= -0.002340 tlogG= -0.011455 logG= -0.013795 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107386 ETOT(band)= -0.117002 trlgG= -0.147227 logG= -0.029227 TDE= -0.171141 Density= 0.053710 ETOT(band)= -0.058043 trlgG= -0.072494 logG= -0.013795 TDE= -0.085277 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007816 logG= -0.009306 Density= 0.035479 ETOT(band)= -0.038904 trlgG= -0.048600 logG= -0.009306 TDE= -0.056850 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001409 tlogG= -0.008049 logG= -0.009458 Density= 0.035301 ETOT(band)= -0.039053 trlgG= -0.048963 logG= -0.009458 TDE= -0.056973 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005329 tlogG= -0.023594 logG= -0.028923 Density= 0.107739 ETOT(band)= -0.116657 trlgG= -0.146768 logG= -0.028923 TDE= -0.171160 logGD-logG0= -0.005155 tlogG= -0.023965 logG= -0.029120 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108162 ETOT(band)= -0.116570 trlgG= -0.147095 logG= -0.029120 TDE= -0.171499 logGD-logG0= -0.005119 tlogG= -0.022999 logG= -0.028118 Density= 0.108072 ETOT(band)= -0.116061 trlgG= -0.145504 logG= -0.028118 TDE= -0.170866 logGD-logG0= -0.009134 tlogG= -0.047660 logG= -0.056794 logGD-logG0= -0.005293 tlogG= -0.024088 logG= -0.029381 Density= 0.212840 ETOT(band)= -0.233916 trlgG= -0.292855 logG= -0.056794 TDE= -0.341385 Density= 0.107582 ETOT(band)= -0.117018 trlgG= -0.147503 logG= -0.029381 TDE= -0.171359 logGD-logG0= -0.004334 tlogG= -0.024064 logG= -0.028399 Density= 0.106079 ETOT(band)= -0.117098 trlgG= -0.146763 logG= -0.028399 TDE= -0.170857 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004361 tlogG= -0.023987 logG= -0.028349 Density= 0.106130 ETOT(band)= -0.117055 trlgG= -0.146650 logG= -0.028349 TDE= -0.170820 logGD-logG0= -0.004557 tlogG= -0.024060 logG= -0.028617 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.022474 logG= -0.027524 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106345 ETOT(band)= -0.117090 trlgG= -0.146777 logG= -0.028617 TDE= -0.170784 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023779 logG= -0.028946 Density= 0.108112 ETOT(band)= -0.116495 trlgG= -0.146816 logG= -0.028946 TDE= -0.171369 logGD-logG0= -0.005162 tlogG= -0.023446 logG= -0.028608 Density= 0.108066 ETOT(band)= -0.116332 trlgG= -0.146279 logG= -0.028608 TDE= -0.171148 Density= 0.108141 ETOT(band)= -0.115688 trlgG= -0.144557 logG= -0.027524 TDE= -0.170547 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009561 tlogG= -0.047963 logG= -0.057524 Density= 0.213180 ETOT(band)= -0.234130 trlgG= -0.293500 logG= -0.057524 TDE= -0.341468 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.023660 logG= -0.028670 logGD-logG0= -0.004636 tlogG= -0.023219 logG= -0.027855 Density= 0.106928 ETOT(band)= -0.116874 trlgG= -0.146277 logG= -0.028670 TDE= -0.170520 logGD-logG0= -0.005144 tlogG= -0.023621 logG= -0.028764 Density= 0.108138 ETOT(band)= -0.116379 trlgG= -0.146525 logG= -0.028764 TDE= -0.171272 logGD-logG0= -0.005338 tlogG= -0.024147 logG= -0.029485 logGD-logG0= -0.002636 tlogG= -0.011995 logG= -0.014631 Density= 0.053951 ETOT(band)= -0.058393 trlgG= -0.073665 logG= -0.014631 TDE= -0.085731 Density= 0.106692 ETOT(band)= -0.116560 trlgG= -0.145448 logG= -0.027855 TDE= -0.170389 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107748 ETOT(band)= -0.117015 trlgG= -0.147693 logG= -0.029485 TDE= -0.171527 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.022751 logG= -0.027797 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.024101 logG= -0.029407 Density= 0.107824 ETOT(band)= -0.116928 trlgG= -0.147569 logG= -0.029407 TDE= -0.171519 Density= 0.108185 ETOT(band)= -0.115825 trlgG= -0.144994 logG= -0.027797 TDE= -0.170733 logGD-logG0= -0.005026 tlogG= -0.022424 logG= -0.027450 logGD-logG0= -0.004915 tlogG= -0.023910 logG= -0.028825 Density= 0.106708 ETOT(band)= -0.117055 trlgG= -0.146890 logG= -0.028825 TDE= -0.170870 logGD-logG0= -0.005325 tlogG= -0.023919 logG= -0.029245 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023703 logG= -0.028548 Density= 0.107324 ETOT(band)= -0.116669 trlgG= -0.146383 logG= -0.028548 TDE= -0.170944 logGD-logG0= -0.004723 tlogG= -0.023003 logG= -0.027727 Density= 0.106827 ETOT(band)= -0.116430 trlgG= -0.145186 logG= -0.027727 TDE= -0.170323 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107690 ETOT(band)= -0.116885 trlgG= -0.147289 logG= -0.029245 TDE= -0.171334 logGD-logG0= -0.004748 tlogG= -0.023515 logG= -0.028262 Density= 0.106727 ETOT(band)= -0.116752 trlgG= -0.145935 logG= -0.028262 TDE= -0.170486 logGD-logG0= -0.004723 tlogG= -0.023701 logG= -0.028424 Density= 0.106926 ETOT(band)= -0.116784 trlgG= -0.146469 logG= -0.028424 TDE= -0.170958 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.022866 logG= -0.027744 Density= 0.107691 ETOT(band)= -0.116040 trlgG= -0.144917 logG= -0.027744 TDE= -0.170465 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107581 ETOT(band)= -0.115910 trlgG= -0.144431 logG= -0.027450 TDE= -0.170217 logGD-logG0= -0.005008 tlogG= -0.024108 logG= -0.029116 Density= 0.107322 ETOT(band)= -0.116980 trlgG= -0.147126 logG= -0.029116 TDE= -0.171118 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.023214 logG= -0.028529 Density= 0.107625 ETOT(band)= -0.116494 trlgG= -0.146138 logG= -0.028529 TDE= -0.170867 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023884 logG= -0.029176 Density= 0.107852 ETOT(band)= -0.116754 trlgG= -0.147185 logG= -0.029176 TDE= -0.171379 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009814 tlogG= -0.048273 logG= -0.058087 Density= 0.214293 ETOT(band)= -0.234038 trlgG= -0.294373 logG= -0.058087 TDE= -0.342329 logGD-logG0= -0.009500 tlogG= -0.045791 logG= -0.055291 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214912 ETOT(band)= -0.232198 trlgG= -0.289983 logG= -0.055291 TDE= -0.341041 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009959 tlogG= -0.047929 logG= -0.057888 logGD-logG0= -0.009779 tlogG= -0.045620 logG= -0.055399 logGD-logG0= -0.009679 tlogG= -0.047188 logG= -0.056867 Density= 0.213671 ETOT(band)= -0.233624 trlgG= -0.292789 logG= -0.056867 TDE= -0.341657 Density= 0.214266 ETOT(band)= -0.232543 trlgG= -0.290154 logG= -0.055399 TDE= -0.340784 Density= 0.213866 ETOT(band)= -0.234073 trlgG= -0.294057 logG= -0.057888 TDE= -0.342000 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047188 logG= -0.057023 logGD-logG0= -0.010535 tlogG= -0.047778 logG= -0.058313 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213681 ETOT(band)= -0.233669 trlgG= -0.292582 logG= -0.057023 TDE= -0.341299 Density= 0.214644 ETOT(band)= -0.233966 trlgG= -0.294206 logG= -0.058313 TDE= -0.342109 logGD-logG0= -0.001261 tlogG= -0.005752 logG= -0.007013 Density= 0.080595 ETOT(band)= -0.087359 trlgG= -0.109607 logG= -0.007013 TDE= -0.042727 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002470 tlogG= -0.010849 logG= -0.013319 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010337 tlogG= -0.048013 logG= -0.058350 Density= 0.054034 ETOT(band)= -0.057565 trlgG= -0.071538 logG= -0.013319 TDE= -0.084958 Density= 0.214957 ETOT(band)= -0.233877 trlgG= -0.294303 logG= -0.058350 TDE= -0.342324 logGD-logG0= -0.005281 tlogG= -0.024072 logG= -0.029353 logGD-logG0= -0.009452 tlogG= -0.047477 logG= -0.056929 Density= 0.214208 ETOT(band)= -0.233459 trlgG= -0.292925 logG= -0.056929 TDE= -0.341997 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107883 ETOT(band)= -0.116861 trlgG= -0.147481 logG= -0.029353 TDE= -0.171514 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010490 tlogG= -0.048113 logG= -0.058604 Density= 0.214954 ETOT(band)= -0.234023 trlgG= -0.294720 logG= -0.058604 TDE= -0.342486 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001628 tlogG= -0.006998 logG= -0.008626 Density= 0.036175 ETOT(band)= -0.038111 trlgG= -0.047248 logG= -0.008626 TDE= -0.056523 logGD-logG0= -0.001695 tlogG= -0.007309 logG= -0.009004 Density= 0.035827 ETOT(band)= -0.038557 trlgG= -0.047906 logG= -0.009004 TDE= -0.056630 logGD-logG0= -0.010399 tlogG= -0.047818 logG= -0.058217 Density= 0.214545 ETOT(band)= -0.233959 trlgG= -0.294036 logG= -0.058217 TDE= -0.341986 logGD-logG0= -0.010633 tlogG= -0.047557 logG= -0.058190 logGD-logG0= -0.010559 tlogG= -0.047970 logG= -0.058529 Density= 0.215770 ETOT(band)= -0.233592 trlgG= -0.294663 logG= -0.058529 TDE= -0.342908 logGD-logG0= -0.010082 tlogG= -0.048060 logG= -0.058142 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215577 ETOT(band)= -0.233474 trlgG= -0.294099 logG= -0.058190 TDE= -0.342587 logGD-logG0= -0.010570 tlogG= -0.048048 logG= -0.058619 Density= 0.214422 ETOT(band)= -0.233987 trlgG= -0.294125 logG= -0.058142 TDE= -0.342089 logGD-logG0= -0.009883 tlogG= -0.045682 logG= -0.055565 logGD-logG0= -0.010682 tlogG= -0.048180 logG= -0.058863 logGD-logG0= -0.010196 tlogG= -0.047692 logG= -0.057889 Density= 0.213847 ETOT(band)= -0.234060 trlgG= -0.293809 logG= -0.057889 TDE= -0.341743 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215301 ETOT(band)= -0.234042 trlgG= -0.295187 logG= -0.058863 TDE= -0.342867 Density= 0.215042 ETOT(band)= -0.232276 trlgG= -0.289977 logG= -0.055565 TDE= -0.340826 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214990 ETOT(band)= -0.234014 trlgG= -0.294747 logG= -0.058619 TDE= -0.342516 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.047344 logG= -0.057765 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214157 ETOT(band)= -0.233856 trlgG= -0.293286 logG= -0.057765 TDE= -0.341496 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010591 tlogG= -0.047458 logG= -0.058049 Density= 0.215347 ETOT(band)= -0.233513 trlgG= -0.293856 logG= -0.058049 TDE= -0.342372 logGD-logG0= -0.010614 tlogG= -0.047918 logG= -0.058532 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215643 ETOT(band)= -0.233664 trlgG= -0.294664 logG= -0.058532 TDE= -0.342843 logGD-logG0= -0.009807 tlogG= -0.047255 logG= -0.057062 Density= 0.214372 ETOT(band)= -0.233423 trlgG= -0.292701 logG= -0.057062 TDE= -0.341721 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010195 tlogG= -0.046446 logG= -0.056642 logGD-logG0= -0.010633 tlogG= -0.046915 logG= -0.057549 Density= 0.215311 ETOT(band)= -0.233235 trlgG= -0.293055 logG= -0.057549 TDE= -0.342054 Density= 0.215103 ETOT(band)= -0.232841 trlgG= -0.291610 logG= -0.056642 TDE= -0.341412 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010107 tlogG= -0.047186 logG= -0.057293 Density= 0.215037 ETOT(band)= -0.233243 trlgG= -0.292626 logG= -0.057293 TDE= -0.341744 logGD-logG0= -0.005127 tlogG= -0.022457 logG= -0.027584 Density= 0.216249 ETOT(band)= -0.231193 trlgG= -0.288602 logG= -0.027584 TDE= -0.170488 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.023971 logG= -0.029059 Density= 0.214233 ETOT(band)= -0.233990 trlgG= -0.293894 logG= -0.029059 TDE= -0.170982 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023259 logG= -0.028051 Density= 0.213408 ETOT(band)= -0.233499 trlgG= -0.292197 logG= -0.028051 TDE= -0.170663 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.021893 logG= -0.026895 logGD-logG0= -0.004749 tlogG= -0.024021 logG= -0.028770 Density= 0.108261 ETOT(band)= -0.115198 trlgG= -0.143502 logG= -0.026895 TDE= -0.170180 Density= 0.214017 ETOT(band)= -0.233978 trlgG= -0.294111 logG= -0.028770 TDE= -0.171149 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002409 tlogG= -0.010435 logG= -0.012844 Density= 0.054345 ETOT(band)= -0.057050 trlgG= -0.070695 logG= -0.012844 TDE= -0.084743 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004916 tlogG= -0.021583 logG= -0.026499 Density= 0.108450 ETOT(band)= -0.114832 trlgG= -0.142824 logG= -0.026499 TDE= -0.169992 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005177 tlogG= -0.023212 logG= -0.028389 Density= 0.214761 ETOT(band)= -0.232852 trlgG= -0.291204 logG= -0.028389 TDE= -0.170537 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023430 logG= -0.028649 Density= 0.216072 ETOT(band)= -0.232566 trlgG= -0.292203 logG= -0.028649 TDE= -0.171108 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.021834 logG= -0.026917 Density= 0.107734 ETOT(band)= -0.115482 trlgG= -0.143558 logG= -0.026917 TDE= -0.169953 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005024 tlogG= -0.021710 logG= -0.026734 Density= 0.107876 ETOT(band)= -0.115290 trlgG= -0.143250 logG= -0.026734 TDE= -0.169897 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004805 tlogG= -0.022342 logG= -0.027147 Density= 0.214924 ETOT(band)= -0.231848 trlgG= -0.289075 logG= -0.027147 TDE= -0.170174 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010042 tlogG= -0.043422 logG= -0.053464 Density= 0.216160 ETOT(band)= -0.230374 trlgG= -0.286480 logG= -0.053464 TDE= -0.339982 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004835 tlogG= -0.021008 logG= -0.025843 Density= 0.108645 ETOT(band)= -0.114245 trlgG= -0.141669 logG= -0.025843 TDE= -0.169589 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001280 tlogG= -0.005943 logG= -0.007223 Density= 0.080786 ETOT(band)= -0.087612 trlgG= -0.110360 logG= -0.007223 TDE= -0.042846 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005860 logG= -0.007135 Density= 0.080605 ETOT(band)= -0.087575 trlgG= -0.110162 logG= -0.007135 TDE= -0.042792 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001436 tlogG= -0.007970 logG= -0.009406 Density= 0.070841 ETOT(band)= -0.077908 trlgG= -0.097441 logG= -0.009406 TDE= -0.056935 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004308 tlogG= -0.024144 logG= -0.028453 Density= 0.212095 ETOT(band)= -0.234246 trlgG= -0.293650 logG= -0.028453 TDE= -0.170896 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004497 tlogG= -0.023600 logG= -0.028097 Density= 0.212539 ETOT(band)= -0.233869 trlgG= -0.292705 logG= -0.028097 TDE= -0.170614 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023905 logG= -0.028515 Density= 0.213192 ETOT(band)= -0.233745 trlgG= -0.292469 logG= -0.028515 TDE= -0.170704 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006880 logG= -0.008465 Density= 0.040823 ETOT(band)= -0.042657 trlgG= -0.052801 logG= -0.008465 TDE= -0.056437 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004442 tlogG= -0.023753 logG= -0.028195 Density= 0.213003 ETOT(band)= -0.233465 trlgG= -0.291734 logG= -0.028195 TDE= -0.170699 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023971 logG= -0.029165 Density= 0.216257 ETOT(band)= -0.233146 trlgG= -0.294117 logG= -0.029165 TDE= -0.171487 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007593 logG= -0.009168 Density= 0.071465 ETOT(band)= -0.077311 trlgG= -0.096149 logG= -0.009168 TDE= -0.056710 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024172 logG= -0.029199 Density= 0.214628 ETOT(band)= -0.234066 trlgG= -0.294513 logG= -0.029199 TDE= -0.171156 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005624 logG= -0.006864 Density= 0.080795 ETOT(band)= -0.086931 trlgG= -0.108605 logG= -0.006864 TDE= -0.042651 logGD-logG0= -0.005426 tlogG= -0.023698 logG= -0.029124 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215288 ETOT(band)= -0.233516 trlgG= -0.293845 logG= -0.029124 TDE= -0.171174 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008973 tlogG= -0.048124 logG= -0.057097 Density= 0.425366 ETOT(band)= -0.468099 trlgG= -0.586402 logG= -0.057097 TDE= -0.341618 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001189 tlogG= -0.005176 logG= -0.006365 logGD-logG0= -0.004917 tlogG= -0.021319 logG= -0.026236 Density= 0.062512 ETOT(band)= -0.067512 trlgG= -0.084203 logG= -0.006365 TDE= -0.042341 Density= 0.162553 ETOT(band)= -0.172919 trlgG= -0.215921 logG= -0.026236 TDE= -0.169805 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009662 tlogG= -0.047683 logG= -0.057345 Density= 0.426486 ETOT(band)= -0.468139 trlgG= -0.586924 logG= -0.057345 TDE= -0.341633 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005987 logG= -0.007267 Density= 0.081012 ETOT(band)= -0.087516 trlgG= -0.110416 logG= -0.007267 TDE= -0.042876 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.024015 logG= -0.029252 logGD-logG0= -0.004976 tlogG= -0.022920 logG= -0.027897 Density= 0.215562 ETOT(band)= -0.233763 trlgG= -0.294817 logG= -0.029252 TDE= -0.171496 Density= 0.214695 ETOT(band)= -0.232295 trlgG= -0.289674 logG= -0.027897 TDE= -0.170352 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023814 logG= -0.029084 Density= 0.215215 ETOT(band)= -0.233666 trlgG= -0.294163 logG= -0.029084 TDE= -0.171343 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.023500 logG= -0.028760 Density= 0.215100 ETOT(band)= -0.233229 trlgG= -0.292897 logG= -0.028760 TDE= -0.171087 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.024014 logG= -0.029215 Density= 0.216223 ETOT(band)= -0.233250 trlgG= -0.294348 logG= -0.029215 TDE= -0.171514 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.024020 logG= -0.028802 Density= 0.321405 ETOT(band)= -0.350950 trlgG= -0.441316 logG= -0.028802 TDE= -0.171145 logGD-logG0= -0.004958 tlogG= -0.022307 logG= -0.027265 Density= 0.214166 ETOT(band)= -0.232330 trlgG= -0.289421 logG= -0.027265 TDE= -0.170087 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005213 tlogG= -0.023777 logG= -0.028990 Density= 0.216149 ETOT(band)= -0.232947 trlgG= -0.293411 logG= -0.028990 TDE= -0.171346 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023987 logG= -0.028572 Density= 0.212723 ETOT(band)= -0.234151 trlgG= -0.293460 logG= -0.028572 TDE= -0.170752 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.024136 logG= -0.029465 Density= 0.215593 ETOT(band)= -0.233920 trlgG= -0.295232 logG= -0.029465 TDE= -0.171527 logGD-logG0= -0.005053 tlogG= -0.024177 logG= -0.029231 logGD-logG0= -0.005378 tlogG= -0.023912 logG= -0.029290 Density= 0.322267 ETOT(band)= -0.351072 trlgG= -0.441998 logG= -0.029231 TDE= -0.171151 Density= 0.215522 ETOT(band)= -0.233665 trlgG= -0.294545 logG= -0.029290 TDE= -0.171351 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023899 logG= -0.028823 Density= 0.213689 ETOT(band)= -0.233899 trlgG= -0.292980 logG= -0.028823 TDE= -0.170711 logGD-logG0= -0.005084 tlogG= -0.023861 logG= -0.028945 Density= 0.215374 ETOT(band)= -0.233663 trlgG= -0.294264 logG= -0.028945 TDE= -0.171030 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010430 tlogG= -0.047815 logG= -0.058245 Density= 0.324156 ETOT(band)= -0.349779 trlgG= -0.441019 logG= -0.058245 TDE= -0.342867 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.022984 logG= -0.028174 Density= 0.216102 ETOT(band)= -0.231991 trlgG= -0.290587 logG= -0.028174 TDE= -0.170821 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.045665 logG= -0.055858 Density= 0.323866 ETOT(band)= -0.347804 trlgG= -0.434961 logG= -0.055858 TDE= -0.341297 logGD-logG0= -0.010475 tlogG= -0.047265 logG= -0.057740 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010710 tlogG= -0.048072 logG= -0.058782 Density= 0.323943 ETOT(band)= -0.349410 trlgG= -0.439669 logG= -0.057740 TDE= -0.342476 logGD-logG0= -0.004693 tlogG= -0.023382 logG= -0.028075 Density= 0.321481 ETOT(band)= -0.349899 trlgG= -0.438736 logG= -0.028075 TDE= -0.170820 Density= 0.323063 ETOT(band)= -0.350843 trlgG= -0.442350 logG= -0.058782 TDE= -0.342857 logGD-logG0= -0.005257 tlogG= -0.024101 logG= -0.029358 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.023850 logG= -0.028694 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213477 ETOT(band)= -0.234035 trlgG= -0.293716 logG= -0.028694 TDE= -0.170967 Density= 0.322879 ETOT(band)= -0.351050 trlgG= -0.442651 logG= -0.029358 TDE= -0.171340 logGD-logG0= -0.010470 tlogG= -0.046446 logG= -0.056916 Density= 0.323813 ETOT(band)= -0.348751 trlgG= -0.437581 logG= -0.056916 TDE= -0.341920 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023971 logG= -0.029334 logGD-logG0= -0.001696 tlogG= -0.007123 logG= -0.008819 Density= 0.323473 ETOT(band)= -0.350519 trlgG= -0.442100 logG= -0.029334 TDE= -0.171399 Density= 0.072190 ETOT(band)= -0.076449 trlgG= -0.094842 logG= -0.008819 TDE= -0.056597 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.023261 logG= -0.028299 Density= 0.321543 ETOT(band)= -0.350409 trlgG= -0.439589 logG= -0.028299 TDE= -0.170774 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009465 tlogG= -0.046742 logG= -0.056207 Density= 0.427705 ETOT(band)= -0.465905 trlgG= -0.581798 logG= -0.056207 TDE= -0.341057 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009701 tlogG= -0.046636 logG= -0.056337 Density= 0.322541 ETOT(band)= -0.348862 trlgG= -0.436387 logG= -0.056337 TDE= -0.341451 logGD-logG0= -0.004661 tlogG= -0.023385 logG= -0.028046 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214084 ETOT(band)= -0.233263 trlgG= -0.292316 logG= -0.028046 TDE= -0.170828 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.023373 logG= -0.028815 Density= 0.214993 ETOT(band)= -0.233255 trlgG= -0.292701 logG= -0.028815 TDE= -0.170880 logGD-logG0= -0.009659 tlogG= -0.047868 logG= -0.057527 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427833 ETOT(band)= -0.467938 trlgG= -0.587806 logG= -0.057527 TDE= -0.342104 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004927 tlogG= -0.022487 logG= -0.027414 Density= 0.214921 ETOT(band)= -0.231559 trlgG= -0.288031 logG= -0.027414 TDE= -0.170100 logGD-logG0= -0.010162 tlogG= -0.048178 logG= -0.058341 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429077 ETOT(band)= -0.468064 trlgG= -0.588586 logG= -0.058341 TDE= -0.342152 logGD-logG0= -0.009617 tlogG= -0.047801 logG= -0.057418 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426986 ETOT(band)= -0.467693 trlgG= -0.585783 logG= -0.057418 TDE= -0.341336 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010504 tlogG= -0.048104 logG= -0.058608 Density= 0.429909 ETOT(band)= -0.467905 trlgG= -0.589028 logG= -0.058608 TDE= -0.342486 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009521 tlogG= -0.046637 logG= -0.056158 Density= 0.427901 ETOT(band)= -0.466631 trlgG= -0.584409 logG= -0.056158 TDE= -0.341474 logGD-logG0= -0.009950 tlogG= -0.046431 logG= -0.056380 logGD-logG0= -0.010782 tlogG= -0.047720 logG= -0.058502 Density= 0.430848 ETOT(band)= -0.467279 trlgG= -0.588685 logG= -0.058502 TDE= -0.342610 Density= 0.429322 ETOT(band)= -0.465350 trlgG= -0.581492 logG= -0.056380 TDE= -0.341171 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047987 logG= -0.058318 Density= 0.428982 ETOT(band)= -0.468025 trlgG= -0.588226 logG= -0.058318 TDE= -0.341987 logGD-logG0= -0.010271 tlogG= -0.047699 logG= -0.057970 Density= 0.428083 ETOT(band)= -0.467926 trlgG= -0.587140 logG= -0.057970 TDE= -0.341745 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.048253 logG= -0.058548 Density= 0.429803 ETOT(band)= -0.468074 trlgG= -0.589354 logG= -0.058548 TDE= -0.342360 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.047763 logG= -0.058435 logGD-logG0= -0.009834 tlogG= -0.047884 logG= -0.057718 Density= 0.428917 ETOT(band)= -0.467725 trlgG= -0.587793 logG= -0.057718 TDE= -0.342093 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430511 ETOT(band)= -0.467333 trlgG= -0.588321 logG= -0.058435 TDE= -0.342503 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005312 logG= -0.006519 Density= 0.081509 ETOT(band)= -0.085654 trlgG= -0.106214 logG= -0.006519 TDE= -0.042442 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010015 tlogG= -0.047589 logG= -0.057604 logGD-logG0= -0.010706 tlogG= -0.048045 logG= -0.058752 Density= 0.428399 ETOT(band)= -0.467270 trlgG= -0.586184 logG= -0.057604 TDE= -0.341790 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431083 ETOT(band)= -0.467564 trlgG= -0.589680 logG= -0.058752 TDE= -0.342875 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.021897 logG= -0.026986 Density= 0.216504 ETOT(band)= -0.230195 trlgG= -0.286488 logG= -0.026986 TDE= -0.170149 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009986 tlogG= -0.044655 logG= -0.054642 Density= 0.324110 ETOT(band)= -0.346533 trlgG= -0.431953 logG= -0.054642 TDE= -0.340621 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010731 tlogG= -0.047302 logG= -0.058033 logGD-logG0= -0.001227 tlogG= -0.005473 logG= -0.006700 Density= 0.081155 ETOT(band)= -0.086320 trlgG= -0.107370 logG= -0.006700 TDE= -0.042553 logGD-logG0= -0.010333 tlogG= -0.046963 logG= -0.057296 Density= 0.429659 ETOT(band)= -0.466272 trlgG= -0.584188 logG= -0.057296 TDE= -0.341455 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430247 ETOT(band)= -0.466906 trlgG= -0.586847 logG= -0.058033 TDE= -0.342120 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010257 tlogG= -0.047602 logG= -0.057860 Density= 0.429782 ETOT(band)= -0.466922 trlgG= -0.586119 logG= -0.057860 TDE= -0.341900 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.022343 logG= -0.027188 Density= 0.322711 ETOT(band)= -0.347828 trlgG= -0.433996 logG= -0.027188 TDE= -0.170169 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004958 tlogG= -0.021224 logG= -0.026182 Density= 0.216229 ETOT(band)= -0.229944 trlgG= -0.285537 logG= -0.026182 TDE= -0.169724 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005000 tlogG= -0.021369 logG= -0.026369 Density= 0.216895 ETOT(band)= -0.229088 trlgG= -0.284287 logG= -0.026369 TDE= -0.169817 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009836 tlogG= -0.044656 logG= -0.054492 Density= 0.431383 ETOT(band)= -0.461886 trlgG= -0.574725 logG= -0.054492 TDE= -0.340257 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.678576913922 eV TrLogG= -407.175353162310 eV Ratio to renormalize= 1.000545442420 rho-rho_expected=-0.011993191644 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964536715890963 0.940173636694990 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000854 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001490 tlogG= -0.007819 logG= -0.009308 Density= 0.035481 ETOT(band)= -0.038912 trlgG= -0.048611 logG= -0.009308 TDE= -0.056861 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001408 tlogG= -0.008052 logG= -0.009460 Density= 0.035303 ETOT(band)= -0.039062 trlgG= -0.048975 logG= -0.009460 TDE= -0.056984 logGD-logG0= -0.002330 tlogG= -0.011896 logG= -0.014226 Density= 0.053540 ETOT(band)= -0.058385 trlgG= -0.073274 logG= -0.014226 TDE= -0.085542 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004359 tlogG= -0.023997 logG= -0.028356 Density= 0.106136 ETOT(band)= -0.117081 trlgG= -0.146686 logG= -0.028356 TDE= -0.170851 logGD-logG0= -0.002426 tlogG= -0.012094 logG= -0.014520 Density= 0.053561 ETOT(band)= -0.058529 trlgG= -0.073637 logG= -0.014520 TDE= -0.085621 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004332 tlogG= -0.024074 logG= -0.028406 Density= 0.106084 ETOT(band)= -0.117124 trlgG= -0.146799 logG= -0.028406 TDE= -0.170889 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002338 tlogG= -0.011460 logG= -0.013798 logGD-logG0= -0.004634 tlogG= -0.023228 logG= -0.027862 Density= 0.106699 ETOT(band)= -0.116585 trlgG= -0.145482 logG= -0.027862 TDE= -0.170420 Density= 0.053714 ETOT(band)= -0.058054 trlgG= -0.072510 logG= -0.013798 TDE= -0.085293 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002608 tlogG= -0.012045 logG= -0.014653 Density= 0.053738 ETOT(band)= -0.058519 trlgG= -0.073695 logG= -0.014653 TDE= -0.085634 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004746 tlogG= -0.023523 logG= -0.028269 Density= 0.106734 ETOT(band)= -0.116777 trlgG= -0.145968 logG= -0.028269 TDE= -0.170517 logGD-logG0= -0.005023 tlogG= -0.022434 logG= -0.027456 Density= 0.107588 ETOT(band)= -0.115933 trlgG= -0.144463 logG= -0.027456 TDE= -0.170247 logGD-logG0= -0.004721 tlogG= -0.023012 logG= -0.027733 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106833 ETOT(band)= -0.116454 trlgG= -0.145220 logG= -0.027733 TDE= -0.170354 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023977 logG= -0.029125 Density= 0.108172 ETOT(band)= -0.116591 trlgG= -0.147126 logG= -0.029125 TDE= -0.171530 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024118 logG= -0.029123 Density= 0.107331 ETOT(band)= -0.117003 trlgG= -0.147159 logG= -0.029123 TDE= -0.171149 logGD-logG0= -0.005161 tlogG= -0.023790 logG= -0.028952 logGD-logG0= -0.005114 tlogG= -0.023010 logG= -0.028123 Density= 0.108081 ETOT(band)= -0.116083 trlgG= -0.145536 logG= -0.028123 TDE= -0.170897 Density= 0.108122 ETOT(band)= -0.116516 trlgG= -0.146847 logG= -0.028952 TDE= -0.171400 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002564 tlogG= -0.011997 logG= -0.014562 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023457 logG= -0.028613 Density= 0.108076 ETOT(band)= -0.116354 trlgG= -0.146311 logG= -0.028613 TDE= -0.171179 Density= 0.054109 ETOT(band)= -0.058284 trlgG= -0.073561 logG= -0.014562 TDE= -0.085775 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002633 tlogG= -0.012001 logG= -0.014634 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053956 ETOT(band)= -0.058404 trlgG= -0.073681 logG= -0.014634 TDE= -0.085746 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024097 logG= -0.029387 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107591 ETOT(band)= -0.117041 trlgG= -0.147536 logG= -0.029387 TDE= -0.171390 logGD-logG0= -0.004962 tlogG= -0.022198 logG= -0.027160 logGD-logG0= -0.004555 tlogG= -0.024069 logG= -0.028625 Density= 0.106351 ETOT(band)= -0.117115 trlgG= -0.146811 logG= -0.028625 TDE= -0.170815 Density= 0.108305 ETOT(band)= -0.115404 trlgG= -0.143982 logG= -0.027160 TDE= -0.170417 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002406 tlogG= -0.010440 logG= -0.012847 logGD-logG0= -0.004841 tlogG= -0.023714 logG= -0.028555 Density= 0.054350 ETOT(band)= -0.057060 trlgG= -0.070710 logG= -0.012847 TDE= -0.084758 Density= 0.107331 ETOT(band)= -0.116692 trlgG= -0.146416 logG= -0.028555 TDE= -0.170975 logGD-logG0= -0.005138 tlogG= -0.023632 logG= -0.028770 Density= 0.108147 ETOT(band)= -0.116401 trlgG= -0.146556 logG= -0.028770 TDE= -0.171303 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005045 tlogG= -0.022485 logG= -0.027530 logGD-logG0= -0.005009 tlogG= -0.023668 logG= -0.028677 Density= 0.106935 ETOT(band)= -0.116898 trlgG= -0.146312 logG= -0.028677 TDE= -0.170552 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108150 ETOT(band)= -0.115710 trlgG= -0.144589 logG= -0.027530 TDE= -0.170577 logGD-logG0= -0.005332 tlogG= -0.024159 logG= -0.029492 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.023243 logG= -0.028350 Density= 0.108139 ETOT(band)= -0.116177 trlgG= -0.145893 logG= -0.028350 TDE= -0.171055 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107757 ETOT(band)= -0.117038 trlgG= -0.147727 logG= -0.029492 TDE= -0.171559 logGD-logG0= -0.005298 tlogG= -0.023709 logG= -0.029007 logGD-logG0= -0.005241 tlogG= -0.023992 logG= -0.029233 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107185 ETOT(band)= -0.116971 trlgG= -0.146864 logG= -0.029007 TDE= -0.170898 logGD-logG0= -0.005136 tlogG= -0.023898 logG= -0.029034 Density= 0.107395 ETOT(band)= -0.117025 trlgG= -0.147261 logG= -0.029233 TDE= -0.171172 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.022875 logG= -0.027749 logGD-logG0= -0.001627 tlogG= -0.007001 logG= -0.008628 Density= 0.036178 ETOT(band)= -0.038118 trlgG= -0.047258 logG= -0.008628 TDE= -0.056533 logGD-logG0= -0.005041 tlogG= -0.022761 logG= -0.027802 Density= 0.108194 ETOT(band)= -0.115847 trlgG= -0.145025 logG= -0.027802 TDE= -0.170763 Density= 0.107699 ETOT(band)= -0.116063 trlgG= -0.144949 logG= -0.027749 TDE= -0.170495 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108192 ETOT(band)= -0.116527 trlgG= -0.146978 logG= -0.029034 TDE= -0.171483 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004719 tlogG= -0.023711 logG= -0.028430 logGD-logG0= -0.001694 tlogG= -0.007312 logG= -0.009006 Density= 0.106933 ETOT(band)= -0.116808 trlgG= -0.146503 logG= -0.028430 TDE= -0.170989 Density= 0.035829 ETOT(band)= -0.038565 trlgG= -0.047916 logG= -0.009006 TDE= -0.056640 logGD-logG0= -0.004914 tlogG= -0.023917 logG= -0.028832 logGD-logG0= -0.005121 tlogG= -0.022901 logG= -0.028022 Density= 0.107568 ETOT(band)= -0.116267 trlgG= -0.145360 logG= -0.028022 TDE= -0.170568 logGD-logG0= -0.004690 tlogG= -0.023692 logG= -0.028383 Density= 0.106560 ETOT(band)= -0.116922 trlgG= -0.146395 logG= -0.028383 TDE= -0.170743 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106715 ETOT(band)= -0.117079 trlgG= -0.146924 logG= -0.028832 TDE= -0.170901 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024113 logG= -0.029413 Density= 0.107834 ETOT(band)= -0.116950 trlgG= -0.147602 logG= -0.029413 TDE= -0.171551 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023928 logG= -0.029251 logGD-logG0= -0.005286 tlogG= -0.023896 logG= -0.029182 Density= 0.107862 ETOT(band)= -0.116776 trlgG= -0.147217 logG= -0.029182 TDE= -0.171411 Density= 0.107699 ETOT(band)= -0.116907 trlgG= -0.147322 logG= -0.029251 TDE= -0.171366 logGD-logG0= -0.004751 tlogG= -0.022877 logG= -0.027628 Density= 0.107254 ETOT(band)= -0.116204 trlgG= -0.145072 logG= -0.027628 TDE= -0.170518 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024085 logG= -0.029359 logGD-logG0= -0.005312 tlogG= -0.023223 logG= -0.028535 Density= 0.107892 ETOT(band)= -0.116883 trlgG= -0.147514 logG= -0.029359 TDE= -0.171545 Density= 0.107633 ETOT(band)= -0.116516 trlgG= -0.146171 logG= -0.028535 TDE= -0.170898 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009806 tlogG= -0.048294 logG= -0.058100 Density= 0.214309 ETOT(band)= -0.234086 trlgG= -0.294441 logG= -0.058100 TDE= -0.342391 logGD-logG0= -0.005323 tlogG= -0.023606 logG= -0.028929 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009130 tlogG= -0.047678 logG= -0.056808 Density= 0.212852 ETOT(band)= -0.233966 trlgG= -0.292925 logG= -0.056808 TDE= -0.341446 logGD-logG0= -0.004892 tlogG= -0.024094 logG= -0.028986 Density= 0.107748 ETOT(band)= -0.116679 trlgG= -0.146801 logG= -0.028929 TDE= -0.171191 Density= 0.107011 ETOT(band)= -0.117063 trlgG= -0.147182 logG= -0.028986 TDE= -0.171150 logGD-logG0= -0.009492 tlogG= -0.045811 logG= -0.055303 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214927 ETOT(band)= -0.232244 trlgG= -0.290049 logG= -0.055303 TDE= -0.341102 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009951 tlogG= -0.047950 logG= -0.057902 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213882 ETOT(band)= -0.234121 trlgG= -0.294125 logG= -0.057902 TDE= -0.342062 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009833 tlogG= -0.047204 logG= -0.057037 Density= 0.213695 ETOT(band)= -0.233718 trlgG= -0.292650 logG= -0.057037 TDE= -0.341361 logGD-logG0= -0.010528 tlogG= -0.047798 logG= -0.058327 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.048032 logG= -0.058363 Density= 0.214661 ETOT(band)= -0.234013 trlgG= -0.294274 logG= -0.058327 TDE= -0.342173 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214974 ETOT(band)= -0.233923 trlgG= -0.294371 logG= -0.058363 TDE= -0.342388 logGD-logG0= -0.009671 tlogG= -0.047209 logG= -0.056880 logGD-logG0= -0.009444 tlogG= -0.047498 logG= -0.056942 Density= 0.214223 ETOT(band)= -0.233507 trlgG= -0.292992 logG= -0.056942 TDE= -0.342059 Density= 0.213685 ETOT(band)= -0.233673 trlgG= -0.292858 logG= -0.056880 TDE= -0.341719 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.048133 logG= -0.058617 logGD-logG0= -0.004911 tlogG= -0.021593 logG= -0.026503 Density= 0.108459 ETOT(band)= -0.114854 trlgG= -0.142854 logG= -0.026503 TDE= -0.170021 Density= 0.214971 ETOT(band)= -0.234068 trlgG= -0.294788 logG= -0.058617 TDE= -0.342550 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009771 tlogG= -0.045641 logG= -0.055412 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214280 ETOT(band)= -0.232590 trlgG= -0.290221 logG= -0.055412 TDE= -0.340846 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009559 tlogG= -0.047979 logG= -0.057538 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213193 ETOT(band)= -0.234179 trlgG= -0.293570 logG= -0.057538 TDE= -0.341530 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.047711 logG= -0.057902 logGD-logG0= -0.010075 tlogG= -0.048080 logG= -0.058155 Density= 0.214438 ETOT(band)= -0.234034 trlgG= -0.294191 logG= -0.058155 TDE= -0.342151 logGD-logG0= -0.010392 tlogG= -0.047838 logG= -0.058230 Density= 0.213863 ETOT(band)= -0.234108 trlgG= -0.293877 logG= -0.057902 TDE= -0.341805 logGD-logG0= -0.004830 tlogG= -0.021018 logG= -0.025848 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214562 ETOT(band)= -0.234006 trlgG= -0.294104 logG= -0.058230 TDE= -0.342050 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108654 ETOT(band)= -0.114266 trlgG= -0.141698 logG= -0.025848 TDE= -0.169618 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010586 tlogG= -0.047475 logG= -0.058061 logGD-logG0= -0.010564 tlogG= -0.048067 logG= -0.058632 Density= 0.215008 ETOT(band)= -0.234060 trlgG= -0.294815 logG= -0.058632 TDE= -0.342580 logGD-logG0= -0.010419 tlogG= -0.047360 logG= -0.057779 Density= 0.215366 ETOT(band)= -0.233558 trlgG= -0.293922 logG= -0.058061 TDE= -0.342435 Density= 0.214173 ETOT(band)= -0.233903 trlgG= -0.293354 logG= -0.057779 TDE= -0.341559 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010621 tlogG= -0.047582 logG= -0.058203 logGD-logG0= -0.010547 tlogG= -0.047994 logG= -0.058541 Density= 0.215789 ETOT(band)= -0.233637 trlgG= -0.294729 logG= -0.058541 TDE= -0.342970 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215596 ETOT(band)= -0.233519 trlgG= -0.294165 logG= -0.058203 TDE= -0.342650 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010677 tlogG= -0.048199 logG= -0.058876 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215320 ETOT(band)= -0.234088 trlgG= -0.295255 logG= -0.058876 TDE= -0.342930 logGD-logG0= -0.010189 tlogG= -0.046465 logG= -0.056654 logGD-logG0= -0.002468 tlogG= -0.010854 logG= -0.013322 Density= 0.054038 ETOT(band)= -0.057576 trlgG= -0.071554 logG= -0.013322 TDE= -0.084973 Density= 0.215120 ETOT(band)= -0.232887 trlgG= -0.291676 logG= -0.056654 TDE= -0.341473 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010601 tlogG= -0.047943 logG= -0.058544 Density= 0.215662 ETOT(band)= -0.233708 trlgG= -0.294730 logG= -0.058544 TDE= -0.342906 logGD-logG0= -0.009799 tlogG= -0.047275 logG= -0.057075 Density= 0.214387 ETOT(band)= -0.233470 trlgG= -0.292768 logG= -0.057075 TDE= -0.341783 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010628 tlogG= -0.046933 logG= -0.057561 logGD-logG0= -0.005079 tlogG= -0.021843 logG= -0.026922 Density= 0.107742 ETOT(band)= -0.115505 trlgG= -0.143589 logG= -0.026922 TDE= -0.169983 Density= 0.215329 ETOT(band)= -0.233280 trlgG= -0.293121 logG= -0.057561 TDE= -0.342116 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.047205 logG= -0.057306 Density= 0.215054 ETOT(band)= -0.233289 trlgG= -0.292693 logG= -0.057306 TDE= -0.341806 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.021720 logG= -0.026740 Density= 0.107883 ETOT(band)= -0.115313 trlgG= -0.143281 logG= -0.026740 TDE= -0.169927 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021903 logG= -0.026900 Density= 0.108270 ETOT(band)= -0.115219 trlgG= -0.143533 logG= -0.026900 TDE= -0.170210 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009876 tlogG= -0.045701 logG= -0.055577 Density= 0.215057 ETOT(band)= -0.232322 trlgG= -0.290042 logG= -0.055577 TDE= -0.340886 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010034 tlogG= -0.043441 logG= -0.053475 Density= 0.216176 ETOT(band)= -0.230418 trlgG= -0.286541 logG= -0.053475 TDE= -0.340041 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001435 tlogG= -0.007973 logG= -0.009408 Density= 0.070844 ETOT(band)= -0.077925 trlgG= -0.097465 logG= -0.009408 TDE= -0.056945 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001583 tlogG= -0.006883 logG= -0.008467 Density= 0.040826 ETOT(band)= -0.042665 trlgG= -0.052811 logG= -0.008467 TDE= -0.056447 logGD-logG0= -0.004609 tlogG= -0.023913 logG= -0.028522 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213205 ETOT(band)= -0.233794 trlgG= -0.292538 logG= -0.028522 TDE= -0.170734 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004439 tlogG= -0.023763 logG= -0.028202 Density= 0.213015 ETOT(band)= -0.233515 trlgG= -0.291803 logG= -0.028202 TDE= -0.170730 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023609 logG= -0.028104 Density= 0.212551 ETOT(band)= -0.233920 trlgG= -0.292776 logG= -0.028104 TDE= -0.170645 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005990 logG= -0.007268 Density= 0.081020 ETOT(band)= -0.087533 trlgG= -0.110440 logG= -0.007268 TDE= -0.042884 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.022929 logG= -0.027903 Density= 0.214709 ETOT(band)= -0.232341 trlgG= -0.289740 logG= -0.027903 TDE= -0.170382 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.007596 logG= -0.009170 Density= 0.071470 ETOT(band)= -0.077327 trlgG= -0.096171 logG= -0.009170 TDE= -0.056721 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005755 logG= -0.007014 Density= 0.080601 ETOT(band)= -0.087376 trlgG= -0.109631 logG= -0.007014 TDE= -0.042734 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005862 logG= -0.007137 logGD-logG0= -0.001279 tlogG= -0.005946 logG= -0.007225 Density= 0.080793 ETOT(band)= -0.087629 trlgG= -0.110385 logG= -0.007225 TDE= -0.042854 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080612 ETOT(band)= -0.087592 trlgG= -0.110187 logG= -0.007137 TDE= -0.042800 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001239 tlogG= -0.005626 logG= -0.006865 Density= 0.080801 ETOT(band)= -0.086948 trlgG= -0.108629 logG= -0.006865 TDE= -0.042658 logGD-logG0= -0.004306 tlogG= -0.024154 logG= -0.028460 Density= 0.212106 ETOT(band)= -0.234298 trlgG= -0.293721 logG= -0.028460 TDE= -0.170927 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001206 tlogG= -0.005314 logG= -0.006520 logGD-logG0= -0.005187 tlogG= -0.023983 logG= -0.029170 Density= 0.216277 ETOT(band)= -0.233190 trlgG= -0.294180 logG= -0.029170 TDE= -0.171518 Density= 0.081516 ETOT(band)= -0.085670 trlgG= -0.106236 logG= -0.006520 TDE= -0.042449 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005372 tlogG= -0.023924 logG= -0.029296 Density= 0.215541 ETOT(band)= -0.233710 trlgG= -0.294611 logG= -0.029296 TDE= -0.171383 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.023826 logG= -0.029090 Density= 0.215233 ETOT(band)= -0.233711 trlgG= -0.294228 logG= -0.029090 TDE= -0.171375 logGD-logG0= -0.001188 tlogG= -0.005178 logG= -0.006366 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062516 ETOT(band)= -0.067526 trlgG= -0.084222 logG= -0.006366 TDE= -0.042348 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005231 tlogG= -0.024028 logG= -0.029258 Density= 0.215581 ETOT(band)= -0.233808 trlgG= -0.294883 logG= -0.029258 TDE= -0.171527 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023710 logG= -0.029130 Density= 0.215306 ETOT(band)= -0.233561 trlgG= -0.293911 logG= -0.029130 TDE= -0.171205 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005257 tlogG= -0.023509 logG= -0.028766 Density= 0.215117 ETOT(band)= -0.233274 trlgG= -0.292963 logG= -0.028766 TDE= -0.171118 logGD-logG0= -0.005194 tlogG= -0.024026 logG= -0.029220 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216243 ETOT(band)= -0.233294 trlgG= -0.294412 logG= -0.029220 TDE= -0.171545 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001695 tlogG= -0.007126 logG= -0.008821 logGD-logG0= -0.009461 tlogG= -0.046760 logG= -0.056220 Density= 0.427732 ETOT(band)= -0.466001 trlgG= -0.581934 logG= -0.056220 TDE= -0.341119 Density= 0.072195 ETOT(band)= -0.076463 trlgG= -0.094862 logG= -0.008821 TDE= -0.056607 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004954 tlogG= -0.022317 logG= -0.027271 Density= 0.214179 ETOT(band)= -0.232378 trlgG= -0.289488 logG= -0.027271 TDE= -0.170117 logGD-logG0= -0.004912 tlogG= -0.021329 logG= -0.026241 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.162566 ETOT(band)= -0.172952 trlgG= -0.215966 logG= -0.026241 TDE= -0.169834 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005081 tlogG= -0.023871 logG= -0.028952 logGD-logG0= -0.009660 tlogG= -0.047699 logG= -0.057359 Density= 0.426513 ETOT(band)= -0.468237 trlgG= -0.587064 logG= -0.057359 TDE= -0.341696 Density= 0.215393 ETOT(band)= -0.233708 trlgG= -0.294331 logG= -0.028952 TDE= -0.171062 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.022496 logG= -0.027420 Density= 0.214935 ETOT(band)= -0.231605 trlgG= -0.288096 logG= -0.027420 TDE= -0.170131 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.024031 logG= -0.028809 Density= 0.321429 ETOT(band)= -0.351021 trlgG= -0.441417 logG= -0.028809 TDE= -0.171176 logGD-logG0= -0.005050 tlogG= -0.024188 logG= -0.029237 Density= 0.322293 ETOT(band)= -0.351141 trlgG= -0.442099 logG= -0.029237 TDE= -0.171182 logGD-logG0= -0.005123 tlogG= -0.022467 logG= -0.027590 Density= 0.216266 ETOT(band)= -0.231237 trlgG= -0.288665 logG= -0.027590 TDE= -0.170518 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.023907 logG= -0.028830 logGD-logG0= -0.004583 tlogG= -0.023996 logG= -0.028579 Density= 0.212735 ETOT(band)= -0.234201 trlgG= -0.293529 logG= -0.028579 TDE= -0.170782 Density= 0.213704 ETOT(band)= -0.233947 trlgG= -0.293049 logG= -0.028830 TDE= -0.170742 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.023442 logG= -0.028655 logGD-logG0= -0.005207 tlogG= -0.023789 logG= -0.028996 logGD-logG0= -0.005084 tlogG= -0.023982 logG= -0.029065 Density= 0.214249 ETOT(band)= -0.234037 trlgG= -0.293962 logG= -0.029065 TDE= -0.171013 Density= 0.216169 ETOT(band)= -0.232991 trlgG= -0.293475 logG= -0.028996 TDE= -0.171377 Density= 0.216091 ETOT(band)= -0.232610 trlgG= -0.292266 logG= -0.028655 TDE= -0.171138 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024148 logG= -0.029472 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215612 ETOT(band)= -0.233965 trlgG= -0.295299 logG= -0.029472 TDE= -0.171559 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.024182 logG= -0.029206 Density= 0.214646 ETOT(band)= -0.234112 trlgG= -0.294581 logG= -0.029206 TDE= -0.171187 logGD-logG0= -0.005185 tlogG= -0.022995 logG= -0.028180 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216120 ETOT(band)= -0.232035 trlgG= -0.290650 logG= -0.028180 TDE= -0.170852 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047839 logG= -0.058257 logGD-logG0= -0.004689 tlogG= -0.023393 logG= -0.028082 Density= 0.321503 ETOT(band)= -0.349970 trlgG= -0.438837 logG= -0.028082 TDE= -0.170851 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324185 ETOT(band)= -0.349845 trlgG= -0.441115 logG= -0.058257 TDE= -0.342930 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010459 tlogG= -0.046469 logG= -0.056928 logGD-logG0= -0.005254 tlogG= -0.024110 logG= -0.029365 Density= 0.323840 ETOT(band)= -0.348817 trlgG= -0.437677 logG= -0.056928 TDE= -0.341981 Density= 0.322907 ETOT(band)= -0.351118 trlgG= -0.442752 logG= -0.029365 TDE= -0.171372 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023271 logG= -0.028306 Density= 0.321567 ETOT(band)= -0.350480 trlgG= -0.439690 logG= -0.028306 TDE= -0.170805 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.023861 logG= -0.028701 Density= 0.213491 ETOT(band)= -0.234084 trlgG= -0.293785 logG= -0.028701 TDE= -0.170998 logGD-logG0= -0.004788 tlogG= -0.023269 logG= -0.028057 Density= 0.213421 ETOT(band)= -0.233548 trlgG= -0.292266 logG= -0.028057 TDE= -0.170694 logGD-logG0= -0.010463 tlogG= -0.047289 logG= -0.057752 Density= 0.323972 ETOT(band)= -0.349476 trlgG= -0.439765 logG= -0.057752 TDE= -0.342538 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009979 tlogG= -0.044674 logG= -0.054653 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324135 ETOT(band)= -0.346600 trlgG= -0.432046 logG= -0.054653 TDE= -0.340681 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.048093 logG= -0.058795 Density= 0.323091 ETOT(band)= -0.350911 trlgG= -0.442450 logG= -0.058795 TDE= -0.342920 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004657 tlogG= -0.023396 logG= -0.028053 Density= 0.214098 ETOT(band)= -0.233311 trlgG= -0.292384 logG= -0.028053 TDE= -0.170859 logGD-logG0= -0.009694 tlogG= -0.046656 logG= -0.056350 Density= 0.322565 ETOT(band)= -0.348931 trlgG= -0.436485 logG= -0.056350 TDE= -0.341512 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010187 tlogG= -0.045683 logG= -0.055870 Density= 0.323891 ETOT(band)= -0.347871 trlgG= -0.435057 logG= -0.055870 TDE= -0.341358 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023220 logG= -0.028395 logGD-logG0= -0.005357 tlogG= -0.023983 logG= -0.029340 Density= 0.323502 ETOT(band)= -0.350586 trlgG= -0.442198 logG= -0.029340 TDE= -0.171431 Density= 0.214776 ETOT(band)= -0.232898 trlgG= -0.291271 logG= -0.028395 TDE= -0.170568 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.021907 logG= -0.026991 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216521 ETOT(band)= -0.230238 trlgG= -0.286549 logG= -0.026991 TDE= -0.170178 logGD-logG0= -0.008969 tlogG= -0.048142 logG= -0.057111 Density= 0.425390 ETOT(band)= -0.468199 trlgG= -0.586541 logG= -0.057111 TDE= -0.341680 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009651 tlogG= -0.047889 logG= -0.057540 Density= 0.427863 ETOT(band)= -0.468035 trlgG= -0.587943 logG= -0.057540 TDE= -0.342166 logGD-logG0= -0.010155 tlogG= -0.048199 logG= -0.058354 Density= 0.429111 ETOT(band)= -0.468157 trlgG= -0.588721 logG= -0.058354 TDE= -0.342213 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010498 tlogG= -0.048123 logG= -0.058621 Density= 0.429945 ETOT(band)= -0.467997 trlgG= -0.589164 logG= -0.058621 TDE= -0.342549 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005440 tlogG= -0.023381 logG= -0.028821 Density= 0.215010 ETOT(band)= -0.233300 trlgG= -0.292768 logG= -0.028821 TDE= -0.170912 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010666 tlogG= -0.047782 logG= -0.058448 Density= 0.430547 ETOT(band)= -0.467424 trlgG= -0.588455 logG= -0.058448 TDE= -0.342567 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009827 tlogG= -0.047904 logG= -0.057731 Density= 0.428949 ETOT(band)= -0.467819 trlgG= -0.587926 logG= -0.057731 TDE= -0.342154 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.048007 logG= -0.058331 Density= 0.429016 ETOT(band)= -0.468118 trlgG= -0.588363 logG= -0.058331 TDE= -0.342050 logGD-logG0= -0.010265 tlogG= -0.047719 logG= -0.057983 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.021379 logG= -0.026374 Density= 0.216913 ETOT(band)= -0.229131 trlgG= -0.284346 logG= -0.026374 TDE= -0.169847 Density= 0.428114 ETOT(band)= -0.468021 trlgG= -0.587276 logG= -0.057983 TDE= -0.341807 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009614 tlogG= -0.047818 logG= -0.057432 Density= 0.427014 ETOT(band)= -0.467790 trlgG= -0.585920 logG= -0.057432 TDE= -0.341398 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010288 tlogG= -0.048273 logG= -0.058561 logGD-logG0= -0.009513 tlogG= -0.046657 logG= -0.056171 Density= 0.429839 ETOT(band)= -0.468167 trlgG= -0.589491 logG= -0.058561 TDE= -0.342424 Density= 0.427929 ETOT(band)= -0.466727 trlgG= -0.584545 logG= -0.056171 TDE= -0.341536 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010770 tlogG= -0.047745 logG= -0.058515 Density= 0.430885 ETOT(band)= -0.467369 trlgG= -0.588817 logG= -0.058515 TDE= -0.342674 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010694 tlogG= -0.048070 logG= -0.058765 logGD-logG0= -0.010008 tlogG= -0.047610 logG= -0.057617 Density= 0.428430 ETOT(band)= -0.467365 trlgG= -0.586318 logG= -0.057617 TDE= -0.341852 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431121 ETOT(band)= -0.467654 trlgG= -0.589812 logG= -0.058765 TDE= -0.342938 logGD-logG0= -0.004745 tlogG= -0.024032 logG= -0.028777 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214032 ETOT(band)= -0.234026 trlgG= -0.294179 logG= -0.028777 TDE= -0.171180 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010326 tlogG= -0.046982 logG= -0.057309 Density= 0.429691 ETOT(band)= -0.466365 trlgG= -0.584322 logG= -0.057309 TDE= -0.341518 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004841 tlogG= -0.022353 logG= -0.027194 Density= 0.322734 ETOT(band)= -0.347898 trlgG= -0.434093 logG= -0.027194 TDE= -0.170199 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010726 tlogG= -0.047321 logG= -0.058046 Density= 0.430282 ETOT(band)= -0.466997 trlgG= -0.586981 logG= -0.058046 TDE= -0.342183 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010251 tlogG= -0.047622 logG= -0.057873 Density= 0.429816 ETOT(band)= -0.467014 trlgG= -0.586253 logG= -0.057873 TDE= -0.341963 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.021234 logG= -0.026187 Density= 0.216245 ETOT(band)= -0.229988 trlgG= -0.285598 logG= -0.026187 TDE= -0.169753 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001226 tlogG= -0.005475 logG= -0.006701 Density= 0.081161 ETOT(band)= -0.086336 trlgG= -0.107393 logG= -0.006701 TDE= -0.042561 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004801 tlogG= -0.022352 logG= -0.027153 Density= 0.214939 ETOT(band)= -0.231895 trlgG= -0.289141 logG= -0.027153 TDE= -0.170205 logGD-logG0= -0.009942 tlogG= -0.046451 logG= -0.056393 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429352 ETOT(band)= -0.465443 trlgG= -0.581624 logG= -0.056393 TDE= -0.341232 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009828 tlogG= -0.044676 logG= -0.054504 Density= 0.431414 ETOT(band)= -0.461977 trlgG= -0.574852 logG= -0.054504 TDE= -0.340317 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.743119095463 eV TrLogG= -407.279049561998 eV Ratio to renormalize= 1.000469457517 rho-rho_expected=-0.010323219062 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 94 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964697451785921 0.940502763976196 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001406 tlogG= -0.008060 logG= -0.009466 Density= 0.035307 ETOT(band)= -0.039084 trlgG= -0.049005 logG= -0.009466 TDE= -0.057010 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004326 tlogG= -0.024097 logG= -0.028423 Density= 0.106098 ETOT(band)= -0.117189 trlgG= -0.146888 logG= -0.028423 TDE= -0.170968 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004353 tlogG= -0.024020 logG= -0.028373 Density= 0.106150 ETOT(band)= -0.117145 trlgG= -0.146775 logG= -0.028373 TDE= -0.170930 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004627 tlogG= -0.023251 logG= -0.027878 Density= 0.106714 ETOT(band)= -0.116646 trlgG= -0.145568 logG= -0.027878 TDE= -0.170498 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.022457 logG= -0.027470 Density= 0.107607 ETOT(band)= -0.115991 trlgG= -0.144544 logG= -0.027470 TDE= -0.170323 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004898 tlogG= -0.021617 logG= -0.026515 Density= 0.108481 ETOT(band)= -0.114908 trlgG= -0.142929 logG= -0.026515 TDE= -0.170095 logGD-logG0= -0.004817 tlogG= -0.021042 logG= -0.025859 Density= 0.108676 ETOT(band)= -0.114320 trlgG= -0.141771 logG= -0.025859 TDE= -0.169691 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005068 tlogG= -0.021867 logG= -0.026935 Density= 0.107761 ETOT(band)= -0.115562 trlgG= -0.143668 logG= -0.026935 TDE= -0.170058 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000855 logG= -0.001050 Density= 0.004542 ETOT(band)= -0.004734 trlgG= -0.005856 logG= -0.001050 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002325 tlogG= -0.011909 logG= -0.014234 Density= 0.053549 ETOT(band)= -0.058415 trlgG= -0.073316 logG= -0.014234 TDE= -0.085581 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002604 tlogG= -0.012057 logG= -0.014661 Density= 0.053749 ETOT(band)= -0.058548 trlgG= -0.073737 logG= -0.014661 TDE= -0.085674 logGD-logG0= -0.002421 tlogG= -0.012107 logG= -0.014528 Density= 0.053571 ETOT(band)= -0.058559 trlgG= -0.073679 logG= -0.014528 TDE= -0.085660 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001487 tlogG= -0.007827 logG= -0.009314 Density= 0.035485 ETOT(band)= -0.038933 trlgG= -0.048641 logG= -0.009314 TDE= -0.056887 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002332 tlogG= -0.011473 logG= -0.013805 Density= 0.053723 ETOT(band)= -0.058084 trlgG= -0.072552 logG= -0.013805 TDE= -0.085331 logGD-logG0= -0.002557 tlogG= -0.012012 logG= -0.014568 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054122 ETOT(band)= -0.058311 trlgG= -0.073600 logG= -0.014568 TDE= -0.085814 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023819 logG= -0.028965 logGD-logG0= -0.005142 tlogG= -0.023485 logG= -0.028627 Density= 0.108147 ETOT(band)= -0.116571 trlgG= -0.146926 logG= -0.028965 TDE= -0.171477 Density= 0.108100 ETOT(band)= -0.116409 trlgG= -0.146390 logG= -0.028627 TDE= -0.171256 logGD-logG0= -0.005283 tlogG= -0.024120 logG= -0.029403 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107614 ETOT(band)= -0.117098 trlgG= -0.147620 logG= -0.029403 TDE= -0.171470 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.023037 logG= -0.028137 logGD-logG0= -0.004551 tlogG= -0.024091 logG= -0.028642 Density= 0.108104 ETOT(band)= -0.116138 trlgG= -0.145615 logG= -0.028137 TDE= -0.170973 logGD-logG0= -0.004950 tlogG= -0.022223 logG= -0.027173 Density= 0.106367 ETOT(band)= -0.117179 trlgG= -0.146898 logG= -0.028642 TDE= -0.170892 Density= 0.108327 ETOT(band)= -0.115459 trlgG= -0.144058 logG= -0.027173 TDE= -0.170491 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005032 tlogG= -0.022511 logG= -0.027543 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.022899 logG= -0.027764 Density= 0.108172 ETOT(band)= -0.115765 trlgG= -0.144667 logG= -0.027543 TDE= -0.170652 Density= 0.107719 ETOT(band)= -0.116120 trlgG= -0.145030 logG= -0.027764 TDE= -0.170571 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.024005 logG= -0.029139 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024143 logG= -0.029428 Density= 0.108197 ETOT(band)= -0.116646 trlgG= -0.147205 logG= -0.029139 TDE= -0.171607 Density= 0.107858 ETOT(band)= -0.117006 trlgG= -0.147684 logG= -0.029428 TDE= -0.171630 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023270 logG= -0.028363 Density= 0.108163 ETOT(band)= -0.116232 trlgG= -0.145971 logG= -0.028363 TDE= -0.171132 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023660 logG= -0.028783 Density= 0.108172 ETOT(band)= -0.116455 trlgG= -0.146635 logG= -0.028783 TDE= -0.171380 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005289 tlogG= -0.023733 logG= -0.029022 logGD-logG0= -0.005006 tlogG= -0.023686 logG= -0.028693 Density= 0.107206 ETOT(band)= -0.117030 trlgG= -0.146950 logG= -0.029022 TDE= -0.170978 Density= 0.106954 ETOT(band)= -0.116958 trlgG= -0.146398 logG= -0.028693 TDE= -0.170632 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005120 tlogG= -0.023927 logG= -0.029047 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108218 ETOT(band)= -0.116581 trlgG= -0.147056 logG= -0.029047 TDE= -0.171560 logGD-logG0= -0.005315 tlogG= -0.023951 logG= -0.029266 logGD-logG0= -0.004832 tlogG= -0.023738 logG= -0.028570 Density= 0.107352 ETOT(band)= -0.116751 trlgG= -0.146498 logG= -0.028570 TDE= -0.171052 Density= 0.107723 ETOT(band)= -0.116964 trlgG= -0.147405 logG= -0.029266 TDE= -0.171445 logGD-logG0= -0.005317 tlogG= -0.024190 logG= -0.029507 Density= 0.107781 ETOT(band)= -0.117094 trlgG= -0.147810 logG= -0.029507 TDE= -0.171639 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.024017 logG= -0.029249 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107417 ETOT(band)= -0.117083 trlgG= -0.147346 logG= -0.029249 TDE= -0.171253 logGD-logG0= -0.002626 tlogG= -0.012016 logG= -0.014641 logGD-logG0= -0.005028 tlogG= -0.022788 logG= -0.027816 Density= 0.108217 ETOT(band)= -0.115902 trlgG= -0.145103 logG= -0.027816 TDE= -0.170839 logGD-logG0= -0.005113 tlogG= -0.022924 logG= -0.028037 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053968 ETOT(band)= -0.058432 trlgG= -0.073721 logG= -0.014641 TDE= -0.085786 logGD-logG0= -0.004686 tlogG= -0.023713 logG= -0.028399 logGD-logG0= -0.004912 tlogG= -0.023936 logG= -0.028848 Density= 0.106734 ETOT(band)= -0.117141 trlgG= -0.147011 logG= -0.028848 TDE= -0.170980 Density= 0.106576 ETOT(band)= -0.116985 trlgG= -0.146483 logG= -0.028399 TDE= -0.170822 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107588 ETOT(band)= -0.116325 trlgG= -0.145442 logG= -0.028037 TDE= -0.170645 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004709 tlogG= -0.023737 logG= -0.028446 Density= 0.106951 ETOT(band)= -0.116869 trlgG= -0.146589 logG= -0.028446 TDE= -0.171067 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023545 logG= -0.028285 Density= 0.106751 ETOT(band)= -0.116838 trlgG= -0.146053 logG= -0.028285 TDE= -0.170593 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004996 tlogG= -0.024142 logG= -0.029138 Density= 0.107352 ETOT(band)= -0.117062 trlgG= -0.147241 logG= -0.029138 TDE= -0.171226 logGD-logG0= -0.005305 tlogG= -0.023245 logG= -0.028550 Density= 0.107655 ETOT(band)= -0.116573 trlgG= -0.146252 logG= -0.028550 TDE= -0.170976 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023926 logG= -0.029196 logGD-logG0= -0.004882 tlogG= -0.024120 logG= -0.029002 Density= 0.107886 ETOT(band)= -0.116832 trlgG= -0.147298 logG= -0.029196 TDE= -0.171489 Density= 0.107031 ETOT(band)= -0.117123 trlgG= -0.147266 logG= -0.029002 TDE= -0.171229 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.022902 logG= -0.027643 Density= 0.107272 ETOT(band)= -0.116263 trlgG= -0.145155 logG= -0.027643 TDE= -0.170596 logGD-logG0= -0.005259 tlogG= -0.024115 logG= -0.029374 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023635 logG= -0.028943 Density= 0.107917 ETOT(band)= -0.116939 trlgG= -0.147595 logG= -0.029374 TDE= -0.171624 Density= 0.107771 ETOT(band)= -0.116735 trlgG= -0.146883 logG= -0.028943 TDE= -0.171270 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.045860 logG= -0.055332 logGD-logG0= -0.009120 tlogG= -0.047722 logG= -0.056842 logGD-logG0= -0.009787 tlogG= -0.048345 logG= -0.058132 Density= 0.212884 ETOT(band)= -0.234092 trlgG= -0.293097 logG= -0.056842 TDE= -0.341601 Density= 0.214965 ETOT(band)= -0.232362 trlgG= -0.290213 logG= -0.055332 TDE= -0.341256 Density= 0.214350 ETOT(band)= -0.234205 trlgG= -0.294608 logG= -0.058132 TDE= -0.342547 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009751 tlogG= -0.045691 logG= -0.055442 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009651 tlogG= -0.047261 logG= -0.056913 Density= 0.213720 ETOT(band)= -0.233795 trlgG= -0.293029 logG= -0.056913 TDE= -0.341876 Density= 0.214315 ETOT(band)= -0.232710 trlgG= -0.290389 logG= -0.055442 TDE= -0.341001 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010511 tlogG= -0.047847 logG= -0.058358 logGD-logG0= -0.009826 tlogG= -0.047243 logG= -0.057069 logGD-logG0= -0.009932 tlogG= -0.048002 logG= -0.057934 Density= 0.213920 ETOT(band)= -0.234242 trlgG= -0.294295 logG= -0.057934 TDE= -0.342219 logGD-logG0= -0.009552 tlogG= -0.048019 logG= -0.057572 logGD-logG0= -0.009424 tlogG= -0.047549 logG= -0.056973 Density= 0.214705 ETOT(band)= -0.234129 trlgG= -0.294444 logG= -0.058358 TDE= -0.342333 Density= 0.213731 ETOT(band)= -0.233839 trlgG= -0.292820 logG= -0.057069 TDE= -0.341516 Density= 0.213228 ETOT(band)= -0.234303 trlgG= -0.293745 logG= -0.057572 TDE= -0.341689 Density= 0.214261 ETOT(band)= -0.233627 trlgG= -0.293160 logG= -0.056973 TDE= -0.342214 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010316 tlogG= -0.048079 logG= -0.058394 logGD-logG0= -0.002400 tlogG= -0.010452 logG= -0.012852 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054361 ETOT(band)= -0.057087 trlgG= -0.070746 logG= -0.012852 TDE= -0.084794 Density= 0.215019 ETOT(band)= -0.234039 trlgG= -0.294540 logG= -0.058394 TDE= -0.342548 logGD-logG0= -0.010467 tlogG= -0.048181 logG= -0.058647 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215017 ETOT(band)= -0.234184 trlgG= -0.294956 logG= -0.058647 TDE= -0.342710 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010058 tlogG= -0.048130 logG= -0.058187 logGD-logG0= -0.010375 tlogG= -0.047887 logG= -0.058262 Density= 0.214605 ETOT(band)= -0.234123 trlgG= -0.294275 logG= -0.058262 TDE= -0.342210 Density= 0.214480 ETOT(band)= -0.234152 trlgG= -0.294357 logG= -0.058187 TDE= -0.342305 logGD-logG0= -0.009858 tlogG= -0.045749 logG= -0.055606 Density= 0.215096 ETOT(band)= -0.232438 trlgG= -0.290204 logG= -0.055606 TDE= -0.341039 logGD-logG0= -0.010178 tlogG= -0.047757 logG= -0.057935 Density= 0.213902 ETOT(band)= -0.234229 trlgG= -0.294047 logG= -0.057935 TDE= -0.341961 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001622 tlogG= -0.007009 logG= -0.008631 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036185 ETOT(band)= -0.038136 trlgG= -0.047282 logG= -0.008631 TDE= -0.056557 logGD-logG0= -0.010613 tlogG= -0.046977 logG= -0.057590 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010590 tlogG= -0.047641 logG= -0.058231 logGD-logG0= -0.010549 tlogG= -0.048114 logG= -0.058663 Density= 0.215053 ETOT(band)= -0.234175 trlgG= -0.294984 logG= -0.058663 TDE= -0.342740 Density= 0.215643 ETOT(band)= -0.233631 trlgG= -0.294328 logG= -0.058231 TDE= -0.342807 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215374 ETOT(band)= -0.233394 trlgG= -0.293285 logG= -0.057590 TDE= -0.342273 logGD-logG0= -0.001691 tlogG= -0.007319 logG= -0.009011 Density= 0.035835 ETOT(band)= -0.038585 trlgG= -0.047943 logG= -0.009011 TDE= -0.056665 logGD-logG0= -0.010662 tlogG= -0.048245 logG= -0.058907 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215367 ETOT(band)= -0.234202 trlgG= -0.295422 logG= -0.058907 TDE= -0.343090 logGD-logG0= -0.010572 tlogG= -0.047519 logG= -0.058091 Density= 0.215412 ETOT(band)= -0.233671 trlgG= -0.294087 logG= -0.058091 TDE= -0.342593 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010516 tlogG= -0.048054 logG= -0.058570 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.047402 logG= -0.057810 Density= 0.214213 ETOT(band)= -0.234022 trlgG= -0.293523 logG= -0.057810 TDE= -0.341716 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215838 ETOT(band)= -0.233748 trlgG= -0.294891 logG= -0.058570 TDE= -0.343128 logGD-logG0= -0.002462 tlogG= -0.010866 logG= -0.013328 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054048 ETOT(band)= -0.057604 trlgG= -0.071592 logG= -0.013328 TDE= -0.085010 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009781 tlogG= -0.047325 logG= -0.057106 Density= 0.214426 ETOT(band)= -0.233589 trlgG= -0.292934 logG= -0.057106 TDE= -0.341937 logGD-logG0= -0.010173 tlogG= -0.046510 logG= -0.056683 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.048003 logG= -0.058573 Density= 0.215710 ETOT(band)= -0.233821 trlgG= -0.294893 logG= -0.058573 TDE= -0.343064 Density= 0.215161 ETOT(band)= -0.233002 trlgG= -0.291840 logG= -0.056683 TDE= -0.341629 logGD-logG0= -0.004714 tlogG= -0.023035 logG= -0.027748 logGD-logG0= -0.010085 tlogG= -0.047251 logG= -0.057336 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215097 ETOT(band)= -0.233404 trlgG= -0.292859 logG= -0.057336 TDE= -0.341964 Density= 0.106849 ETOT(band)= -0.116515 trlgG= -0.145306 logG= -0.027748 TDE= -0.170432 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.021928 logG= -0.026913 Density= 0.108291 ETOT(band)= -0.115275 trlgG= -0.143609 logG= -0.026913 TDE= -0.170284 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004300 tlogG= -0.024178 logG= -0.028477 Density= 0.212134 ETOT(band)= -0.234429 trlgG= -0.293900 logG= -0.028477 TDE= -0.171006 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004433 tlogG= -0.023786 logG= -0.028219 Density= 0.213045 ETOT(band)= -0.233641 trlgG= -0.291977 logG= -0.028219 TDE= -0.170808 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004488 tlogG= -0.023632 logG= -0.028121 Density= 0.212579 ETOT(band)= -0.234048 trlgG= -0.292952 logG= -0.028121 TDE= -0.170723 logGD-logG0= -0.001185 tlogG= -0.005184 logG= -0.006369 Density= 0.062526 ETOT(band)= -0.067561 trlgG= -0.084270 logG= -0.006369 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.021744 logG= -0.026753 Density= 0.107903 ETOT(band)= -0.115370 trlgG= -0.143359 logG= -0.026753 TDE= -0.170002 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010012 tlogG= -0.043488 logG= -0.053500 Density= 0.216217 ETOT(band)= -0.230530 trlgG= -0.286695 logG= -0.053500 TDE= -0.340190 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004969 tlogG= -0.022949 logG= -0.027918 Density= 0.214746 ETOT(band)= -0.232459 trlgG= -0.289904 logG= -0.027918 TDE= -0.170459 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.022518 logG= -0.027435 Density= 0.214971 ETOT(band)= -0.231722 trlgG= -0.288258 logG= -0.027435 TDE= -0.170208 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005072 tlogG= -0.021933 logG= -0.027004 Density= 0.216564 ETOT(band)= -0.230349 trlgG= -0.286701 logG= -0.027004 TDE= -0.170253 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004982 tlogG= -0.021404 logG= -0.026386 Density= 0.216956 ETOT(band)= -0.229240 trlgG= -0.284495 logG= -0.026386 TDE= -0.169921 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001256 tlogG= -0.005761 logG= -0.007018 Density= 0.080616 ETOT(band)= -0.087420 trlgG= -0.109693 logG= -0.007018 TDE= -0.042753 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005953 logG= -0.007228 Density= 0.080810 ETOT(band)= -0.087671 trlgG= -0.110446 logG= -0.007228 TDE= -0.042873 logGD-logG0= -0.001271 tlogG= -0.005869 logG= -0.007140 Density= 0.080628 ETOT(band)= -0.087636 trlgG= -0.110249 logG= -0.007140 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005633 logG= -0.006868 Density= 0.080816 ETOT(band)= -0.086991 trlgG= -0.108690 logG= -0.006868 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.024057 logG= -0.029272 Density= 0.215629 ETOT(band)= -0.233921 trlgG= -0.295047 logG= -0.029272 TDE= -0.171606 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001433 tlogG= -0.007981 logG= -0.009414 Density= 0.070854 ETOT(band)= -0.077968 trlgG= -0.097524 logG= -0.009414 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023531 logG= -0.028781 Density= 0.215160 ETOT(band)= -0.233390 trlgG= -0.293126 logG= -0.028781 TDE= -0.171196 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.023855 logG= -0.029104 Density= 0.215279 ETOT(band)= -0.233826 trlgG= -0.294391 logG= -0.029104 TDE= -0.171453 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005997 logG= -0.007271 Density= 0.081038 ETOT(band)= -0.087574 trlgG= -0.110500 logG= -0.007271 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.023894 logG= -0.028967 Density= 0.215439 ETOT(band)= -0.233822 trlgG= -0.294496 logG= -0.028967 TDE= -0.171141 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005179 tlogG= -0.024055 logG= -0.029234 Density= 0.216294 ETOT(band)= -0.233403 trlgG= -0.294570 logG= -0.029234 TDE= -0.171623 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.024057 logG= -0.028825 Density= 0.321490 ETOT(band)= -0.351200 trlgG= -0.441668 logG= -0.028825 TDE= -0.171254 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.022491 logG= -0.027603 Density= 0.216309 ETOT(band)= -0.231348 trlgG= -0.288820 logG= -0.027603 TDE= -0.170594 logGD-logG0= -0.005308 tlogG= -0.024179 logG= -0.029487 Density= 0.215661 ETOT(band)= -0.234077 trlgG= -0.295464 logG= -0.029487 TDE= -0.171639 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010387 tlogG= -0.047898 logG= -0.058285 Density= 0.324260 ETOT(band)= -0.350009 trlgG= -0.441353 logG= -0.058285 TDE= -0.343086 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004579 tlogG= -0.024018 logG= -0.028596 Density= 0.212767 ETOT(band)= -0.234328 trlgG= -0.293701 logG= -0.028596 TDE= -0.170859 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023470 logG= -0.028669 Density= 0.216138 ETOT(band)= -0.232720 trlgG= -0.292424 logG= -0.028669 TDE= -0.171216 logGD-logG0= -0.005074 tlogG= -0.024007 logG= -0.029081 Density= 0.214290 ETOT(band)= -0.234156 trlgG= -0.294132 logG= -0.029081 TDE= -0.171091 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.006891 logG= -0.008470 Density= 0.040835 ETOT(band)= -0.042685 trlgG= -0.052838 logG= -0.008470 TDE= -0.056471 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005192 tlogG= -0.023817 logG= -0.029009 logGD-logG0= -0.004920 tlogG= -0.023926 logG= -0.028846 Density= 0.216218 ETOT(band)= -0.233100 trlgG= -0.293632 logG= -0.029009 TDE= -0.171455 logGD-logG0= -0.004679 tlogG= -0.023418 logG= -0.028097 logGD-logG0= -0.005041 tlogG= -0.024212 logG= -0.029253 Density= 0.322360 ETOT(band)= -0.351315 trlgG= -0.442349 logG= -0.029253 TDE= -0.171259 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213741 ETOT(band)= -0.234068 trlgG= -0.293222 logG= -0.028846 TDE= -0.170821 Density= 0.321560 ETOT(band)= -0.350150 trlgG= -0.439088 logG= -0.028097 TDE= -0.170928 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.024012 logG= -0.029184 logGD-logG0= -0.010434 tlogG= -0.047346 logG= -0.057780 Density= 0.324044 ETOT(band)= -0.349641 trlgG= -0.440004 logG= -0.057780 TDE= -0.342694 logGD-logG0= -0.005247 tlogG= -0.024133 logG= -0.029380 Density= 0.216328 ETOT(band)= -0.233299 trlgG= -0.294337 logG= -0.029184 TDE= -0.171596 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.024207 logG= -0.029222 Density= 0.322978 ETOT(band)= -0.351290 trlgG= -0.443004 logG= -0.029380 TDE= -0.171452 Density= 0.214689 ETOT(band)= -0.234229 trlgG= -0.294748 logG= -0.029222 TDE= -0.171264 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009675 tlogG= -0.046705 logG= -0.056380 Density= 0.322625 ETOT(band)= -0.349105 trlgG= -0.436729 logG= -0.056380 TDE= -0.341665 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004604 tlogG= -0.023935 logG= -0.028539 Density= 0.213238 ETOT(band)= -0.233918 trlgG= -0.292708 logG= -0.028539 TDE= -0.170811 logGD-logG0= -0.010679 tlogG= -0.048146 logG= -0.058825 logGD-logG0= -0.005356 tlogG= -0.023954 logG= -0.029311 Density= 0.215589 ETOT(band)= -0.233822 trlgG= -0.294774 logG= -0.029311 TDE= -0.171462 Density= 0.323162 ETOT(band)= -0.351081 trlgG= -0.442700 logG= -0.058825 TDE= -0.343080 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.023023 logG= -0.028194 logGD-logG0= -0.005027 tlogG= -0.023293 logG= -0.028320 Density= 0.216165 ETOT(band)= -0.232146 trlgG= -0.290808 logG= -0.028194 TDE= -0.170928 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321627 ETOT(band)= -0.350657 trlgG= -0.439941 logG= -0.028320 TDE= -0.170882 logGD-logG0= -0.010172 tlogG= -0.045726 logG= -0.055898 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323956 ETOT(band)= -0.348039 trlgG= -0.435295 logG= -0.055898 TDE= -0.341511 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.024014 logG= -0.029355 logGD-logG0= -0.004830 tlogG= -0.023888 logG= -0.028717 Density= 0.213527 ETOT(band)= -0.234207 trlgG= -0.293958 logG= -0.028717 TDE= -0.171077 Density= 0.323575 ETOT(band)= -0.350754 trlgG= -0.442443 logG= -0.029355 TDE= -0.171510 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.046524 logG= -0.056956 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.023295 logG= -0.028073 Density= 0.323908 ETOT(band)= -0.348984 trlgG= -0.437916 logG= -0.056956 TDE= -0.342136 Density= 0.213454 ETOT(band)= -0.233672 trlgG= -0.292439 logG= -0.028073 TDE= -0.170773 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005404 tlogG= -0.023740 logG= -0.029145 Density= 0.215353 ETOT(band)= -0.233674 trlgG= -0.294075 logG= -0.029145 TDE= -0.171285 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005434 tlogG= -0.023402 logG= -0.028837 logGD-logG0= -0.004647 tlogG= -0.023421 logG= -0.028068 Density= 0.214134 ETOT(band)= -0.233432 trlgG= -0.292553 logG= -0.028068 TDE= -0.170936 logGD-logG0= -0.004735 tlogG= -0.024058 logG= -0.028793 Density= 0.214071 ETOT(band)= -0.234146 trlgG= -0.294349 logG= -0.028793 TDE= -0.171258 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215053 ETOT(band)= -0.233415 trlgG= -0.292934 logG= -0.028837 TDE= -0.170991 logGD-logG0= -0.008959 tlogG= -0.048187 logG= -0.057146 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425452 ETOT(band)= -0.468454 trlgG= -0.586889 logG= -0.057146 TDE= -0.341835 logGD-logG0= -0.005171 tlogG= -0.023239 logG= -0.028410 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214816 ETOT(band)= -0.233015 trlgG= -0.291437 logG= -0.028410 TDE= -0.170646 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001572 tlogG= -0.007603 logG= -0.009175 Density= 0.071481 ETOT(band)= -0.077367 trlgG= -0.096226 logG= -0.009175 TDE= -0.056747 logGD-logG0= -0.009450 tlogG= -0.046803 logG= -0.056252 logGD-logG0= -0.010137 tlogG= -0.048249 logG= -0.058386 Density= 0.427800 ETOT(band)= -0.466244 trlgG= -0.582273 logG= -0.056252 TDE= -0.341276 Density= 0.429197 ETOT(band)= -0.468392 trlgG= -0.589057 logG= -0.058386 TDE= -0.342368 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004899 tlogG= -0.021354 logG= -0.026253 Density= 0.162601 ETOT(band)= -0.173033 trlgG= -0.216079 logG= -0.026253 TDE= -0.169907 logGD-logG0= -0.009632 tlogG= -0.047941 logG= -0.057573 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427940 ETOT(band)= -0.468276 trlgG= -0.588282 logG= -0.057573 TDE= -0.342322 logGD-logG0= -0.009493 tlogG= -0.046708 logG= -0.056201 Density= 0.428001 ETOT(band)= -0.466969 trlgG= -0.584884 logG= -0.056201 TDE= -0.341691 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010306 tlogG= -0.048057 logG= -0.058363 logGD-logG0= -0.010652 tlogG= -0.047826 logG= -0.058479 Density= 0.430640 ETOT(band)= -0.467651 trlgG= -0.588786 logG= -0.058479 TDE= -0.342726 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429101 ETOT(band)= -0.468353 trlgG= -0.588703 logG= -0.058363 TDE= -0.342209 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.048169 logG= -0.058652 Density= 0.430035 ETOT(band)= -0.468228 trlgG= -0.589501 logG= -0.058652 TDE= -0.342710 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010249 tlogG= -0.047767 logG= -0.058016 Density= 0.428193 ETOT(band)= -0.468260 trlgG= -0.587614 logG= -0.058016 TDE= -0.341963 logGD-logG0= -0.010739 tlogG= -0.047806 logG= -0.058545 Density= 0.430979 ETOT(band)= -0.467595 trlgG= -0.589146 logG= -0.058545 TDE= -0.342833 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.047954 logG= -0.057763 Density= 0.429032 ETOT(band)= -0.468055 trlgG= -0.588257 logG= -0.057763 TDE= -0.342308 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009654 tlogG= -0.047738 logG= -0.057392 logGD-logG0= -0.010272 tlogG= -0.048321 logG= -0.058592 Density= 0.429929 ETOT(band)= -0.468398 trlgG= -0.589829 logG= -0.058592 TDE= -0.342584 Density= 0.426583 ETOT(band)= -0.468485 trlgG= -0.587412 logG= -0.057392 TDE= -0.341854 logGD-logG0= -0.009608 tlogG= -0.047858 logG= -0.057465 Density= 0.427085 ETOT(band)= -0.468035 trlgG= -0.586263 logG= -0.057465 TDE= -0.341556 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009923 tlogG= -0.046500 logG= -0.056424 Density= 0.429428 ETOT(band)= -0.465678 trlgG= -0.581952 logG= -0.056424 TDE= -0.341386 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.047660 logG= -0.057649 logGD-logG0= -0.010711 tlogG= -0.047366 logG= -0.058076 Density= 0.428508 ETOT(band)= -0.467604 trlgG= -0.586652 logG= -0.057649 TDE= -0.342007 Density= 0.430372 ETOT(band)= -0.467225 trlgG= -0.587312 logG= -0.058076 TDE= -0.342342 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010663 tlogG= -0.048131 logG= -0.058795 Density= 0.431218 ETOT(band)= -0.467879 trlgG= -0.590141 logG= -0.058795 TDE= -0.343098 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022377 logG= -0.027207 Density= 0.322791 ETOT(band)= -0.348072 trlgG= -0.434337 logG= -0.027207 TDE= -0.170275 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010310 tlogG= -0.047029 logG= -0.057339 Density= 0.429774 ETOT(band)= -0.466597 trlgG= -0.584655 logG= -0.057339 TDE= -0.341677 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010235 tlogG= -0.047669 logG= -0.057903 Density= 0.429902 ETOT(band)= -0.467246 trlgG= -0.586588 logG= -0.057903 TDE= -0.342122 logGD-logG0= -0.001203 tlogG= -0.005320 logG= -0.006523 Density= 0.081533 ETOT(band)= -0.085710 trlgG= -0.106291 logG= -0.006523 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001223 tlogG= -0.005481 logG= -0.006704 Density= 0.081177 ETOT(band)= -0.086378 trlgG= -0.107451 logG= -0.006704 TDE= -0.042579 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009961 tlogG= -0.044720 logG= -0.054681 Density= 0.324197 ETOT(band)= -0.346768 trlgG= -0.432281 logG= -0.054681 TDE= -0.340832 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.022377 logG= -0.027166 Density= 0.214976 ETOT(band)= -0.232012 trlgG= -0.289305 logG= -0.027166 TDE= -0.170281 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001690 tlogG= -0.007135 logG= -0.008825 Density= 0.072209 ETOT(band)= -0.076500 trlgG= -0.094913 logG= -0.008825 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004943 tlogG= -0.022342 logG= -0.027285 Density= 0.214213 ETOT(band)= -0.232498 trlgG= -0.289656 logG= -0.027285 TDE= -0.170195 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004940 tlogG= -0.021259 logG= -0.026199 Density= 0.216286 ETOT(band)= -0.230100 trlgG= -0.285751 logG= -0.026199 TDE= -0.169827 logGD-logG0= -0.009807 tlogG= -0.044724 logG= -0.054531 Density= 0.431493 ETOT(band)= -0.462205 trlgG= -0.575167 logG= -0.054531 TDE= -0.340471 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.905468840863 eV TrLogG= -407.537914395703 eV Ratio to renormalize= 1.000276689886 rho-rho_expected=-0.006085493695 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 61) Finished k-point number 124 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 69) Finished k-point number 140 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964713170749183 0.940522019224469 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004289 tlogG= -0.024051 logG= -0.028340 Density= 0.106118 ETOT(band)= -0.117194 trlgG= -0.146796 logG= -0.028340 TDE= -0.170969 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004315 tlogG= -0.023974 logG= -0.028290 Density= 0.106170 ETOT(band)= -0.117150 trlgG= -0.146683 logG= -0.028290 TDE= -0.170931 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.023499 logG= -0.028201 Density= 0.106777 ETOT(band)= -0.116838 trlgG= -0.145957 logG= -0.028201 TDE= -0.170595 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022989 logG= -0.027665 Density= 0.106876 ETOT(band)= -0.116516 trlgG= -0.145210 logG= -0.027665 TDE= -0.170433 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002386 tlogG= -0.010424 logG= -0.012810 Density= 0.054384 ETOT(band)= -0.057081 trlgG= -0.070693 logG= -0.012810 TDE= -0.084795 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004870 tlogG= -0.021561 logG= -0.026431 Density= 0.108526 ETOT(band)= -0.114898 trlgG= -0.142823 logG= -0.026431 TDE= -0.170096 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004789 tlogG= -0.020986 logG= -0.025775 Density= 0.108723 ETOT(band)= -0.114309 trlgG= -0.141665 logG= -0.025775 TDE= -0.169692 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021693 logG= -0.026669 Density= 0.107940 ETOT(band)= -0.115364 trlgG= -0.143258 logG= -0.026669 TDE= -0.170003 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002316 tlogG= -0.011447 logG= -0.013763 Density= 0.053740 ETOT(band)= -0.058082 trlgG= -0.072502 logG= -0.013763 TDE= -0.085332 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022167 logG= -0.027088 logGD-logG0= -0.004512 tlogG= -0.024045 logG= -0.028558 Density= 0.106391 ETOT(band)= -0.117181 trlgG= -0.146803 logG= -0.028558 TDE= -0.170893 Density= 0.108370 ETOT(band)= -0.115449 trlgG= -0.143954 logG= -0.027088 TDE= -0.170493 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.022732 logG= -0.027731 Density= 0.108260 ETOT(band)= -0.115892 trlgG= -0.144998 logG= -0.027731 TDE= -0.170840 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022873 logG= -0.027952 Density= 0.107624 ETOT(band)= -0.116319 trlgG= -0.145341 logG= -0.027952 TDE= -0.170646 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.024069 logG= -0.028917 Density= 0.107063 ETOT(band)= -0.117119 trlgG= -0.147167 logG= -0.028917 TDE= -0.171230 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023194 logG= -0.028464 Density= 0.107692 ETOT(band)= -0.116566 trlgG= -0.146150 logG= -0.028464 TDE= -0.170977 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.022851 logG= -0.027559 Density= 0.107303 ETOT(band)= -0.116261 trlgG= -0.145057 logG= -0.027559 TDE= -0.170597 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 Density= 0.053565 ETOT(band)= -0.058413 trlgG= -0.073267 logG= -0.014192 TDE= -0.085581 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038934 trlgG= -0.048610 logG= -0.009286 TDE= -0.056887 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053767 ETOT(band)= -0.058544 trlgG= -0.073686 logG= -0.014618 TDE= -0.085675 logGD-logG0= -0.004263 tlogG= -0.024131 logG= -0.028394 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212173 ETOT(band)= -0.234438 trlgG= -0.293717 logG= -0.028394 TDE= -0.171008 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 Density= 0.053588 ETOT(band)= -0.058557 trlgG= -0.073629 logG= -0.014486 TDE= -0.085661 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011983 logG= -0.014525 Density= 0.054144 ETOT(band)= -0.058305 trlgG= -0.073547 logG= -0.014525 TDE= -0.085815 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 Density= 0.035313 ETOT(band)= -0.039086 trlgG= -0.048975 logG= -0.009438 TDE= -0.057011 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004566 tlogG= -0.023890 logG= -0.028455 Density= 0.213289 ETOT(band)= -0.233919 trlgG= -0.292517 logG= -0.028455 TDE= -0.170812 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022981 logG= -0.028052 Density= 0.108146 ETOT(band)= -0.116128 trlgG= -0.145510 logG= -0.028052 TDE= -0.170974 logGD-logG0= -0.005004 tlogG= -0.022455 logG= -0.027458 logGD-logG0= -0.005104 tlogG= -0.023949 logG= -0.029053 logGD-logG0= -0.004451 tlogG= -0.023586 logG= -0.028037 Density= 0.212622 ETOT(band)= -0.234055 trlgG= -0.292767 logG= -0.028037 TDE= -0.170725 Density= 0.108214 ETOT(band)= -0.115756 trlgG= -0.144562 logG= -0.027458 TDE= -0.170653 Density= 0.108241 ETOT(band)= -0.116634 trlgG= -0.147099 logG= -0.029053 TDE= -0.171609 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023763 logG= -0.028880 Density= 0.108190 ETOT(band)= -0.116560 trlgG= -0.146820 logG= -0.028880 TDE= -0.171479 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027794 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106739 ETOT(band)= -0.116648 trlgG= -0.145474 logG= -0.027794 TDE= -0.170500 logGD-logG0= -0.002611 tlogG= -0.011987 logG= -0.014599 Density= 0.053989 ETOT(band)= -0.058427 trlgG= -0.073669 logG= -0.014599 TDE= -0.085786 logGD-logG0= -0.005113 tlogG= -0.023429 logG= -0.028542 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024087 logG= -0.029342 Density= 0.108142 ETOT(band)= -0.116398 trlgG= -0.146285 logG= -0.028542 TDE= -0.171257 Density= 0.107899 ETOT(band)= -0.116996 trlgG= -0.147580 logG= -0.029342 TDE= -0.171632 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.023870 logG= -0.028961 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.024092 logG= -0.029053 logGD-logG0= -0.005247 tlogG= -0.024070 logG= -0.029317 Density= 0.107653 ETOT(band)= -0.117089 trlgG= -0.147517 logG= -0.029317 TDE= -0.171472 Density= 0.107388 ETOT(band)= -0.117056 trlgG= -0.147139 logG= -0.029053 TDE= -0.171227 logGD-logG0= -0.004798 tlogG= -0.023687 logG= -0.028485 Density= 0.107386 ETOT(band)= -0.116745 trlgG= -0.146398 logG= -0.028485 TDE= -0.171053 logGD-logG0= -0.005094 tlogG= -0.023604 logG= -0.028698 Density= 0.108262 ETOT(band)= -0.116570 trlgG= -0.146950 logG= -0.028961 TDE= -0.171561 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108216 ETOT(band)= -0.116444 trlgG= -0.146529 logG= -0.028698 TDE= -0.171382 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023683 logG= -0.028937 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.023214 logG= -0.028278 Density= 0.108206 ETOT(band)= -0.116221 trlgG= -0.145866 logG= -0.028278 TDE= -0.171133 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022848 logG= -0.027679 Density= 0.107756 ETOT(band)= -0.116114 trlgG= -0.144928 logG= -0.027679 TDE= -0.170572 logGD-logG0= -0.004966 tlogG= -0.023642 logG= -0.028608 Density= 0.106984 ETOT(band)= -0.116955 trlgG= -0.146300 logG= -0.028608 TDE= -0.170633 logGD-logG0= -0.005288 tlogG= -0.024133 logG= -0.029421 Density= 0.107822 ETOT(band)= -0.117084 trlgG= -0.147705 logG= -0.029421 TDE= -0.171640 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023966 logG= -0.029163 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107239 ETOT(band)= -0.117025 trlgG= -0.146850 logG= -0.028937 TDE= -0.170979 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107453 ETOT(band)= -0.117076 trlgG= -0.147244 logG= -0.029163 TDE= -0.171254 logGD-logG0= -0.004980 tlogG= -0.022407 logG= -0.027386 Density= 0.107642 ETOT(band)= -0.115985 trlgG= -0.144444 logG= -0.027386 TDE= -0.170325 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023900 logG= -0.029180 logGD-logG0= -0.004676 tlogG= -0.023686 logG= -0.028362 Density= 0.107762 ETOT(band)= -0.116955 trlgG= -0.147301 logG= -0.029180 TDE= -0.171447 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 Density= 0.081568 ETOT(band)= -0.085702 trlgG= -0.106211 logG= -0.006502 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106981 ETOT(band)= -0.116867 trlgG= -0.146491 logG= -0.028362 TDE= -0.171069 logGD-logG0= -0.004872 tlogG= -0.023892 logG= -0.028764 Density= 0.106762 ETOT(band)= -0.117139 trlgG= -0.146914 logG= -0.028764 TDE= -0.170981 logGD-logG0= -0.004647 tlogG= -0.023668 logG= -0.028315 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106601 ETOT(band)= -0.116986 trlgG= -0.146388 logG= -0.028315 TDE= -0.170824 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.023870 logG= -0.029111 Density= 0.107927 ETOT(band)= -0.116822 trlgG= -0.147194 logG= -0.029111 TDE= -0.171491 logGD-logG0= -0.005279 tlogG= -0.023579 logG= -0.028858 Density= 0.107810 ETOT(band)= -0.116727 trlgG= -0.146779 logG= -0.028858 TDE= -0.171271 logGD-logG0= -0.005230 tlogG= -0.024058 logG= -0.029288 logGD-logG0= -0.009719 tlogG= -0.048243 logG= -0.057962 Density= 0.107958 ETOT(band)= -0.116928 trlgG= -0.147491 logG= -0.029288 TDE= -0.171626 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214417 ETOT(band)= -0.234195 trlgG= -0.294407 logG= -0.057962 TDE= -0.342549 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009685 tlogG= -0.045589 logG= -0.055274 logGD-logG0= -0.009405 tlogG= -0.045758 logG= -0.055164 Density= 0.214374 ETOT(band)= -0.232706 trlgG= -0.290194 logG= -0.055274 TDE= -0.341003 Density= 0.215033 ETOT(band)= -0.232353 trlgG= -0.290013 logG= -0.055164 TDE= -0.341258 logGD-logG0= -0.009043 tlogG= -0.047631 logG= -0.056674 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212931 ETOT(band)= -0.234096 trlgG= -0.292909 logG= -0.056674 TDE= -0.341604 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.047746 logG= -0.058187 Density= 0.214775 ETOT(band)= -0.234116 trlgG= -0.294242 logG= -0.058187 TDE= -0.342336 logGD-logG0= -0.009358 tlogG= -0.047446 logG= -0.056804 logGD-logG0= -0.009865 tlogG= -0.047900 logG= -0.057765 Density= 0.213982 ETOT(band)= -0.234235 trlgG= -0.294097 logG= -0.057765 TDE= -0.342222 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.048080 logG= -0.058476 Density= 0.215091 ETOT(band)= -0.234169 trlgG= -0.294751 logG= -0.058476 TDE= -0.342713 Density= 0.214325 ETOT(band)= -0.233620 trlgG= -0.292962 logG= -0.056804 TDE= -0.342217 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.047153 logG= -0.056900 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213788 ETOT(band)= -0.233836 trlgG= -0.292626 logG= -0.056900 TDE= -0.341519 logGD-logG0= -0.009585 tlogG= -0.047158 logG= -0.056744 Density= 0.213777 ETOT(band)= -0.233792 trlgG= -0.292835 logG= -0.056744 TDE= -0.341878 logGD-logG0= -0.009790 tlogG= -0.045647 logG= -0.055437 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.048028 logG= -0.058017 Density= 0.214548 ETOT(band)= -0.234141 trlgG= -0.294155 logG= -0.058017 TDE= -0.342308 Density= 0.215166 ETOT(band)= -0.232427 trlgG= -0.290004 logG= -0.055437 TDE= -0.341041 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010245 tlogG= -0.047978 logG= -0.058223 Density= 0.215093 ETOT(band)= -0.234024 trlgG= -0.294335 logG= -0.058223 TDE= -0.342551 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010458 tlogG= -0.047941 logG= -0.058399 logGD-logG0= -0.010306 tlogG= -0.047786 logG= -0.058091 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008603 Density= 0.036200 ETOT(band)= -0.038133 trlgG= -0.047247 logG= -0.008603 TDE= -0.056558 Density= 0.215921 ETOT(band)= -0.233728 trlgG= -0.294681 logG= -0.058399 TDE= -0.343131 Density= 0.214674 ETOT(band)= -0.234111 trlgG= -0.294073 logG= -0.058091 TDE= -0.342213 logGD-logG0= -0.010532 tlogG= -0.047528 logG= -0.058060 Density= 0.215723 ETOT(band)= -0.233612 trlgG= -0.294120 logG= -0.058060 TDE= -0.342810 logGD-logG0= -0.010543 tlogG= -0.046876 logG= -0.057419 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009474 tlogG= -0.047929 logG= -0.057403 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215450 ETOT(band)= -0.233378 trlgG= -0.293080 logG= -0.057419 TDE= -0.342276 Density= 0.213281 ETOT(band)= -0.234302 trlgG= -0.293552 logG= -0.057403 TDE= -0.341691 logGD-logG0= -0.010106 tlogG= -0.047659 logG= -0.057765 logGD-logG0= -0.010478 tlogG= -0.048014 logG= -0.058491 Density= 0.213963 ETOT(band)= -0.234222 trlgG= -0.293850 logG= -0.057765 TDE= -0.341964 logGD-logG0= -0.010334 tlogG= -0.047307 logG= -0.057641 Density= 0.215128 ETOT(band)= -0.234160 trlgG= -0.294778 logG= -0.058491 TDE= -0.342743 logGD-logG0= -0.010591 tlogG= -0.048144 logG= -0.058735 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 Density= 0.035846 ETOT(band)= -0.038584 trlgG= -0.047910 logG= -0.008983 TDE= -0.056666 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021877 logG= -0.026920 Density= 0.216650 ETOT(band)= -0.230330 trlgG= -0.286492 logG= -0.026920 TDE= -0.170254 Density= 0.215446 ETOT(band)= -0.234184 trlgG= -0.295215 logG= -0.058735 TDE= -0.343093 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214277 ETOT(band)= -0.234013 trlgG= -0.293325 logG= -0.057641 TDE= -0.341719 logGD-logG0= -0.010104 tlogG= -0.046410 logG= -0.056514 Density= 0.215234 ETOT(band)= -0.232989 trlgG= -0.291637 logG= -0.056514 TDE= -0.341632 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047419 logG= -0.057920 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215490 ETOT(band)= -0.233654 trlgG= -0.293880 logG= -0.057920 TDE= -0.342596 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010512 tlogG= -0.047890 logG= -0.058402 Density= 0.215792 ETOT(band)= -0.233801 trlgG= -0.294684 logG= -0.058402 TDE= -0.343067 logGD-logG0= -0.009713 tlogG= -0.047223 logG= -0.056936 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214492 ETOT(band)= -0.233580 trlgG= -0.292735 logG= -0.056936 TDE= -0.341940 logGD-logG0= -0.004954 tlogG= -0.021348 logG= -0.026301 Density= 0.217044 ETOT(band)= -0.229221 trlgG= -0.284286 logG= -0.026301 TDE= -0.169922 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 Density= 0.054068 ETOT(band)= -0.057600 trlgG= -0.071541 logG= -0.013286 TDE= -0.085011 logGD-logG0= -0.010015 tlogG= -0.047150 logG= -0.057165 logGD-logG0= -0.004910 tlogG= -0.022291 logG= -0.027201 Density= 0.215170 ETOT(band)= -0.233390 trlgG= -0.292655 logG= -0.057165 TDE= -0.341966 Density= 0.214271 ETOT(band)= -0.232496 trlgG= -0.289463 logG= -0.027201 TDE= -0.170196 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.021203 logG= -0.026115 Density= 0.216366 ETOT(band)= -0.230085 trlgG= -0.285546 logG= -0.026115 TDE= -0.169828 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004956 tlogG= -0.021872 logG= -0.026828 Density= 0.108335 ETOT(band)= -0.115265 trlgG= -0.143504 logG= -0.026828 TDE= -0.170285 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021816 logG= -0.026852 Density= 0.107797 ETOT(band)= -0.115557 trlgG= -0.143568 logG= -0.026852 TDE= -0.170060 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009946 tlogG= -0.043386 logG= -0.053332 Density= 0.216298 ETOT(band)= -0.230515 trlgG= -0.286490 logG= -0.053332 TDE= -0.340193 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080844 ETOT(band)= -0.086986 trlgG= -0.108613 logG= -0.006847 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022437 logG= -0.027519 Density= 0.216392 ETOT(band)= -0.231329 trlgG= -0.288612 logG= -0.027519 TDE= -0.170595 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023972 logG= -0.028512 Density= 0.212814 ETOT(band)= -0.234332 trlgG= -0.293513 logG= -0.028512 TDE= -0.170861 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.022966 logG= -0.028109 Density= 0.216248 ETOT(band)= -0.232127 trlgG= -0.290599 logG= -0.028109 TDE= -0.170930 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.024006 logG= -0.028708 Density= 0.214135 ETOT(band)= -0.234139 trlgG= -0.294150 logG= -0.028708 TDE= -0.171260 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023193 logG= -0.028326 Density= 0.214884 ETOT(band)= -0.233004 trlgG= -0.291237 logG= -0.028326 TDE= -0.170648 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023353 logG= -0.028751 Density= 0.215126 ETOT(band)= -0.233402 trlgG= -0.292730 logG= -0.028751 TDE= -0.170992 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022326 logG= -0.027082 Density= 0.215043 ETOT(band)= -0.232004 trlgG= -0.289106 logG= -0.027082 TDE= -0.170283 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080643 ETOT(band)= -0.087416 trlgG= -0.109617 logG= -0.006996 TDE= -0.042754 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080655 ETOT(band)= -0.087630 trlgG= -0.110172 logG= -0.007119 TDE= -0.042819 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080840 ETOT(band)= -0.087664 trlgG= -0.110369 logG= -0.007207 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.007965 logG= -0.009386 Density= 0.070867 ETOT(band)= -0.077970 trlgG= -0.097462 logG= -0.009386 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005983 logG= -0.007250 Density= 0.081070 ETOT(band)= -0.087566 trlgG= -0.110421 logG= -0.007250 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.024001 logG= -0.029187 Density= 0.215710 ETOT(band)= -0.233902 trlgG= -0.294839 logG= -0.029187 TDE= -0.171607 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023799 logG= -0.029019 Density= 0.215355 ETOT(band)= -0.233809 trlgG= -0.294184 logG= -0.029019 TDE= -0.171455 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023481 logG= -0.028695 Density= 0.215234 ETOT(band)= -0.233375 trlgG= -0.292922 logG= -0.028695 TDE= -0.171197 logGD-logG0= -0.005150 tlogG= -0.023999 logG= -0.029148 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216381 ETOT(band)= -0.233381 trlgG= -0.294358 logG= -0.029148 TDE= -0.171624 logGD-logG0= -0.004395 tlogG= -0.023740 logG= -0.028135 Density= 0.213092 ETOT(band)= -0.233646 trlgG= -0.291790 logG= -0.028135 TDE= -0.170809 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024005 logG= -0.028740 Density= 0.321589 ETOT(band)= -0.351186 trlgG= -0.441368 logG= -0.028740 TDE= -0.171255 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067561 trlgG= -0.084213 logG= -0.006348 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004646 tlogG= -0.023367 logG= -0.028012 logGD-logG0= -0.005006 tlogG= -0.024162 logG= -0.029168 Density= 0.322470 ETOT(band)= -0.351293 trlgG= -0.442043 logG= -0.029168 TDE= -0.171260 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321657 ETOT(band)= -0.350139 trlgG= -0.438791 logG= -0.028012 TDE= -0.170929 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 logGD-logG0= -0.005040 tlogG= -0.023956 logG= -0.028996 Density= 0.040853 ETOT(band)= -0.042681 trlgG= -0.052798 logG= -0.008442 TDE= -0.056472 Density= 0.214356 ETOT(band)= -0.234146 trlgG= -0.293932 logG= -0.028996 TDE= -0.171093 logGD-logG0= -0.005143 tlogG= -0.023956 logG= -0.029098 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216415 ETOT(band)= -0.233276 trlgG= -0.294126 logG= -0.029098 TDE= -0.171597 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023414 logG= -0.028584 Density= 0.216222 ETOT(band)= -0.232700 trlgG= -0.292215 logG= -0.028584 TDE= -0.171217 logGD-logG0= -0.005279 tlogG= -0.024122 logG= -0.029401 logGD-logG0= -0.004930 tlogG= -0.022904 logG= -0.027834 Density= 0.215743 ETOT(band)= -0.234057 trlgG= -0.295254 logG= -0.029401 TDE= -0.171640 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214811 ETOT(band)= -0.232452 trlgG= -0.289706 logG= -0.027834 TDE= -0.170460 logGD-logG0= -0.005163 tlogG= -0.023761 logG= -0.028924 logGD-logG0= -0.004880 tlogG= -0.023881 logG= -0.028761 Density= 0.216304 ETOT(band)= -0.233079 trlgG= -0.293422 logG= -0.028924 TDE= -0.171456 Density= 0.213799 ETOT(band)= -0.234064 trlgG= -0.293026 logG= -0.028761 TDE= -0.170823 logGD-logG0= -0.004980 tlogG= -0.024156 logG= -0.029137 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214759 ETOT(band)= -0.234217 trlgG= -0.294546 logG= -0.029137 TDE= -0.171265 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.047785 logG= -0.058113 logGD-logG0= -0.010102 tlogG= -0.045626 logG= -0.055728 Density= 0.324077 ETOT(band)= -0.348014 trlgG= -0.434984 logG= -0.055728 TDE= -0.341514 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324389 ETOT(band)= -0.349977 trlgG= -0.441037 logG= -0.058113 TDE= -0.343089 logGD-logG0= -0.005038 tlogG= -0.023844 logG= -0.028881 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215518 ETOT(band)= -0.233804 trlgG= -0.294289 logG= -0.028881 TDE= -0.171143 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.046412 logG= -0.056786 logGD-logG0= -0.010615 tlogG= -0.048039 logG= -0.058654 Density= 0.324031 ETOT(band)= -0.348956 trlgG= -0.437604 logG= -0.056786 TDE= -0.342139 Density= 0.323281 ETOT(band)= -0.351054 trlgG= -0.442388 logG= -0.058654 TDE= -0.343083 logGD-logG0= -0.009608 tlogG= -0.046603 logG= -0.056210 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322731 ETOT(band)= -0.349088 trlgG= -0.436426 logG= -0.056210 TDE= -0.341668 logGD-logG0= -0.004797 tlogG= -0.023836 logG= -0.028633 Density= 0.213584 ETOT(band)= -0.234204 trlgG= -0.293764 logG= -0.028633 TDE= -0.171078 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023898 logG= -0.029225 Density= 0.215669 ETOT(band)= -0.233804 trlgG= -0.294566 logG= -0.029225 TDE= -0.171463 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023244 logG= -0.027989 logGD-logG0= -0.005212 tlogG= -0.024083 logG= -0.029294 logGD-logG0= -0.010375 tlogG= -0.047233 logG= -0.057609 Density= 0.323095 ETOT(band)= -0.351263 trlgG= -0.442692 logG= -0.029294 TDE= -0.171454 Density= 0.324169 ETOT(band)= -0.349611 trlgG= -0.439689 logG= -0.057609 TDE= -0.342696 logGD-logG0= -0.005312 tlogG= -0.023957 logG= -0.029269 Density= 0.323697 ETOT(band)= -0.350725 trlgG= -0.442129 logG= -0.029269 TDE= -0.171512 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213507 ETOT(band)= -0.233672 trlgG= -0.292248 logG= -0.027989 TDE= -0.170774 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 logGD-logG0= -0.004614 tlogG= -0.023370 logG= -0.027984 Density= 0.071501 ETOT(band)= -0.077365 trlgG= -0.096161 logG= -0.009148 TDE= -0.056747 Density= 0.214196 ETOT(band)= -0.233427 trlgG= -0.292357 logG= -0.027984 TDE= -0.170938 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023684 logG= -0.029059 Density= 0.215429 ETOT(band)= -0.233657 trlgG= -0.293869 logG= -0.029059 TDE= -0.171286 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023243 logG= -0.028235 Density= 0.321726 ETOT(band)= -0.350643 trlgG= -0.439641 logG= -0.028235 TDE= -0.170883 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046712 logG= -0.056085 Density= 0.427912 ETOT(band)= -0.466241 trlgG= -0.581888 logG= -0.056085 TDE= -0.341278 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010068 tlogG= -0.048147 logG= -0.058215 Density= 0.429336 ETOT(band)= -0.468367 trlgG= -0.588653 logG= -0.058215 TDE= -0.342371 logGD-logG0= -0.008883 tlogG= -0.048095 logG= -0.056978 logGD-logG0= -0.004871 tlogG= -0.021298 logG= -0.026169 Density= 0.162668 ETOT(band)= -0.173018 trlgG= -0.215921 logG= -0.026169 TDE= -0.169909 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425544 ETOT(band)= -0.468463 trlgG= -0.586513 logG= -0.056978 TDE= -0.341838 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047838 logG= -0.057403 Density= 0.428064 ETOT(band)= -0.468263 trlgG= -0.587887 logG= -0.057403 TDE= -0.342325 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.047667 logG= -0.057846 Density= 0.428319 ETOT(band)= -0.468244 trlgG= -0.587217 logG= -0.057846 TDE= -0.341966 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047692 logG= -0.058373 Density= 0.431136 ETOT(band)= -0.467559 trlgG= -0.588731 logG= -0.058373 TDE= -0.342835 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047727 logG= -0.058307 logGD-logG0= -0.009741 tlogG= -0.047852 logG= -0.057593 Density= 0.430793 ETOT(band)= -0.467618 trlgG= -0.588374 logG= -0.058307 TDE= -0.342729 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429169 ETOT(band)= -0.468033 trlgG= -0.587854 logG= -0.057593 TDE= -0.342311 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047955 logG= -0.058192 logGD-logG0= -0.010412 tlogG= -0.048069 logG= -0.058481 Density= 0.430184 ETOT(band)= -0.468198 trlgG= -0.589091 logG= -0.058481 TDE= -0.342713 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429238 ETOT(band)= -0.468330 trlgG= -0.588300 logG= -0.058192 TDE= -0.342212 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046398 logG= -0.056255 Density= 0.429561 ETOT(band)= -0.465661 trlgG= -0.581554 logG= -0.056255 TDE= -0.341389 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009427 tlogG= -0.046606 logG= -0.056033 logGD-logG0= -0.010202 tlogG= -0.048220 logG= -0.058421 logGD-logG0= -0.010241 tlogG= -0.046928 logG= -0.057169 Density= 0.429914 ETOT(band)= -0.466573 trlgG= -0.584251 logG= -0.057169 TDE= -0.341679 Density= 0.428120 ETOT(band)= -0.466961 trlgG= -0.584493 logG= -0.056033 TDE= -0.341694 Density= 0.430077 ETOT(band)= -0.468368 trlgG= -0.589420 logG= -0.058421 TDE= -0.342587 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009529 tlogG= -0.047768 logG= -0.057296 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427196 ETOT(band)= -0.468030 trlgG= -0.585876 logG= -0.057296 TDE= -0.341558 logGD-logG0= -0.010605 tlogG= -0.048018 logG= -0.058623 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431379 ETOT(band)= -0.467841 trlgG= -0.589724 logG= -0.058623 TDE= -0.343100 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.047558 logG= -0.057479 Density= 0.428636 ETOT(band)= -0.467588 trlgG= -0.586255 logG= -0.057479 TDE= -0.342010 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047266 logG= -0.057906 Density= 0.430521 ETOT(band)= -0.467195 trlgG= -0.586902 logG= -0.057906 TDE= -0.342344 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009575 tlogG= -0.047648 logG= -0.057223 Density= 0.426690 ETOT(band)= -0.468483 trlgG= -0.587027 logG= -0.057223 TDE= -0.341857 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027123 Density= 0.322897 ETOT(band)= -0.348057 trlgG= -0.434036 logG= -0.027123 TDE= -0.170277 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010165 tlogG= -0.047568 logG= -0.057733 Density= 0.430046 ETOT(band)= -0.467219 trlgG= -0.586181 logG= -0.057733 TDE= -0.342125 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072237 ETOT(band)= -0.076494 trlgG= -0.094844 logG= -0.008797 TDE= -0.056632 logGD-logG0= -0.004878 tlogG= -0.022473 logG= -0.027351 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215037 ETOT(band)= -0.231715 trlgG= -0.288061 logG= -0.027351 TDE= -0.170209 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009893 tlogG= -0.044619 logG= -0.054512 Density= 0.324319 ETOT(band)= -0.346744 trlgG= -0.431971 logG= -0.054512 TDE= -0.340835 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006683 Density= 0.081208 ETOT(band)= -0.086372 trlgG= -0.107373 logG= -0.006683 TDE= -0.042579 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.044622 logG= -0.054363 Density= 0.431644 ETOT(band)= -0.462179 trlgG= -0.574761 logG= -0.054363 TDE= -0.340473 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.889510182002 eV TrLogG= -407.305255647528 eV Ratio to renormalize= 0.999949905711 rho-rho_expected= 0.001102129575 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964704498704866 0.940511318943957 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 Density= 0.035313 ETOT(band)= -0.039086 trlgG= -0.048974 logG= -0.009438 TDE= -0.057011 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.023974 logG= -0.028289 Density= 0.106170 ETOT(band)= -0.117149 trlgG= -0.146682 logG= -0.028289 TDE= -0.170931 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027794 Density= 0.106739 ETOT(band)= -0.116647 trlgG= -0.145473 logG= -0.027794 TDE= -0.170499 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022406 logG= -0.027386 Density= 0.107642 ETOT(band)= -0.115985 trlgG= -0.144443 logG= -0.027386 TDE= -0.170324 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.023499 logG= -0.028201 Density= 0.106777 ETOT(band)= -0.116838 trlgG= -0.145956 logG= -0.028201 TDE= -0.170594 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002386 tlogG= -0.010424 logG= -0.012810 Density= 0.054384 ETOT(band)= -0.057081 trlgG= -0.070692 logG= -0.012810 TDE= -0.084795 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001613 tlogG= -0.006990 logG= -0.008603 Density= 0.036200 ETOT(band)= -0.038133 trlgG= -0.047247 logG= -0.008603 TDE= -0.056557 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053767 ETOT(band)= -0.058544 trlgG= -0.073685 logG= -0.014618 TDE= -0.085674 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 Density= 0.053588 ETOT(band)= -0.058556 trlgG= -0.073629 logG= -0.014486 TDE= -0.085661 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.021561 logG= -0.026431 Density= 0.108526 ETOT(band)= -0.114897 trlgG= -0.142822 logG= -0.026431 TDE= -0.170096 logGD-logG0= -0.002316 tlogG= -0.011447 logG= -0.013763 Density= 0.053740 ETOT(band)= -0.058081 trlgG= -0.072501 logG= -0.013763 TDE= -0.085332 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038934 trlgG= -0.048609 logG= -0.009286 TDE= -0.056887 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011983 logG= -0.014525 Density= 0.054144 ETOT(band)= -0.058305 trlgG= -0.073547 logG= -0.014525 TDE= -0.085814 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023429 logG= -0.028541 logGD-logG0= -0.005117 tlogG= -0.023762 logG= -0.028879 Density= 0.108190 ETOT(band)= -0.116559 trlgG= -0.146820 logG= -0.028879 TDE= -0.171478 Density= 0.108142 ETOT(band)= -0.116398 trlgG= -0.146284 logG= -0.028541 TDE= -0.171257 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022455 logG= -0.027458 Density= 0.108214 ETOT(band)= -0.115755 trlgG= -0.144561 logG= -0.027458 TDE= -0.170653 Density= 0.053565 ETOT(band)= -0.058413 trlgG= -0.073267 logG= -0.014192 TDE= -0.085581 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024051 logG= -0.028340 Density= 0.106118 ETOT(band)= -0.117193 trlgG= -0.146796 logG= -0.028340 TDE= -0.170968 logGD-logG0= -0.005104 tlogG= -0.023949 logG= -0.029053 logGD-logG0= -0.002611 tlogG= -0.011987 logG= -0.014598 Density= 0.053988 ETOT(band)= -0.058426 trlgG= -0.073668 logG= -0.014598 TDE= -0.085786 Density= 0.108241 ETOT(band)= -0.116634 trlgG= -0.147098 logG= -0.029053 TDE= -0.171608 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022848 logG= -0.027679 Density= 0.107756 ETOT(band)= -0.116113 trlgG= -0.144927 logG= -0.027679 TDE= -0.170572 logGD-logG0= -0.004921 tlogG= -0.022167 logG= -0.027088 logGD-logG0= -0.004512 tlogG= -0.024045 logG= -0.028557 Density= 0.106390 ETOT(band)= -0.117180 trlgG= -0.146803 logG= -0.028557 TDE= -0.170893 logGD-logG0= -0.005247 tlogG= -0.024070 logG= -0.029317 Density= 0.108370 ETOT(band)= -0.115449 trlgG= -0.143953 logG= -0.027088 TDE= -0.170492 Density= 0.107653 ETOT(band)= -0.117089 trlgG= -0.147516 logG= -0.029317 TDE= -0.171471 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023687 logG= -0.028485 Density= 0.107386 ETOT(band)= -0.116745 trlgG= -0.146397 logG= -0.028485 TDE= -0.171052 logGD-logG0= -0.004961 tlogG= -0.024091 logG= -0.029053 Density= 0.107388 ETOT(band)= -0.117055 trlgG= -0.147138 logG= -0.029053 TDE= -0.171226 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022980 logG= -0.028052 Density= 0.108146 ETOT(band)= -0.116128 trlgG= -0.145509 logG= -0.028052 TDE= -0.170974 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023683 logG= -0.028937 Density= 0.107239 ETOT(band)= -0.117025 trlgG= -0.146849 logG= -0.028937 TDE= -0.170979 logGD-logG0= -0.005288 tlogG= -0.024133 logG= -0.029421 Density= 0.107822 ETOT(band)= -0.117084 trlgG= -0.147705 logG= -0.029421 TDE= -0.171639 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.023870 logG= -0.028961 Density= 0.108262 ETOT(band)= -0.116569 trlgG= -0.146949 logG= -0.028961 TDE= -0.171561 logGD-logG0= -0.005064 tlogG= -0.023214 logG= -0.028278 Density= 0.108206 ETOT(band)= -0.116221 trlgG= -0.145865 logG= -0.028278 TDE= -0.171133 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.023641 logG= -0.028608 logGD-logG0= -0.005094 tlogG= -0.023604 logG= -0.028698 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024086 logG= -0.029342 Density= 0.108215 ETOT(band)= -0.116444 trlgG= -0.146528 logG= -0.028698 TDE= -0.171381 Density= 0.106984 ETOT(band)= -0.116955 trlgG= -0.146299 logG= -0.028608 TDE= -0.170632 logGD-logG0= -0.005197 tlogG= -0.023966 logG= -0.029163 Density= 0.107453 ETOT(band)= -0.117076 trlgG= -0.147243 logG= -0.029163 TDE= -0.171253 logGD-logG0= -0.005079 tlogG= -0.022873 logG= -0.027952 Density= 0.107624 ETOT(band)= -0.116318 trlgG= -0.145340 logG= -0.027952 TDE= -0.170646 Density= 0.107899 ETOT(band)= -0.116996 trlgG= -0.147579 logG= -0.029342 TDE= -0.171631 logGD-logG0= -0.004999 tlogG= -0.022731 logG= -0.027730 Density= 0.108260 ETOT(band)= -0.115891 trlgG= -0.144997 logG= -0.027730 TDE= -0.170839 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022989 logG= -0.027664 Density= 0.106876 ETOT(band)= -0.116515 trlgG= -0.145209 logG= -0.027664 TDE= -0.170432 logGD-logG0= -0.004647 tlogG= -0.023668 logG= -0.028315 Density= 0.106601 ETOT(band)= -0.116985 trlgG= -0.146387 logG= -0.028315 TDE= -0.170823 logGD-logG0= -0.004676 tlogG= -0.023686 logG= -0.028362 Density= 0.106981 ETOT(band)= -0.116866 trlgG= -0.146490 logG= -0.028362 TDE= -0.171068 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.023891 logG= -0.028763 Density= 0.106761 ETOT(band)= -0.117139 trlgG= -0.146913 logG= -0.028763 TDE= -0.170981 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.024068 logG= -0.028917 logGD-logG0= -0.005280 tlogG= -0.023900 logG= -0.029180 Density= 0.107063 ETOT(band)= -0.117118 trlgG= -0.147166 logG= -0.028917 TDE= -0.171229 Density= 0.107762 ETOT(band)= -0.116955 trlgG= -0.147300 logG= -0.029180 TDE= -0.171446 logGD-logG0= -0.005271 tlogG= -0.023194 logG= -0.028464 Density= 0.107692 ETOT(band)= -0.116565 trlgG= -0.146149 logG= -0.028464 TDE= -0.170977 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.022851 logG= -0.027558 Density= 0.107303 ETOT(band)= -0.116260 trlgG= -0.145056 logG= -0.027558 TDE= -0.170596 logGD-logG0= -0.005230 tlogG= -0.024058 logG= -0.029288 logGD-logG0= -0.005241 tlogG= -0.023869 logG= -0.029110 Density= 0.107927 ETOT(band)= -0.116822 trlgG= -0.147193 logG= -0.029110 TDE= -0.171490 Density= 0.107958 ETOT(band)= -0.116928 trlgG= -0.147490 logG= -0.029288 TDE= -0.171625 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023578 logG= -0.028858 Density= 0.107810 ETOT(band)= -0.116726 trlgG= -0.146778 logG= -0.028858 TDE= -0.171271 logGD-logG0= -0.009405 tlogG= -0.045758 logG= -0.055163 logGD-logG0= -0.009719 tlogG= -0.048242 logG= -0.057962 Density= 0.215033 ETOT(band)= -0.232352 trlgG= -0.290011 logG= -0.055163 TDE= -0.341257 Density= 0.214417 ETOT(band)= -0.234194 trlgG= -0.294406 logG= -0.057962 TDE= -0.342548 logGD-logG0= -0.009586 tlogG= -0.047158 logG= -0.056744 Density= 0.213777 ETOT(band)= -0.233791 trlgG= -0.292833 logG= -0.056744 TDE= -0.341877 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009685 tlogG= -0.045588 logG= -0.055273 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214374 ETOT(band)= -0.232705 trlgG= -0.290192 logG= -0.055273 TDE= -0.341002 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009865 tlogG= -0.047899 logG= -0.057764 Density= 0.213982 ETOT(band)= -0.234234 trlgG= -0.294096 logG= -0.057764 TDE= -0.342220 logGD-logG0= -0.009474 tlogG= -0.047929 logG= -0.057403 logGD-logG0= -0.010441 tlogG= -0.047745 logG= -0.058186 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213281 ETOT(band)= -0.234301 trlgG= -0.293551 logG= -0.057403 TDE= -0.341690 logGD-logG0= -0.009747 tlogG= -0.047153 logG= -0.056900 Density= 0.214775 ETOT(band)= -0.234115 trlgG= -0.294240 logG= -0.058186 TDE= -0.342335 Density= 0.213788 ETOT(band)= -0.233835 trlgG= -0.292624 logG= -0.056900 TDE= -0.341518 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.048080 logG= -0.058476 logGD-logG0= -0.009358 tlogG= -0.047446 logG= -0.056804 Density= 0.214325 ETOT(band)= -0.233619 trlgG= -0.292961 logG= -0.056804 TDE= -0.342215 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215091 ETOT(band)= -0.234168 trlgG= -0.294750 logG= -0.058476 TDE= -0.342711 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010478 tlogG= -0.048013 logG= -0.058491 Density= 0.215128 ETOT(band)= -0.234159 trlgG= -0.294777 logG= -0.058491 TDE= -0.342742 logGD-logG0= -0.009790 tlogG= -0.045647 logG= -0.055437 Density= 0.215166 ETOT(band)= -0.232426 trlgG= -0.290002 logG= -0.055437 TDE= -0.341040 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010306 tlogG= -0.047785 logG= -0.058091 Density= 0.214673 ETOT(band)= -0.234110 trlgG= -0.294071 logG= -0.058091 TDE= -0.342211 logGD-logG0= -0.010106 tlogG= -0.047658 logG= -0.057765 Density= 0.213962 ETOT(band)= -0.234221 trlgG= -0.293848 logG= -0.057765 TDE= -0.341962 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.048027 logG= -0.058016 Density= 0.214548 ETOT(band)= -0.234140 trlgG= -0.294154 logG= -0.058016 TDE= -0.342306 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035846 ETOT(band)= -0.038583 trlgG= -0.047910 logG= -0.008983 TDE= -0.056665 logGD-logG0= -0.010245 tlogG= -0.047978 logG= -0.058223 logGD-logG0= -0.010458 tlogG= -0.047940 logG= -0.058398 Density= 0.215920 ETOT(band)= -0.233727 trlgG= -0.294680 logG= -0.058398 TDE= -0.343130 Density= 0.215093 ETOT(band)= -0.234023 trlgG= -0.294333 logG= -0.058223 TDE= -0.342549 logGD-logG0= -0.010543 tlogG= -0.046876 logG= -0.057419 Density= 0.215450 ETOT(band)= -0.233376 trlgG= -0.293078 logG= -0.057419 TDE= -0.342274 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010334 tlogG= -0.047306 logG= -0.057640 Density= 0.214276 ETOT(band)= -0.234012 trlgG= -0.293323 logG= -0.057640 TDE= -0.341717 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010533 tlogG= -0.047527 logG= -0.058060 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215723 ETOT(band)= -0.233611 trlgG= -0.294118 logG= -0.058060 TDE= -0.342809 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.046409 logG= -0.056513 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215234 ETOT(band)= -0.232988 trlgG= -0.291635 logG= -0.056513 TDE= -0.341631 logGD-logG0= -0.010513 tlogG= -0.047889 logG= -0.058402 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215791 ETOT(band)= -0.233800 trlgG= -0.294682 logG= -0.058402 TDE= -0.343065 Density= 0.054068 ETOT(band)= -0.057600 trlgG= -0.071541 logG= -0.013286 TDE= -0.085010 logGD-logG0= -0.010591 tlogG= -0.048143 logG= -0.058734 Density= 0.215446 ETOT(band)= -0.234183 trlgG= -0.295213 logG= -0.058734 TDE= -0.343092 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009713 tlogG= -0.047223 logG= -0.056936 Density= 0.214492 ETOT(band)= -0.233579 trlgG= -0.292733 logG= -0.056936 TDE= -0.341938 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009044 tlogG= -0.047630 logG= -0.056674 logGD-logG0= -0.010501 tlogG= -0.047418 logG= -0.057919 Density= 0.212930 ETOT(band)= -0.234095 trlgG= -0.292908 logG= -0.056674 TDE= -0.341602 Density= 0.215489 ETOT(band)= -0.233653 trlgG= -0.293879 logG= -0.057919 TDE= -0.342594 logGD-logG0= -0.010015 tlogG= -0.047150 logG= -0.057165 Density= 0.215170 ETOT(band)= -0.233389 trlgG= -0.292653 logG= -0.057165 TDE= -0.341965 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.021872 logG= -0.026828 Density= 0.108335 ETOT(band)= -0.115265 trlgG= -0.143503 logG= -0.026828 TDE= -0.170285 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004789 tlogG= -0.020986 logG= -0.025774 Density= 0.108723 ETOT(band)= -0.114309 trlgG= -0.141664 logG= -0.025774 TDE= -0.169691 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021816 logG= -0.026851 Density= 0.107796 ETOT(band)= -0.115556 trlgG= -0.143567 logG= -0.026851 TDE= -0.170059 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009946 tlogG= -0.043386 logG= -0.053331 Density= 0.216297 ETOT(band)= -0.230514 trlgG= -0.286488 logG= -0.053331 TDE= -0.340191 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021693 logG= -0.026668 Density= 0.107940 ETOT(band)= -0.115363 trlgG= -0.143257 logG= -0.026668 TDE= -0.170003 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004395 tlogG= -0.023740 logG= -0.028135 logGD-logG0= -0.004451 tlogG= -0.023586 logG= -0.028037 Density= 0.213092 ETOT(band)= -0.233645 trlgG= -0.291788 logG= -0.028135 TDE= -0.170809 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212622 ETOT(band)= -0.234054 trlgG= -0.292765 logG= -0.028037 TDE= -0.170724 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022904 logG= -0.027834 Density= 0.214811 ETOT(band)= -0.232451 trlgG= -0.289704 logG= -0.027834 TDE= -0.170460 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001178 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067560 trlgG= -0.084213 logG= -0.006348 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004566 tlogG= -0.023889 logG= -0.028455 Density= 0.213289 ETOT(band)= -0.233918 trlgG= -0.292516 logG= -0.028455 TDE= -0.170812 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 Density= 0.081568 ETOT(band)= -0.085702 trlgG= -0.106210 logG= -0.006502 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072237 ETOT(band)= -0.076494 trlgG= -0.094843 logG= -0.008797 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080840 ETOT(band)= -0.087664 trlgG= -0.110368 logG= -0.007207 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021877 logG= -0.026920 Density= 0.216650 ETOT(band)= -0.230329 trlgG= -0.286491 logG= -0.026920 TDE= -0.170254 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007118 Density= 0.080655 ETOT(band)= -0.087630 trlgG= -0.110171 logG= -0.007118 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005983 logG= -0.007250 Density= 0.081070 ETOT(band)= -0.087566 trlgG= -0.110420 logG= -0.007250 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.024000 logG= -0.029186 Density= 0.215709 ETOT(band)= -0.233901 trlgG= -0.294837 logG= -0.029186 TDE= -0.171606 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080642 ETOT(band)= -0.087415 trlgG= -0.109617 logG= -0.006996 TDE= -0.042753 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080844 ETOT(band)= -0.086986 trlgG= -0.108613 logG= -0.006847 TDE= -0.042677 logGD-logG0= -0.001420 tlogG= -0.007965 logG= -0.009386 Density= 0.070867 ETOT(band)= -0.077970 trlgG= -0.097462 logG= -0.009386 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023798 logG= -0.029018 Density= 0.215355 ETOT(band)= -0.233808 trlgG= -0.294183 logG= -0.029018 TDE= -0.171454 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023480 logG= -0.028695 Density= 0.215234 ETOT(band)= -0.233374 trlgG= -0.292920 logG= -0.028695 TDE= -0.171197 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023998 logG= -0.029148 Density= 0.216381 ETOT(band)= -0.233380 trlgG= -0.294357 logG= -0.029148 TDE= -0.171624 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.024121 logG= -0.029401 Density= 0.215742 ETOT(band)= -0.234056 trlgG= -0.295253 logG= -0.029401 TDE= -0.171639 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.023844 logG= -0.028881 Density= 0.215518 ETOT(band)= -0.233803 trlgG= -0.294287 logG= -0.028881 TDE= -0.171142 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023956 logG= -0.028996 Density= 0.214355 ETOT(band)= -0.234145 trlgG= -0.293930 logG= -0.028996 TDE= -0.171092 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.047784 logG= -0.058113 logGD-logG0= -0.004735 tlogG= -0.024005 logG= -0.028740 Density= 0.321589 ETOT(band)= -0.351184 trlgG= -0.441365 logG= -0.028740 TDE= -0.171254 Density= 0.324388 ETOT(band)= -0.349975 trlgG= -0.441034 logG= -0.058113 TDE= -0.343087 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004263 tlogG= -0.024131 logG= -0.028394 logGD-logG0= -0.005081 tlogG= -0.022437 logG= -0.027518 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212173 ETOT(band)= -0.234437 trlgG= -0.293715 logG= -0.028394 TDE= -0.171007 Density= 0.216392 ETOT(band)= -0.231328 trlgG= -0.288611 logG= -0.027518 TDE= -0.170594 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023972 logG= -0.028512 logGD-logG0= -0.005143 tlogG= -0.023955 logG= -0.029098 logGD-logG0= -0.005006 tlogG= -0.024161 logG= -0.029167 logGD-logG0= -0.010102 tlogG= -0.045625 logG= -0.055728 Density= 0.324076 ETOT(band)= -0.348012 trlgG= -0.434982 logG= -0.055728 TDE= -0.341512 Density= 0.216415 ETOT(band)= -0.233275 trlgG= -0.294124 logG= -0.029098 TDE= -0.171597 Density= 0.212814 ETOT(band)= -0.234330 trlgG= -0.293511 logG= -0.028512 TDE= -0.170860 Density= 0.322469 ETOT(band)= -0.351292 trlgG= -0.442040 logG= -0.029167 TDE= -0.171260 logGD-logG0= -0.005170 tlogG= -0.023413 logG= -0.028583 Density= 0.216222 ETOT(band)= -0.232699 trlgG= -0.292213 logG= -0.028583 TDE= -0.171217 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 Density= 0.040853 ETOT(band)= -0.042680 trlgG= -0.052797 logG= -0.008442 TDE= -0.056471 logGD-logG0= -0.010376 tlogG= -0.047233 logG= -0.057608 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009608 tlogG= -0.046602 logG= -0.056210 Density= 0.324168 ETOT(band)= -0.349609 trlgG= -0.439687 logG= -0.057608 TDE= -0.342695 Density= 0.322731 ETOT(band)= -0.349086 trlgG= -0.436423 logG= -0.056210 TDE= -0.341666 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.022966 logG= -0.028109 Density= 0.216248 ETOT(band)= -0.232126 trlgG= -0.290597 logG= -0.028109 TDE= -0.170929 logGD-logG0= -0.004980 tlogG= -0.024156 logG= -0.029136 logGD-logG0= -0.004646 tlogG= -0.023366 logG= -0.028012 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214759 ETOT(band)= -0.234215 trlgG= -0.294544 logG= -0.029136 TDE= -0.171265 Density= 0.321657 ETOT(band)= -0.350137 trlgG= -0.438788 logG= -0.028012 TDE= -0.170929 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.023881 logG= -0.028761 Density= 0.213799 ETOT(band)= -0.234063 trlgG= -0.293025 logG= -0.028761 TDE= -0.170822 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023761 logG= -0.028923 logGD-logG0= -0.005328 tlogG= -0.023897 logG= -0.029225 Density= 0.215668 ETOT(band)= -0.233803 trlgG= -0.294565 logG= -0.029225 TDE= -0.171463 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216303 ETOT(band)= -0.233078 trlgG= -0.293420 logG= -0.028923 TDE= -0.171456 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023243 logG= -0.028235 Density= 0.321726 ETOT(band)= -0.350642 trlgG= -0.439639 logG= -0.028235 TDE= -0.170883 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023244 logG= -0.027988 Density= 0.213507 ETOT(band)= -0.233671 trlgG= -0.292246 logG= -0.027988 TDE= -0.170773 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.024006 logG= -0.028708 logGD-logG0= -0.004797 tlogG= -0.023836 logG= -0.028633 Density= 0.213583 ETOT(band)= -0.234203 trlgG= -0.293762 logG= -0.028633 TDE= -0.171078 Density= 0.214134 ETOT(band)= -0.234138 trlgG= -0.294149 logG= -0.028708 TDE= -0.171259 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023957 logG= -0.029269 logGD-logG0= -0.010615 tlogG= -0.048038 logG= -0.058653 Density= 0.323696 ETOT(band)= -0.350723 trlgG= -0.442127 logG= -0.029269 TDE= -0.171511 Density= 0.323281 ETOT(band)= -0.351052 trlgG= -0.442385 logG= -0.058653 TDE= -0.343081 logGD-logG0= -0.005132 tlogG= -0.023193 logG= -0.028325 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023370 logG= -0.027984 Density= 0.214196 ETOT(band)= -0.233426 trlgG= -0.292355 logG= -0.027984 TDE= -0.170937 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214884 ETOT(band)= -0.233003 trlgG= -0.291235 logG= -0.028325 TDE= -0.170647 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.046411 logG= -0.056785 logGD-logG0= -0.005212 tlogG= -0.024082 logG= -0.029294 Density= 0.324030 ETOT(band)= -0.348955 trlgG= -0.437602 logG= -0.056785 TDE= -0.342137 Density= 0.323094 ETOT(band)= -0.351261 trlgG= -0.442690 logG= -0.029294 TDE= -0.171453 logGD-logG0= -0.005376 tlogG= -0.023683 logG= -0.029059 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215429 ETOT(band)= -0.233656 trlgG= -0.293868 logG= -0.029059 TDE= -0.171285 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.021298 logG= -0.026169 logGD-logG0= -0.005399 tlogG= -0.023352 logG= -0.028751 logGD-logG0= -0.009373 tlogG= -0.046711 logG= -0.056084 Density= 0.427911 ETOT(band)= -0.466239 trlgG= -0.581884 logG= -0.056084 TDE= -0.341277 Density= 0.215125 ETOT(band)= -0.233401 trlgG= -0.292729 logG= -0.028751 TDE= -0.170992 Density= 0.162667 ETOT(band)= -0.173017 trlgG= -0.215920 logG= -0.026169 TDE= -0.169908 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009565 tlogG= -0.047838 logG= -0.057403 Density= 0.428063 ETOT(band)= -0.468261 trlgG= -0.587884 logG= -0.057403 TDE= -0.342323 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 Density= 0.071501 ETOT(band)= -0.077365 trlgG= -0.096161 logG= -0.009148 TDE= -0.056747 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010068 tlogG= -0.048147 logG= -0.058215 Density= 0.429335 ETOT(band)= -0.468365 trlgG= -0.588649 logG= -0.058215 TDE= -0.342370 logGD-logG0= -0.009427 tlogG= -0.046605 logG= -0.056032 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428119 ETOT(band)= -0.466959 trlgG= -0.584490 logG= -0.056032 TDE= -0.341692 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.048219 logG= -0.058421 Density= 0.430076 ETOT(band)= -0.468366 trlgG= -0.589416 logG= -0.058421 TDE= -0.342586 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047955 logG= -0.058192 logGD-logG0= -0.010179 tlogG= -0.047666 logG= -0.057846 Density= 0.429238 ETOT(band)= -0.468327 trlgG= -0.588296 logG= -0.058192 TDE= -0.342210 Density= 0.428319 ETOT(band)= -0.468242 trlgG= -0.587214 logG= -0.057846 TDE= -0.341964 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009575 tlogG= -0.047648 logG= -0.057223 Density= 0.426689 ETOT(band)= -0.468481 trlgG= -0.587024 logG= -0.057223 TDE= -0.341855 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009741 tlogG= -0.047851 logG= -0.057592 Density= 0.429168 ETOT(band)= -0.468031 trlgG= -0.587850 logG= -0.057592 TDE= -0.342310 logGD-logG0= -0.009529 tlogG= -0.047767 logG= -0.057296 Density= 0.427195 ETOT(band)= -0.468028 trlgG= -0.585873 logG= -0.057296 TDE= -0.341557 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046398 logG= -0.056255 Density= 0.429560 ETOT(band)= -0.465659 trlgG= -0.581551 logG= -0.056255 TDE= -0.341387 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047691 logG= -0.058373 Density= 0.431136 ETOT(band)= -0.467557 trlgG= -0.588728 logG= -0.058373 TDE= -0.342834 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010605 tlogG= -0.048017 logG= -0.058622 Density= 0.431378 ETOT(band)= -0.467839 trlgG= -0.589721 logG= -0.058622 TDE= -0.343099 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010412 tlogG= -0.048068 logG= -0.058481 Density= 0.430183 ETOT(band)= -0.468196 trlgG= -0.589088 logG= -0.058481 TDE= -0.342711 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046928 logG= -0.057169 Density= 0.429913 ETOT(band)= -0.466571 trlgG= -0.584248 logG= -0.057169 TDE= -0.341678 logGD-logG0= -0.010581 tlogG= -0.047726 logG= -0.058307 Density= 0.430793 ETOT(band)= -0.467616 trlgG= -0.588370 logG= -0.058307 TDE= -0.342727 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.047557 logG= -0.057479 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006683 Density= 0.081208 ETOT(band)= -0.086371 trlgG= -0.107372 logG= -0.006683 TDE= -0.042579 Density= 0.428635 ETOT(band)= -0.467586 trlgG= -0.586252 logG= -0.057479 TDE= -0.342009 logGD-logG0= -0.010640 tlogG= -0.047265 logG= -0.057905 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430520 ETOT(band)= -0.467193 trlgG= -0.586899 logG= -0.057905 TDE= -0.342343 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.047567 logG= -0.057732 Density= 0.430046 ETOT(band)= -0.467217 trlgG= -0.586178 logG= -0.057732 TDE= -0.342124 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027123 Density= 0.322897 ETOT(band)= -0.348055 trlgG= -0.434034 logG= -0.027123 TDE= -0.170276 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009893 tlogG= -0.044618 logG= -0.054511 Density= 0.324318 ETOT(band)= -0.346742 trlgG= -0.431969 logG= -0.054511 TDE= -0.340833 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008883 tlogG= -0.048095 logG= -0.056978 Density= 0.425543 ETOT(band)= -0.468461 trlgG= -0.586510 logG= -0.056978 TDE= -0.341837 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022325 logG= -0.027082 Density= 0.215043 ETOT(band)= -0.232003 trlgG= -0.289105 logG= -0.027082 TDE= -0.170282 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.022291 logG= -0.027201 Density= 0.214271 ETOT(band)= -0.232495 trlgG= -0.289461 logG= -0.027201 TDE= -0.170195 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.022473 logG= -0.027351 Density= 0.215036 ETOT(band)= -0.231714 trlgG= -0.288059 logG= -0.027351 TDE= -0.170209 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021348 logG= -0.026301 Density= 0.217044 ETOT(band)= -0.229220 trlgG= -0.284284 logG= -0.026301 TDE= -0.169921 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.044622 logG= -0.054362 Density= 0.431644 ETOT(band)= -0.462177 trlgG= -0.574758 logG= -0.054362 TDE= -0.340472 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021203 logG= -0.026115 Density= 0.216366 ETOT(band)= -0.230084 trlgG= -0.285545 logG= -0.026115 TDE= -0.169828 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.888020404630 eV TrLogG= -407.302738678326 eV Ratio to renormalize= 0.999951383265 rho-rho_expected= 0.001069620164 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964714241018078 0.940522298774694 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 Density= 0.053588 ETOT(band)= -0.058557 trlgG= -0.073629 logG= -0.014486 TDE= -0.085661 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011983 logG= -0.014525 Density= 0.054144 ETOT(band)= -0.058305 trlgG= -0.073547 logG= -0.014525 TDE= -0.085814 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.023870 logG= -0.028961 Density= 0.108262 ETOT(band)= -0.116570 trlgG= -0.146949 logG= -0.028961 TDE= -0.171561 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.023604 logG= -0.028698 Density= 0.108215 ETOT(band)= -0.116444 trlgG= -0.146529 logG= -0.028698 TDE= -0.171381 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 Density= 0.053565 ETOT(band)= -0.058413 trlgG= -0.073267 logG= -0.014192 TDE= -0.085581 Density= 0.035313 ETOT(band)= -0.039086 trlgG= -0.048975 logG= -0.009438 TDE= -0.057011 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 logGD-logG0= -0.009044 tlogG= -0.047630 logG= -0.056674 Density= 0.212930 ETOT(band)= -0.234095 trlgG= -0.292908 logG= -0.056674 TDE= -0.341603 logGD-logG0= -0.009685 tlogG= -0.045588 logG= -0.055274 Density= 0.214374 ETOT(band)= -0.232705 trlgG= -0.290193 logG= -0.055274 TDE= -0.341002 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053767 ETOT(band)= -0.058544 trlgG= -0.073685 logG= -0.014618 TDE= -0.085674 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027794 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.047153 logG= -0.056900 Density= 0.213788 ETOT(band)= -0.233835 trlgG= -0.292625 logG= -0.056900 TDE= -0.341518 Density= 0.106739 ETOT(band)= -0.116647 trlgG= -0.145473 logG= -0.027794 TDE= -0.170499 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022989 logG= -0.027664 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038934 trlgG= -0.048609 logG= -0.009286 TDE= -0.056887 Density= 0.106876 ETOT(band)= -0.116516 trlgG= -0.145210 logG= -0.027664 TDE= -0.170433 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002316 tlogG= -0.011447 logG= -0.013763 Density= 0.053740 ETOT(band)= -0.058082 trlgG= -0.072502 logG= -0.013763 TDE= -0.085332 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022406 logG= -0.027386 Density= 0.107642 ETOT(band)= -0.115985 trlgG= -0.144444 logG= -0.027386 TDE= -0.170324 logGD-logG0= -0.005117 tlogG= -0.023762 logG= -0.028880 logGD-logG0= -0.002611 tlogG= -0.011987 logG= -0.014598 Density= 0.108190 ETOT(band)= -0.116560 trlgG= -0.146820 logG= -0.028880 TDE= -0.171478 Density= 0.053988 ETOT(band)= -0.058426 trlgG= -0.073669 logG= -0.014598 TDE= -0.085786 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022455 logG= -0.027458 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023429 logG= -0.028541 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108142 ETOT(band)= -0.116398 trlgG= -0.146284 logG= -0.028541 TDE= -0.171257 Density= 0.108214 ETOT(band)= -0.115755 trlgG= -0.144562 logG= -0.027458 TDE= -0.170653 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.024070 logG= -0.029317 logGD-logG0= -0.004966 tlogG= -0.023642 logG= -0.028608 Density= 0.107653 ETOT(band)= -0.117089 trlgG= -0.147517 logG= -0.029317 TDE= -0.171471 Density= 0.106984 ETOT(band)= -0.116955 trlgG= -0.146300 logG= -0.028608 TDE= -0.170633 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.023949 logG= -0.029053 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023683 logG= -0.028937 Density= 0.107239 ETOT(band)= -0.117025 trlgG= -0.146849 logG= -0.028937 TDE= -0.170979 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108241 ETOT(band)= -0.116634 trlgG= -0.147098 logG= -0.029053 TDE= -0.171608 logGD-logG0= -0.004999 tlogG= -0.022732 logG= -0.027731 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022981 logG= -0.028052 Density= 0.108146 ETOT(band)= -0.116128 trlgG= -0.145510 logG= -0.028052 TDE= -0.170974 Density= 0.108260 ETOT(band)= -0.115892 trlgG= -0.144998 logG= -0.027731 TDE= -0.170840 logGD-logG0= -0.004316 tlogG= -0.023974 logG= -0.028290 logGD-logG0= -0.004798 tlogG= -0.023687 logG= -0.028485 logGD-logG0= -0.005079 tlogG= -0.022873 logG= -0.027952 Density= 0.107386 ETOT(band)= -0.116745 trlgG= -0.146397 logG= -0.028485 TDE= -0.171052 logGD-logG0= -0.004289 tlogG= -0.024051 logG= -0.028340 Density= 0.106118 ETOT(band)= -0.117194 trlgG= -0.146796 logG= -0.028340 TDE= -0.170968 Density= 0.107624 ETOT(band)= -0.116318 trlgG= -0.145340 logG= -0.027952 TDE= -0.170646 logGD-logG0= -0.004647 tlogG= -0.023668 logG= -0.028315 Density= 0.106601 ETOT(band)= -0.116985 trlgG= -0.146387 logG= -0.028315 TDE= -0.170823 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.023891 logG= -0.028764 Density= 0.106762 ETOT(band)= -0.117139 trlgG= -0.146913 logG= -0.028764 TDE= -0.170981 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024045 logG= -0.028558 Density= 0.106391 ETOT(band)= -0.117180 trlgG= -0.146803 logG= -0.028558 TDE= -0.170893 logGD-logG0= -0.004921 tlogG= -0.022167 logG= -0.027088 Density= 0.108370 ETOT(band)= -0.115449 trlgG= -0.143953 logG= -0.027088 TDE= -0.170492 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106170 ETOT(band)= -0.117150 trlgG= -0.146682 logG= -0.028290 TDE= -0.170931 logGD-logG0= -0.004849 tlogG= -0.024068 logG= -0.028917 logGD-logG0= -0.005197 tlogG= -0.023966 logG= -0.029163 Density= 0.107063 ETOT(band)= -0.117119 trlgG= -0.147167 logG= -0.028917 TDE= -0.171230 Density= 0.107453 ETOT(band)= -0.117076 trlgG= -0.147244 logG= -0.029163 TDE= -0.171254 logGD-logG0= -0.005280 tlogG= -0.023900 logG= -0.029180 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022848 logG= -0.027679 Density= 0.107756 ETOT(band)= -0.116113 trlgG= -0.144928 logG= -0.027679 TDE= -0.170572 Density= 0.107762 ETOT(band)= -0.116955 trlgG= -0.147301 logG= -0.029180 TDE= -0.171446 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.023214 logG= -0.028278 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108206 ETOT(band)= -0.116221 trlgG= -0.145865 logG= -0.028278 TDE= -0.171133 logGD-logG0= -0.005288 tlogG= -0.024133 logG= -0.029421 Density= 0.107822 ETOT(band)= -0.117084 trlgG= -0.147705 logG= -0.029421 TDE= -0.171640 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001613 tlogG= -0.006990 logG= -0.008603 Density= 0.036200 ETOT(band)= -0.038133 trlgG= -0.047247 logG= -0.008603 TDE= -0.056557 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024087 logG= -0.029342 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107899 ETOT(band)= -0.116996 trlgG= -0.147579 logG= -0.029342 TDE= -0.171631 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023686 logG= -0.028362 Density= 0.106981 ETOT(band)= -0.116866 trlgG= -0.146490 logG= -0.028362 TDE= -0.171068 logGD-logG0= -0.004702 tlogG= -0.023499 logG= -0.028201 Density= 0.106777 ETOT(band)= -0.116838 trlgG= -0.145957 logG= -0.028201 TDE= -0.170594 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.024092 logG= -0.029053 Density= 0.107388 ETOT(band)= -0.117055 trlgG= -0.147139 logG= -0.029053 TDE= -0.171226 logGD-logG0= -0.004708 tlogG= -0.022851 logG= -0.027559 Density= 0.107303 ETOT(band)= -0.116260 trlgG= -0.145056 logG= -0.027559 TDE= -0.170597 logGD-logG0= -0.005241 tlogG= -0.023869 logG= -0.029111 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107927 ETOT(band)= -0.116822 trlgG= -0.147193 logG= -0.029111 TDE= -0.171490 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023194 logG= -0.028464 Density= 0.107692 ETOT(band)= -0.116566 trlgG= -0.146150 logG= -0.028464 TDE= -0.170977 logGD-logG0= -0.009719 tlogG= -0.048243 logG= -0.057962 Density= 0.214417 ETOT(band)= -0.234194 trlgG= -0.294406 logG= -0.057962 TDE= -0.342549 logGD-logG0= -0.005279 tlogG= -0.023579 logG= -0.028858 Density= 0.107810 ETOT(band)= -0.116726 trlgG= -0.146779 logG= -0.028858 TDE= -0.171271 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.047158 logG= -0.056744 Density= 0.213777 ETOT(band)= -0.233792 trlgG= -0.292834 logG= -0.056744 TDE= -0.341877 logGD-logG0= -0.009405 tlogG= -0.045758 logG= -0.055164 Density= 0.215033 ETOT(band)= -0.232352 trlgG= -0.290012 logG= -0.055164 TDE= -0.341258 logGD-logG0= -0.005230 tlogG= -0.024058 logG= -0.029288 Density= 0.107958 ETOT(band)= -0.116928 trlgG= -0.147490 logG= -0.029288 TDE= -0.171625 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009474 tlogG= -0.047929 logG= -0.057403 Density= 0.213281 ETOT(band)= -0.234302 trlgG= -0.293551 logG= -0.057403 TDE= -0.341691 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009865 tlogG= -0.047899 logG= -0.057765 Density= 0.213982 ETOT(band)= -0.234235 trlgG= -0.294097 logG= -0.057765 TDE= -0.342221 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.048080 logG= -0.058476 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215091 ETOT(band)= -0.234168 trlgG= -0.294750 logG= -0.058476 TDE= -0.342712 logGD-logG0= -0.010441 tlogG= -0.047745 logG= -0.058187 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009946 tlogG= -0.043386 logG= -0.053332 Density= 0.214775 ETOT(band)= -0.234116 trlgG= -0.294241 logG= -0.058187 TDE= -0.342335 logGD-logG0= -0.010306 tlogG= -0.047785 logG= -0.058091 Density= 0.216298 ETOT(band)= -0.230514 trlgG= -0.286489 logG= -0.053332 TDE= -0.340192 Density= 0.214673 ETOT(band)= -0.234110 trlgG= -0.294072 logG= -0.058091 TDE= -0.342212 logGD-logG0= -0.004870 tlogG= -0.021561 logG= -0.026431 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009358 tlogG= -0.047446 logG= -0.056804 Density= 0.108526 ETOT(band)= -0.114898 trlgG= -0.142823 logG= -0.026431 TDE= -0.170096 Density= 0.214325 ETOT(band)= -0.233620 trlgG= -0.292962 logG= -0.056804 TDE= -0.342216 logGD-logG0= -0.009790 tlogG= -0.045647 logG= -0.055437 Density= 0.215166 ETOT(band)= -0.232427 trlgG= -0.290003 logG= -0.055437 TDE= -0.341040 logGD-logG0= -0.010245 tlogG= -0.047978 logG= -0.058223 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 Density= 0.215093 ETOT(band)= -0.234023 trlgG= -0.294334 logG= -0.058223 TDE= -0.342550 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004789 tlogG= -0.020986 logG= -0.025775 Density= 0.108723 ETOT(band)= -0.114309 trlgG= -0.141665 logG= -0.025775 TDE= -0.169692 Density= 0.054068 ETOT(band)= -0.057600 trlgG= -0.071541 logG= -0.013286 TDE= -0.085011 logGD-logG0= -0.010106 tlogG= -0.047659 logG= -0.057765 logGD-logG0= -0.010458 tlogG= -0.047941 logG= -0.058398 logGD-logG0= -0.009989 tlogG= -0.048028 logG= -0.058017 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214548 ETOT(band)= -0.234140 trlgG= -0.294154 logG= -0.058017 TDE= -0.342307 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010543 tlogG= -0.046876 logG= -0.057419 Density= 0.215450 ETOT(band)= -0.233377 trlgG= -0.293079 logG= -0.057419 TDE= -0.342275 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.047307 logG= -0.057640 Density= 0.214276 ETOT(band)= -0.234013 trlgG= -0.293324 logG= -0.057640 TDE= -0.341718 Density= 0.213962 ETOT(band)= -0.234221 trlgG= -0.293849 logG= -0.057765 TDE= -0.341963 logGD-logG0= -0.010533 tlogG= -0.047527 logG= -0.058060 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.046410 logG= -0.056513 Density= 0.215234 ETOT(band)= -0.232988 trlgG= -0.291636 logG= -0.056513 TDE= -0.341631 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215920 ETOT(band)= -0.233727 trlgG= -0.294680 logG= -0.058398 TDE= -0.343130 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010591 tlogG= -0.048144 logG= -0.058735 Density= 0.215723 ETOT(band)= -0.233612 trlgG= -0.294119 logG= -0.058060 TDE= -0.342809 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215446 ETOT(band)= -0.234183 trlgG= -0.295214 logG= -0.058735 TDE= -0.343092 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 Density= 0.035846 ETOT(band)= -0.038583 trlgG= -0.047910 logG= -0.008983 TDE= -0.056666 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010501 tlogG= -0.047419 logG= -0.057920 Density= 0.215489 ETOT(band)= -0.233653 trlgG= -0.293880 logG= -0.057920 TDE= -0.342595 logGD-logG0= -0.010478 tlogG= -0.048013 logG= -0.058491 Density= 0.215128 ETOT(band)= -0.234159 trlgG= -0.294778 logG= -0.058491 TDE= -0.342742 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010513 tlogG= -0.047889 logG= -0.058402 Density= 0.215791 ETOT(band)= -0.233800 trlgG= -0.294683 logG= -0.058402 TDE= -0.343066 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009713 tlogG= -0.047223 logG= -0.056936 Density= 0.214492 ETOT(band)= -0.233580 trlgG= -0.292734 logG= -0.056936 TDE= -0.341939 logGD-logG0= -0.002386 tlogG= -0.010424 logG= -0.012810 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054384 ETOT(band)= -0.057081 trlgG= -0.070693 logG= -0.012810 TDE= -0.084795 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021816 logG= -0.026851 Density= 0.107797 ETOT(band)= -0.115557 trlgG= -0.143568 logG= -0.026851 TDE= -0.170059 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010015 tlogG= -0.047150 logG= -0.057165 Density= 0.215170 ETOT(band)= -0.233389 trlgG= -0.292654 logG= -0.057165 TDE= -0.341966 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.021872 logG= -0.026828 Density= 0.108335 ETOT(band)= -0.115265 trlgG= -0.143504 logG= -0.026828 TDE= -0.170285 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021693 logG= -0.026669 Density= 0.107940 ETOT(band)= -0.115363 trlgG= -0.143257 logG= -0.026669 TDE= -0.170003 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080655 ETOT(band)= -0.087630 trlgG= -0.110172 logG= -0.007119 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023955 logG= -0.029098 Density= 0.216415 ETOT(band)= -0.233276 trlgG= -0.294125 logG= -0.029098 TDE= -0.171597 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023761 logG= -0.028924 Density= 0.216303 ETOT(band)= -0.233078 trlgG= -0.293421 logG= -0.028924 TDE= -0.171456 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008883 tlogG= -0.048095 logG= -0.056978 Density= 0.425544 ETOT(band)= -0.468461 trlgG= -0.586512 logG= -0.056978 TDE= -0.341837 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046712 logG= -0.056084 Density= 0.427911 ETOT(band)= -0.466239 trlgG= -0.581886 logG= -0.056084 TDE= -0.341277 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.021298 logG= -0.026169 Density= 0.162667 ETOT(band)= -0.173017 trlgG= -0.215921 logG= -0.026169 TDE= -0.169908 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009529 tlogG= -0.047768 logG= -0.057296 Density= 0.427196 ETOT(band)= -0.468029 trlgG= -0.585874 logG= -0.057296 TDE= -0.341557 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080840 ETOT(band)= -0.087664 trlgG= -0.110368 logG= -0.007207 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004395 tlogG= -0.023740 logG= -0.028135 Density= 0.213092 ETOT(band)= -0.233645 trlgG= -0.291789 logG= -0.028135 TDE= -0.170809 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005983 logG= -0.007250 Density= 0.081070 ETOT(band)= -0.087566 trlgG= -0.110420 logG= -0.007250 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080642 ETOT(band)= -0.087415 trlgG= -0.109617 logG= -0.006996 TDE= -0.042753 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080844 ETOT(band)= -0.086986 trlgG= -0.108613 logG= -0.006847 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023480 logG= -0.028695 Density= 0.215234 ETOT(band)= -0.233375 trlgG= -0.292921 logG= -0.028695 TDE= -0.171197 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.024000 logG= -0.029187 Density= 0.215709 ETOT(band)= -0.233901 trlgG= -0.294838 logG= -0.029187 TDE= -0.171607 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.007965 logG= -0.009386 Density= 0.070867 ETOT(band)= -0.077970 trlgG= -0.097462 logG= -0.009386 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023798 logG= -0.029018 Density= 0.215355 ETOT(band)= -0.233809 trlgG= -0.294184 logG= -0.029018 TDE= -0.171454 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023999 logG= -0.029148 Density= 0.216381 ETOT(band)= -0.233380 trlgG= -0.294358 logG= -0.029148 TDE= -0.171624 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.023844 logG= -0.028881 Density= 0.215518 ETOT(band)= -0.233804 trlgG= -0.294288 logG= -0.028881 TDE= -0.171142 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067560 trlgG= -0.084213 logG= -0.006348 TDE= -0.042366 logGD-logG0= -0.005040 tlogG= -0.023956 logG= -0.028996 Density= 0.214355 ETOT(band)= -0.234146 trlgG= -0.293931 logG= -0.028996 TDE= -0.171092 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.048038 logG= -0.058653 Density= 0.323281 ETOT(band)= -0.351053 trlgG= -0.442387 logG= -0.058653 TDE= -0.343082 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.023881 logG= -0.028761 Density= 0.213799 ETOT(band)= -0.234063 trlgG= -0.293025 logG= -0.028761 TDE= -0.170822 logGD-logG0= -0.005006 tlogG= -0.024162 logG= -0.029168 logGD-logG0= -0.004735 tlogG= -0.024005 logG= -0.028740 Density= 0.321589 ETOT(band)= -0.351185 trlgG= -0.441366 logG= -0.028740 TDE= -0.171254 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322470 ETOT(band)= -0.351293 trlgG= -0.442042 logG= -0.029168 TDE= -0.171260 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004263 tlogG= -0.024131 logG= -0.028394 Density= 0.212173 ETOT(band)= -0.234438 trlgG= -0.293716 logG= -0.028394 TDE= -0.171007 logGD-logG0= -0.005143 tlogG= -0.022966 logG= -0.028109 Density= 0.216248 ETOT(band)= -0.232126 trlgG= -0.290598 logG= -0.028109 TDE= -0.170929 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009608 tlogG= -0.046603 logG= -0.056210 logGD-logG0= -0.005279 tlogG= -0.024122 logG= -0.029401 Density= 0.322731 ETOT(band)= -0.349087 trlgG= -0.436425 logG= -0.056210 TDE= -0.341667 logGD-logG0= -0.010329 tlogG= -0.047784 logG= -0.058113 Density= 0.215742 ETOT(band)= -0.234057 trlgG= -0.295254 logG= -0.029401 TDE= -0.171640 Density= 0.324388 ETOT(band)= -0.349976 trlgG= -0.441035 logG= -0.058113 TDE= -0.343088 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022437 logG= -0.027519 Density= 0.216392 ETOT(band)= -0.231329 trlgG= -0.288612 logG= -0.027519 TDE= -0.170594 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.024156 logG= -0.029137 logGD-logG0= -0.005170 tlogG= -0.023414 logG= -0.028584 Density= 0.214759 ETOT(band)= -0.234216 trlgG= -0.294545 logG= -0.029137 TDE= -0.171265 logGD-logG0= -0.004745 tlogG= -0.023244 logG= -0.027989 Density= 0.213507 ETOT(band)= -0.233671 trlgG= -0.292247 logG= -0.027989 TDE= -0.170774 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216222 ETOT(band)= -0.232700 trlgG= -0.292214 logG= -0.028584 TDE= -0.171217 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.045626 logG= -0.055728 logGD-logG0= -0.004797 tlogG= -0.023836 logG= -0.028633 Density= 0.213583 ETOT(band)= -0.234203 trlgG= -0.293763 logG= -0.028633 TDE= -0.171078 logGD-logG0= -0.004451 tlogG= -0.023586 logG= -0.028037 Density= 0.212622 ETOT(band)= -0.234055 trlgG= -0.292766 logG= -0.028037 TDE= -0.170724 Density= 0.324076 ETOT(band)= -0.348013 trlgG= -0.434983 logG= -0.055728 TDE= -0.341513 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023972 logG= -0.028512 Density= 0.212814 ETOT(band)= -0.234331 trlgG= -0.293512 logG= -0.028512 TDE= -0.170860 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010376 tlogG= -0.047233 logG= -0.057609 Density= 0.324168 ETOT(band)= -0.349610 trlgG= -0.439688 logG= -0.057609 TDE= -0.342696 logGD-logG0= -0.004702 tlogG= -0.024006 logG= -0.028708 Density= 0.214134 ETOT(band)= -0.234138 trlgG= -0.294149 logG= -0.028708 TDE= -0.171259 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024083 logG= -0.029294 Density= 0.323095 ETOT(band)= -0.351262 trlgG= -0.442691 logG= -0.029294 TDE= -0.171453 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 Density= 0.040853 ETOT(band)= -0.042680 trlgG= -0.052798 logG= -0.008442 TDE= -0.056471 logGD-logG0= -0.004566 tlogG= -0.023889 logG= -0.028455 Density= 0.213289 ETOT(band)= -0.233919 trlgG= -0.292516 logG= -0.028455 TDE= -0.170812 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023366 logG= -0.028012 Density= 0.321657 ETOT(band)= -0.350138 trlgG= -0.438790 logG= -0.028012 TDE= -0.170929 logGD-logG0= -0.005328 tlogG= -0.023898 logG= -0.029225 logGD-logG0= -0.005133 tlogG= -0.023193 logG= -0.028326 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215668 ETOT(band)= -0.233803 trlgG= -0.294565 logG= -0.029225 TDE= -0.171463 logGD-logG0= -0.005312 tlogG= -0.023957 logG= -0.029269 Density= 0.323696 ETOT(band)= -0.350724 trlgG= -0.442128 logG= -0.029269 TDE= -0.171511 Density= 0.214884 ETOT(band)= -0.233004 trlgG= -0.291236 logG= -0.028326 TDE= -0.170647 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.046412 logG= -0.056786 Density= 0.324030 ETOT(band)= -0.348955 trlgG= -0.437603 logG= -0.056786 TDE= -0.342138 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023243 logG= -0.028235 Density= 0.321726 ETOT(band)= -0.350642 trlgG= -0.439640 logG= -0.028235 TDE= -0.170883 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 logGD-logG0= -0.004910 tlogG= -0.022291 logG= -0.027201 Density= 0.214271 ETOT(band)= -0.232495 trlgG= -0.289462 logG= -0.027201 TDE= -0.170196 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072237 ETOT(band)= -0.076494 trlgG= -0.094843 logG= -0.008797 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010581 tlogG= -0.047726 logG= -0.058307 logGD-logG0= -0.004614 tlogG= -0.023370 logG= -0.027984 logGD-logG0= -0.005376 tlogG= -0.023684 logG= -0.029059 Density= 0.215429 ETOT(band)= -0.233657 trlgG= -0.293868 logG= -0.029059 TDE= -0.171286 Density= 0.430793 ETOT(band)= -0.467617 trlgG= -0.588372 logG= -0.058307 TDE= -0.342728 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214196 ETOT(band)= -0.233426 trlgG= -0.292356 logG= -0.027984 TDE= -0.170937 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 Density= 0.071501 ETOT(band)= -0.077365 trlgG= -0.096161 logG= -0.009148 TDE= -0.056747 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.022473 logG= -0.027351 Density= 0.215037 ETOT(band)= -0.231715 trlgG= -0.288060 logG= -0.027351 TDE= -0.170209 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047838 logG= -0.057403 Density= 0.428063 ETOT(band)= -0.468262 trlgG= -0.587885 logG= -0.057403 TDE= -0.342324 logGD-logG0= -0.010179 tlogG= -0.047667 logG= -0.057846 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428319 ETOT(band)= -0.468243 trlgG= -0.587216 logG= -0.057846 TDE= -0.341965 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047955 logG= -0.058192 logGD-logG0= -0.009922 tlogG= -0.047558 logG= -0.057479 Density= 0.428636 ETOT(band)= -0.467587 trlgG= -0.586253 logG= -0.057479 TDE= -0.342009 Density= 0.429238 ETOT(band)= -0.468328 trlgG= -0.588298 logG= -0.058192 TDE= -0.342211 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023353 logG= -0.028751 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010068 tlogG= -0.048147 logG= -0.058215 Density= 0.429335 ETOT(band)= -0.468366 trlgG= -0.588651 logG= -0.058215 TDE= -0.342370 logGD-logG0= -0.009427 tlogG= -0.046605 logG= -0.056033 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428120 ETOT(band)= -0.466960 trlgG= -0.584492 logG= -0.056033 TDE= -0.341693 Density= 0.215125 ETOT(band)= -0.233401 trlgG= -0.292729 logG= -0.028751 TDE= -0.170992 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.048220 logG= -0.058421 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430076 ETOT(band)= -0.468367 trlgG= -0.589418 logG= -0.058421 TDE= -0.342586 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009575 tlogG= -0.047648 logG= -0.057223 Density= 0.426689 ETOT(band)= -0.468482 trlgG= -0.587025 logG= -0.057223 TDE= -0.341856 logGD-logG0= -0.004930 tlogG= -0.022904 logG= -0.027834 logGD-logG0= -0.010681 tlogG= -0.047692 logG= -0.058373 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431136 ETOT(band)= -0.467558 trlgG= -0.588729 logG= -0.058373 TDE= -0.342835 Density= 0.214811 ETOT(band)= -0.232451 trlgG= -0.289705 logG= -0.027834 TDE= -0.170460 logGD-logG0= -0.009741 tlogG= -0.044622 logG= -0.054363 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010412 tlogG= -0.048069 logG= -0.058481 Density= 0.431644 ETOT(band)= -0.462178 trlgG= -0.574760 logG= -0.054363 TDE= -0.340472 Density= 0.430183 ETOT(band)= -0.468197 trlgG= -0.589089 logG= -0.058481 TDE= -0.342712 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046928 logG= -0.057169 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429913 ETOT(band)= -0.466572 trlgG= -0.584249 logG= -0.057169 TDE= -0.341678 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 logGD-logG0= -0.009741 tlogG= -0.047852 logG= -0.057592 Density= 0.081568 ETOT(band)= -0.085702 trlgG= -0.106211 logG= -0.006502 TDE= -0.042468 Density= 0.429169 ETOT(band)= -0.468032 trlgG= -0.587852 logG= -0.057592 TDE= -0.342310 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046398 logG= -0.056255 Density= 0.429560 ETOT(band)= -0.465660 trlgG= -0.581552 logG= -0.056255 TDE= -0.341388 logGD-logG0= -0.010640 tlogG= -0.047265 logG= -0.057905 Density= 0.430520 ETOT(band)= -0.467194 trlgG= -0.586900 logG= -0.057905 TDE= -0.342344 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010605 tlogG= -0.048017 logG= -0.058623 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431378 ETOT(band)= -0.467840 trlgG= -0.589723 logG= -0.058623 TDE= -0.343100 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021877 logG= -0.026920 Density= 0.216650 ETOT(band)= -0.230330 trlgG= -0.286492 logG= -0.026920 TDE= -0.170254 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027123 Density= 0.322897 ETOT(band)= -0.348056 trlgG= -0.434035 logG= -0.027123 TDE= -0.170276 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010165 tlogG= -0.047568 logG= -0.057733 Density= 0.430046 ETOT(band)= -0.467218 trlgG= -0.586180 logG= -0.057733 TDE= -0.342124 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021348 logG= -0.026301 Density= 0.217044 ETOT(band)= -0.229221 trlgG= -0.284285 logG= -0.026301 TDE= -0.169922 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006683 logGD-logG0= -0.009893 tlogG= -0.044618 logG= -0.054511 Density= 0.081208 ETOT(band)= -0.086371 trlgG= -0.107372 logG= -0.006683 TDE= -0.042579 Density= 0.324318 ETOT(band)= -0.346743 trlgG= -0.431970 logG= -0.054511 TDE= -0.340834 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.021203 logG= -0.026115 Density= 0.216366 ETOT(band)= -0.230084 trlgG= -0.285546 logG= -0.026115 TDE= -0.169828 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022325 logG= -0.027082 Density= 0.215043 ETOT(band)= -0.232004 trlgG= -0.289106 logG= -0.027082 TDE= -0.170282 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.888683549034 eV TrLogG= -407.303934004801 eV Ratio to renormalize= 0.999950940883 rho-rho_expected= 0.001079353525 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 66) Finished k-point number 134 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 68) Finished k-point number 137 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964708821988747 0.940510967126356 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004289 tlogG= -0.024051 logG= -0.028340 Density= 0.106117 ETOT(band)= -0.117192 trlgG= -0.146794 logG= -0.028340 TDE= -0.170967 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.023974 logG= -0.028290 Density= 0.106169 ETOT(band)= -0.117148 trlgG= -0.146681 logG= -0.028290 TDE= -0.170929 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 logGD-logG0= -0.002404 tlogG= -0.012081 logG= -0.014486 logGD-logG0= -0.002586 tlogG= -0.012031 logG= -0.014618 Density= 0.053767 ETOT(band)= -0.058544 trlgG= -0.073685 logG= -0.014618 TDE= -0.085674 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053587 ETOT(band)= -0.058556 trlgG= -0.073628 logG= -0.014486 TDE= -0.085660 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038934 trlgG= -0.048609 logG= -0.009286 TDE= -0.056886 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 Density= 0.053564 ETOT(band)= -0.058412 trlgG= -0.073266 logG= -0.014192 TDE= -0.085580 Density= 0.035313 ETOT(band)= -0.039086 trlgG= -0.048974 logG= -0.009438 TDE= -0.057010 logGD-logG0= -0.004980 tlogG= -0.022406 logG= -0.027386 Density= 0.107641 ETOT(band)= -0.115984 trlgG= -0.144442 logG= -0.027386 TDE= -0.170323 logGD-logG0= -0.002316 tlogG= -0.011447 logG= -0.013763 Density= 0.053740 ETOT(band)= -0.058081 trlgG= -0.072501 logG= -0.013763 TDE= -0.085331 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011983 logG= -0.014525 Density= 0.054144 ETOT(band)= -0.058304 trlgG= -0.073546 logG= -0.014525 TDE= -0.085814 logGD-logG0= -0.005004 tlogG= -0.022455 logG= -0.027459 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108213 ETOT(band)= -0.115754 trlgG= -0.144561 logG= -0.027459 TDE= -0.170652 logGD-logG0= -0.005118 tlogG= -0.023762 logG= -0.028880 Density= 0.108189 ETOT(band)= -0.116559 trlgG= -0.146819 logG= -0.028880 TDE= -0.171477 logGD-logG0= -0.005113 tlogG= -0.023428 logG= -0.028542 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108141 ETOT(band)= -0.116397 trlgG= -0.146283 logG= -0.028542 TDE= -0.171255 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.023949 logG= -0.029053 logGD-logG0= -0.005247 tlogG= -0.024070 logG= -0.029317 Density= 0.107652 ETOT(band)= -0.117088 trlgG= -0.147515 logG= -0.029317 TDE= -0.171470 Density= 0.108240 ETOT(band)= -0.116633 trlgG= -0.147097 logG= -0.029053 TDE= -0.171607 logGD-logG0= -0.005072 tlogG= -0.022980 logG= -0.028052 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108145 ETOT(band)= -0.116127 trlgG= -0.145509 logG= -0.028052 TDE= -0.170972 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022167 logG= -0.027088 Density= 0.108370 ETOT(band)= -0.115448 trlgG= -0.143952 logG= -0.027088 TDE= -0.170491 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022848 logG= -0.027679 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107756 ETOT(band)= -0.116112 trlgG= -0.144926 logG= -0.027679 TDE= -0.170570 logGD-logG0= -0.004513 tlogG= -0.024045 logG= -0.028558 Density= 0.106390 ETOT(band)= -0.117179 trlgG= -0.146801 logG= -0.028558 TDE= -0.170891 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.011987 logG= -0.014598 Density= 0.053988 ETOT(band)= -0.058426 trlgG= -0.073668 logG= -0.014598 TDE= -0.085785 logGD-logG0= -0.005255 tlogG= -0.023682 logG= -0.028937 logGD-logG0= -0.004962 tlogG= -0.024091 logG= -0.029053 Density= 0.107387 ETOT(band)= -0.117054 trlgG= -0.147137 logG= -0.029053 TDE= -0.171225 Density= 0.107238 ETOT(band)= -0.117024 trlgG= -0.146848 logG= -0.028937 TDE= -0.170977 logGD-logG0= -0.005256 tlogG= -0.024086 logG= -0.029342 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027794 Density= 0.107898 ETOT(band)= -0.116995 trlgG= -0.147578 logG= -0.029342 TDE= -0.171629 Density= 0.106739 ETOT(band)= -0.116646 trlgG= -0.145472 logG= -0.027794 TDE= -0.170497 logGD-logG0= -0.001613 tlogG= -0.006990 logG= -0.008603 Density= 0.036200 ETOT(band)= -0.038133 trlgG= -0.047247 logG= -0.008603 TDE= -0.056557 logGD-logG0= -0.002386 tlogG= -0.010424 logG= -0.012810 Density= 0.054384 ETOT(band)= -0.057081 trlgG= -0.070692 logG= -0.012810 TDE= -0.084794 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.023641 logG= -0.028608 Density= 0.106983 ETOT(band)= -0.116954 trlgG= -0.146298 logG= -0.028608 TDE= -0.170631 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023900 logG= -0.029180 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005064 tlogG= -0.023214 logG= -0.028278 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.023870 logG= -0.028961 Density= 0.108261 ETOT(band)= -0.116569 trlgG= -0.146948 logG= -0.028961 TDE= -0.171559 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108205 ETOT(band)= -0.116220 trlgG= -0.145864 logG= -0.028278 TDE= -0.171131 Density= 0.107761 ETOT(band)= -0.116954 trlgG= -0.147299 logG= -0.029180 TDE= -0.171445 logGD-logG0= -0.005289 tlogG= -0.024132 logG= -0.029421 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107821 ETOT(band)= -0.117083 trlgG= -0.147704 logG= -0.029421 TDE= -0.171638 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023966 logG= -0.029163 logGD-logG0= -0.004999 tlogG= -0.022731 logG= -0.027731 Density= 0.108259 ETOT(band)= -0.115891 trlgG= -0.144997 logG= -0.027731 TDE= -0.170838 Density= 0.107452 ETOT(band)= -0.117075 trlgG= -0.147242 logG= -0.029163 TDE= -0.171252 logGD-logG0= -0.005094 tlogG= -0.023603 logG= -0.028698 Density= 0.108215 ETOT(band)= -0.116443 trlgG= -0.146527 logG= -0.028698 TDE= -0.171379 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022989 logG= -0.027665 Density= 0.106875 ETOT(band)= -0.116514 trlgG= -0.145208 logG= -0.027665 TDE= -0.170431 logGD-logG0= -0.004648 tlogG= -0.023667 logG= -0.028315 Density= 0.106600 ETOT(band)= -0.116984 trlgG= -0.146385 logG= -0.028315 TDE= -0.170822 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022873 logG= -0.027952 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023685 logG= -0.028362 Density= 0.106981 ETOT(band)= -0.116865 trlgG= -0.146489 logG= -0.028362 TDE= -0.171066 Density= 0.107624 ETOT(band)= -0.116317 trlgG= -0.145339 logG= -0.027952 TDE= -0.170644 logGD-logG0= -0.004702 tlogG= -0.023499 logG= -0.028201 Density= 0.106777 ETOT(band)= -0.116836 trlgG= -0.145955 logG= -0.028201 TDE= -0.170592 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.023891 logG= -0.028763 Density= 0.106761 ETOT(band)= -0.117137 trlgG= -0.146912 logG= -0.028763 TDE= -0.170979 logGD-logG0= -0.004849 tlogG= -0.024068 logG= -0.028917 Density= 0.107062 ETOT(band)= -0.117117 trlgG= -0.147165 logG= -0.028917 TDE= -0.171228 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023194 logG= -0.028464 Density= 0.107691 ETOT(band)= -0.116565 trlgG= -0.146148 logG= -0.028464 TDE= -0.170975 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023578 logG= -0.028858 Density= 0.107810 ETOT(band)= -0.116725 trlgG= -0.146777 logG= -0.028858 TDE= -0.171269 logGD-logG0= -0.005242 tlogG= -0.023869 logG= -0.029111 logGD-logG0= -0.009720 tlogG= -0.048242 logG= -0.057962 Density= 0.107926 ETOT(band)= -0.116821 trlgG= -0.147192 logG= -0.029111 TDE= -0.171489 Density= 0.214416 ETOT(band)= -0.234192 trlgG= -0.294403 logG= -0.057962 TDE= -0.342545 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023687 logG= -0.028485 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107386 ETOT(band)= -0.116744 trlgG= -0.146396 logG= -0.028485 TDE= -0.171051 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009406 tlogG= -0.045757 logG= -0.055164 Density= 0.215032 ETOT(band)= -0.232350 trlgG= -0.290009 logG= -0.055164 TDE= -0.341254 logGD-logG0= -0.009586 tlogG= -0.047157 logG= -0.056744 Density= 0.213776 ETOT(band)= -0.233789 trlgG= -0.292831 logG= -0.056744 TDE= -0.341874 logGD-logG0= -0.009044 tlogG= -0.047630 logG= -0.056674 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212930 ETOT(band)= -0.234092 trlgG= -0.292905 logG= -0.056674 TDE= -0.341599 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009686 tlogG= -0.045588 logG= -0.055274 Density= 0.214373 ETOT(band)= -0.232703 trlgG= -0.290190 logG= -0.055274 TDE= -0.340999 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009866 tlogG= -0.047899 logG= -0.057765 Density= 0.213981 ETOT(band)= -0.234232 trlgG= -0.294093 logG= -0.057765 TDE= -0.342217 logGD-logG0= -0.009747 tlogG= -0.047152 logG= -0.056900 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010442 tlogG= -0.047745 logG= -0.058187 Density= 0.214774 ETOT(band)= -0.234114 trlgG= -0.294238 logG= -0.058187 TDE= -0.342332 Density= 0.213787 ETOT(band)= -0.233833 trlgG= -0.292622 logG= -0.056900 TDE= -0.341515 logGD-logG0= -0.009474 tlogG= -0.047929 logG= -0.057403 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213280 ETOT(band)= -0.234299 trlgG= -0.293548 logG= -0.057403 TDE= -0.341687 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009359 tlogG= -0.047445 logG= -0.056804 Density= 0.214324 ETOT(band)= -0.233617 trlgG= -0.292958 logG= -0.056804 TDE= -0.342212 logGD-logG0= -0.010246 tlogG= -0.047977 logG= -0.058223 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.024057 logG= -0.029288 Density= 0.215092 ETOT(band)= -0.234021 trlgG= -0.294331 logG= -0.058223 TDE= -0.342546 logGD-logG0= -0.010307 tlogG= -0.047785 logG= -0.058091 Density= 0.214672 ETOT(band)= -0.234108 trlgG= -0.294069 logG= -0.058091 TDE= -0.342208 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107958 ETOT(band)= -0.116927 trlgG= -0.147489 logG= -0.029288 TDE= -0.171624 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010479 tlogG= -0.048013 logG= -0.058491 Density= 0.215126 ETOT(band)= -0.234157 trlgG= -0.294775 logG= -0.058491 TDE= -0.342739 logGD-logG0= -0.010107 tlogG= -0.047658 logG= -0.057765 Density= 0.213961 ETOT(band)= -0.234219 trlgG= -0.293846 logG= -0.057765 TDE= -0.341959 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010397 tlogG= -0.048079 logG= -0.058476 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 Density= 0.035846 ETOT(band)= -0.038583 trlgG= -0.047910 logG= -0.008983 TDE= -0.056665 Density= 0.215089 ETOT(band)= -0.234166 trlgG= -0.294747 logG= -0.058476 TDE= -0.342708 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009791 tlogG= -0.045646 logG= -0.055437 Density= 0.215165 ETOT(band)= -0.232424 trlgG= -0.290000 logG= -0.055437 TDE= -0.341037 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009990 tlogG= -0.048027 logG= -0.058017 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214547 ETOT(band)= -0.234138 trlgG= -0.294151 logG= -0.058017 TDE= -0.342303 logGD-logG0= -0.004789 tlogG= -0.020986 logG= -0.025775 Density= 0.108722 ETOT(band)= -0.114308 trlgG= -0.141664 logG= -0.025775 TDE= -0.169690 logGD-logG0= -0.010459 tlogG= -0.047940 logG= -0.058398 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004708 tlogG= -0.022851 logG= -0.027559 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215919 ETOT(band)= -0.233725 trlgG= -0.294678 logG= -0.058398 TDE= -0.343127 logGD-logG0= -0.010104 tlogG= -0.046409 logG= -0.056514 Density= 0.215233 ETOT(band)= -0.232986 trlgG= -0.291633 logG= -0.056514 TDE= -0.341628 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107303 ETOT(band)= -0.116259 trlgG= -0.145055 logG= -0.027559 TDE= -0.170595 logGD-logG0= -0.010534 tlogG= -0.047527 logG= -0.058060 logGD-logG0= -0.010334 tlogG= -0.047306 logG= -0.057640 Density= 0.214275 ETOT(band)= -0.234010 trlgG= -0.293321 logG= -0.057640 TDE= -0.341714 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.046875 logG= -0.057419 Density= 0.215449 ETOT(band)= -0.233375 trlgG= -0.293076 logG= -0.057419 TDE= -0.342272 Density= 0.215722 ETOT(band)= -0.233610 trlgG= -0.294116 logG= -0.058060 TDE= -0.342806 logGD-logG0= -0.010592 tlogG= -0.048143 logG= -0.058735 Density= 0.215444 ETOT(band)= -0.234181 trlgG= -0.295211 logG= -0.058735 TDE= -0.343089 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009714 tlogG= -0.047222 logG= -0.056936 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214491 ETOT(band)= -0.233577 trlgG= -0.292731 logG= -0.056936 TDE= -0.341935 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047418 logG= -0.057920 Density= 0.215488 ETOT(band)= -0.233651 trlgG= -0.293877 logG= -0.057920 TDE= -0.342591 logGD-logG0= -0.010514 tlogG= -0.047888 logG= -0.058402 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215790 ETOT(band)= -0.233798 trlgG= -0.294681 logG= -0.058402 TDE= -0.343062 logGD-logG0= -0.005036 tlogG= -0.021816 logG= -0.026852 Density= 0.107796 ETOT(band)= -0.115555 trlgG= -0.143566 logG= -0.026852 TDE= -0.170058 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 Density= 0.054068 ETOT(band)= -0.057600 trlgG= -0.071540 logG= -0.013286 TDE= -0.085010 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010016 tlogG= -0.047149 logG= -0.057165 Density= 0.215169 ETOT(band)= -0.233387 trlgG= -0.292651 logG= -0.057165 TDE= -0.341962 logGD-logG0= -0.004956 tlogG= -0.021872 logG= -0.026828 Density= 0.108334 ETOT(band)= -0.115264 trlgG= -0.143503 logG= -0.026828 TDE= -0.170284 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004870 tlogG= -0.021561 logG= -0.026431 Density= 0.108525 ETOT(band)= -0.114897 trlgG= -0.142822 logG= -0.026431 TDE= -0.170094 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021693 logG= -0.026669 Density= 0.107940 ETOT(band)= -0.115362 trlgG= -0.143256 logG= -0.026669 TDE= -0.170001 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009947 tlogG= -0.043386 logG= -0.053332 Density= 0.216296 ETOT(band)= -0.230512 trlgG= -0.286487 logG= -0.053332 TDE= -0.340189 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004263 tlogG= -0.024131 logG= -0.028394 Density= 0.212172 ETOT(band)= -0.234435 trlgG= -0.293712 logG= -0.028394 TDE= -0.171005 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023586 logG= -0.028037 Density= 0.212621 ETOT(band)= -0.234052 trlgG= -0.292762 logG= -0.028037 TDE= -0.170722 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080839 ETOT(band)= -0.087663 trlgG= -0.110367 logG= -0.007207 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001264 tlogG= -0.005855 logG= -0.007119 Density= 0.080655 ETOT(band)= -0.087629 trlgG= -0.110171 logG= -0.007119 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080642 ETOT(band)= -0.087415 trlgG= -0.109616 logG= -0.006996 TDE= -0.042753 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080844 ETOT(band)= -0.086985 trlgG= -0.108612 logG= -0.006847 TDE= -0.042676 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.024000 logG= -0.029187 Density= 0.215708 ETOT(band)= -0.233899 trlgG= -0.294835 logG= -0.029187 TDE= -0.171605 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005983 logG= -0.007250 Density= 0.081069 ETOT(band)= -0.087565 trlgG= -0.110419 logG= -0.007250 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001421 tlogG= -0.007965 logG= -0.009386 Density= 0.070867 ETOT(band)= -0.077969 trlgG= -0.097461 logG= -0.009386 TDE= -0.056971 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023798 logG= -0.029018 Density= 0.215354 ETOT(band)= -0.233807 trlgG= -0.294181 logG= -0.029018 TDE= -0.171452 logGD-logG0= -0.005150 tlogG= -0.023998 logG= -0.029148 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216380 ETOT(band)= -0.233378 trlgG= -0.294355 logG= -0.029148 TDE= -0.171622 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.024005 logG= -0.028740 Density= 0.321587 ETOT(band)= -0.351181 trlgG= -0.441362 logG= -0.028740 TDE= -0.171253 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023956 logG= -0.028996 Density= 0.214354 ETOT(band)= -0.234143 trlgG= -0.293928 logG= -0.028996 TDE= -0.171091 logGD-logG0= -0.005215 tlogG= -0.023480 logG= -0.028695 Density= 0.215233 ETOT(band)= -0.233373 trlgG= -0.292918 logG= -0.028695 TDE= -0.171195 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 logGD-logG0= -0.005082 tlogG= -0.022437 logG= -0.027519 Density= 0.081568 ETOT(band)= -0.085701 trlgG= -0.106210 logG= -0.006502 TDE= -0.042467 Density= 0.216391 ETOT(band)= -0.231327 trlgG= -0.288609 logG= -0.027519 TDE= -0.170593 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005280 tlogG= -0.024121 logG= -0.029401 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215741 ETOT(band)= -0.234055 trlgG= -0.295251 logG= -0.029401 TDE= -0.171638 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010330 tlogG= -0.047784 logG= -0.058113 Density= 0.324386 ETOT(band)= -0.349973 trlgG= -0.441032 logG= -0.058113 TDE= -0.343085 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023413 logG= -0.028584 Density= 0.216220 ETOT(band)= -0.232698 trlgG= -0.292212 logG= -0.028584 TDE= -0.171215 logGD-logG0= -0.005143 tlogG= -0.023955 logG= -0.029098 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216413 ETOT(band)= -0.233274 trlgG= -0.294122 logG= -0.029098 TDE= -0.171595 logGD-logG0= -0.010616 tlogG= -0.048038 logG= -0.058653 Density= 0.323279 ETOT(band)= -0.351050 trlgG= -0.442382 logG= -0.058653 TDE= -0.343079 logGD-logG0= -0.004880 tlogG= -0.023881 logG= -0.028761 Density= 0.213798 ETOT(band)= -0.234061 trlgG= -0.293022 logG= -0.028761 TDE= -0.170820 logGD-logG0= -0.004396 tlogG= -0.023739 logG= -0.028135 Density= 0.213091 ETOT(band)= -0.233642 trlgG= -0.291785 logG= -0.028135 TDE= -0.170807 logGD-logG0= -0.010103 tlogG= -0.045625 logG= -0.055728 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004541 tlogG= -0.023972 logG= -0.028512 Density= 0.212813 ETOT(band)= -0.234328 trlgG= -0.293508 logG= -0.028512 TDE= -0.170858 logGD-logG0= -0.005038 tlogG= -0.023843 logG= -0.028881 Density= 0.324074 ETOT(band)= -0.348010 trlgG= -0.434979 logG= -0.055728 TDE= -0.341510 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215516 ETOT(band)= -0.233802 trlgG= -0.294285 logG= -0.028881 TDE= -0.171141 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047232 logG= -0.057609 Density= 0.324166 ETOT(band)= -0.349607 trlgG= -0.439685 logG= -0.057609 TDE= -0.342692 logGD-logG0= -0.004566 tlogG= -0.023889 logG= -0.028455 Density= 0.213288 ETOT(band)= -0.233916 trlgG= -0.292513 logG= -0.028455 TDE= -0.170810 logGD-logG0= -0.005143 tlogG= -0.022966 logG= -0.028109 logGD-logG0= -0.005212 tlogG= -0.024082 logG= -0.029294 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323092 ETOT(band)= -0.351259 trlgG= -0.442687 logG= -0.029294 TDE= -0.171451 Density= 0.216246 ETOT(band)= -0.232124 trlgG= -0.290596 logG= -0.028109 TDE= -0.170928 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.024156 logG= -0.029136 Density= 0.214758 ETOT(band)= -0.234214 trlgG= -0.294542 logG= -0.029136 TDE= -0.171263 logGD-logG0= -0.009608 tlogG= -0.046602 logG= -0.056210 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322729 ETOT(band)= -0.349084 trlgG= -0.436420 logG= -0.056210 TDE= -0.341663 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001178 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067560 trlgG= -0.084212 logG= -0.006348 TDE= -0.042366 logGD-logG0= -0.004646 tlogG= -0.023366 logG= -0.028012 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005006 tlogG= -0.024161 logG= -0.029168 Density= 0.322468 ETOT(band)= -0.351289 trlgG= -0.442037 logG= -0.029168 TDE= -0.171258 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023760 logG= -0.028924 Density= 0.321655 ETOT(band)= -0.350134 trlgG= -0.438785 logG= -0.028012 TDE= -0.170927 Density= 0.216302 ETOT(band)= -0.233076 trlgG= -0.293418 logG= -0.028924 TDE= -0.171454 logGD-logG0= -0.004745 tlogG= -0.023243 logG= -0.027989 Density= 0.213506 ETOT(band)= -0.233669 trlgG= -0.292244 logG= -0.027989 TDE= -0.170772 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072237 ETOT(band)= -0.076494 trlgG= -0.094843 logG= -0.008797 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001570 tlogG= -0.006873 logG= -0.008442 logGD-logG0= -0.004992 tlogG= -0.023243 logG= -0.028235 Density= 0.321724 ETOT(band)= -0.350639 trlgG= -0.439636 logG= -0.028235 TDE= -0.170881 Density= 0.040853 ETOT(band)= -0.042680 trlgG= -0.052797 logG= -0.008442 TDE= -0.056471 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010375 tlogG= -0.046411 logG= -0.056786 Density= 0.324028 ETOT(band)= -0.348952 trlgG= -0.437599 logG= -0.056786 TDE= -0.342135 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023897 logG= -0.029225 Density= 0.215667 ETOT(band)= -0.233801 trlgG= -0.294563 logG= -0.029225 TDE= -0.171461 logGD-logG0= -0.004702 tlogG= -0.024006 logG= -0.028708 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214133 ETOT(band)= -0.234136 trlgG= -0.294146 logG= -0.028708 TDE= -0.171258 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023683 logG= -0.029059 logGD-logG0= -0.004614 tlogG= -0.023369 logG= -0.027984 Density= 0.214195 ETOT(band)= -0.233424 trlgG= -0.292353 logG= -0.027984 TDE= -0.170935 Density= 0.215427 ETOT(band)= -0.233655 trlgG= -0.293866 logG= -0.029059 TDE= -0.171284 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023835 logG= -0.028633 Density= 0.213583 ETOT(band)= -0.234201 trlgG= -0.293760 logG= -0.028633 TDE= -0.171076 logGD-logG0= -0.005313 tlogG= -0.023956 logG= -0.029269 Density= 0.323694 ETOT(band)= -0.350721 trlgG= -0.442124 logG= -0.029269 TDE= -0.171510 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008884 tlogG= -0.048094 logG= -0.056978 logGD-logG0= -0.005133 tlogG= -0.023193 logG= -0.028326 Density= 0.425542 ETOT(band)= -0.468456 trlgG= -0.586505 logG= -0.056978 TDE= -0.341833 logGD-logG0= -0.005399 tlogG= -0.023352 logG= -0.028751 Density= 0.214883 ETOT(band)= -0.233002 trlgG= -0.291233 logG= -0.028326 TDE= -0.170646 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007588 logG= -0.009148 Density= 0.071500 ETOT(band)= -0.077364 trlgG= -0.096160 logG= -0.009148 TDE= -0.056747 logGD-logG0= -0.004879 tlogG= -0.022472 logG= -0.027351 Density= 0.215036 ETOT(band)= -0.231712 trlgG= -0.288057 logG= -0.027351 TDE= -0.170207 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215124 ETOT(band)= -0.233399 trlgG= -0.292727 logG= -0.028751 TDE= -0.170990 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046711 logG= -0.056084 logGD-logG0= -0.009566 tlogG= -0.047837 logG= -0.057403 Density= 0.427910 ETOT(band)= -0.466234 trlgG= -0.581880 logG= -0.056084 TDE= -0.341274 Density= 0.428061 ETOT(band)= -0.468257 trlgG= -0.587879 logG= -0.057403 TDE= -0.342320 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010069 tlogG= -0.048146 logG= -0.058215 logGD-logG0= -0.009428 tlogG= -0.046605 logG= -0.056033 Density= 0.428118 ETOT(band)= -0.466955 trlgG= -0.584485 logG= -0.056033 TDE= -0.341689 Density= 0.429333 ETOT(band)= -0.468362 trlgG= -0.588645 logG= -0.058215 TDE= -0.342367 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.047954 logG= -0.058192 Density= 0.429236 ETOT(band)= -0.468324 trlgG= -0.588292 logG= -0.058192 TDE= -0.342207 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010413 tlogG= -0.048068 logG= -0.058481 Density= 0.430180 ETOT(band)= -0.468192 trlgG= -0.589083 logG= -0.058481 TDE= -0.342708 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.048219 logG= -0.058421 Density= 0.430073 ETOT(band)= -0.468362 trlgG= -0.589412 logG= -0.058421 TDE= -0.342583 logGD-logG0= -0.010180 tlogG= -0.047666 logG= -0.057846 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428317 ETOT(band)= -0.468238 trlgG= -0.587210 logG= -0.057846 TDE= -0.341961 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.021298 logG= -0.026169 Density= 0.162666 ETOT(band)= -0.173016 trlgG= -0.215919 logG= -0.026169 TDE= -0.169907 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022904 logG= -0.027834 Density= 0.214810 ETOT(band)= -0.232449 trlgG= -0.289703 logG= -0.027834 TDE= -0.170458 logGD-logG0= -0.009575 tlogG= -0.047648 logG= -0.057223 Density= 0.426688 ETOT(band)= -0.468476 trlgG= -0.587019 logG= -0.057223 TDE= -0.341852 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009742 tlogG= -0.047851 logG= -0.057592 Density= 0.429166 ETOT(band)= -0.468027 trlgG= -0.587846 logG= -0.057592 TDE= -0.342307 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047726 logG= -0.058307 Density= 0.430790 ETOT(band)= -0.467612 trlgG= -0.588366 logG= -0.058307 TDE= -0.342724 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010242 tlogG= -0.046927 logG= -0.057169 Density= 0.429911 ETOT(band)= -0.466568 trlgG= -0.584244 logG= -0.057169 TDE= -0.341675 logGD-logG0= -0.009529 tlogG= -0.047767 logG= -0.057296 logGD-logG0= -0.010682 tlogG= -0.047691 logG= -0.058373 Density= 0.431133 ETOT(band)= -0.467554 trlgG= -0.588724 logG= -0.058373 TDE= -0.342831 Density= 0.427194 ETOT(band)= -0.468024 trlgG= -0.585868 logG= -0.057296 TDE= -0.341554 logGD-logG0= -0.009922 tlogG= -0.047557 logG= -0.057479 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428634 ETOT(band)= -0.467582 trlgG= -0.586247 logG= -0.057479 TDE= -0.342006 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046397 logG= -0.056255 Density= 0.429558 ETOT(band)= -0.465655 trlgG= -0.581547 logG= -0.056255 TDE= -0.341384 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010606 tlogG= -0.048016 logG= -0.058623 Density= 0.431376 ETOT(band)= -0.467836 trlgG= -0.589717 logG= -0.058623 TDE= -0.343096 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027123 logGD-logG0= -0.010641 tlogG= -0.047265 logG= -0.057905 Density= 0.430518 ETOT(band)= -0.467189 trlgG= -0.586895 logG= -0.057905 TDE= -0.342340 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322895 ETOT(band)= -0.348052 trlgG= -0.434031 logG= -0.027123 TDE= -0.170275 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010166 tlogG= -0.047567 logG= -0.057733 Density= 0.430043 ETOT(band)= -0.467213 trlgG= -0.586174 logG= -0.057733 TDE= -0.342121 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009894 tlogG= -0.044618 logG= -0.054512 Density= 0.324316 ETOT(band)= -0.346740 trlgG= -0.431966 logG= -0.054512 TDE= -0.340831 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021348 logG= -0.026302 Density= 0.217043 ETOT(band)= -0.229219 trlgG= -0.284283 logG= -0.026302 TDE= -0.169920 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005467 logG= -0.006683 Density= 0.081208 ETOT(band)= -0.086371 trlgG= -0.107372 logG= -0.006683 TDE= -0.042579 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004911 tlogG= -0.022291 logG= -0.027201 Density= 0.214270 ETOT(band)= -0.232493 trlgG= -0.289459 logG= -0.027201 TDE= -0.170194 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005043 tlogG= -0.021877 logG= -0.026920 Density= 0.216649 ETOT(band)= -0.230328 trlgG= -0.286490 logG= -0.026920 TDE= -0.170252 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022325 logG= -0.027082 Density= 0.215042 ETOT(band)= -0.232001 trlgG= -0.289103 logG= -0.027082 TDE= -0.170281 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021203 logG= -0.026115 Density= 0.216365 ETOT(band)= -0.230082 trlgG= -0.285543 logG= -0.026115 TDE= -0.169826 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.044622 logG= -0.054363 Density= 0.431642 ETOT(band)= -0.462174 trlgG= -0.574755 logG= -0.054363 TDE= -0.340469 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.885522916235 eV TrLogG= -407.299221918207 eV Ratio to renormalize= 0.999956220703 rho-rho_expected= 0.000963186700 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964679222951489 0.940480478505786 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 Density= 0.053565 ETOT(band)= -0.058413 trlgG= -0.073267 logG= -0.014192 TDE= -0.085581 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053767 ETOT(band)= -0.058544 trlgG= -0.073686 logG= -0.014618 TDE= -0.085674 Density= 0.053588 ETOT(band)= -0.058557 trlgG= -0.073629 logG= -0.014486 TDE= -0.085661 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 logGD-logG0= -0.004966 tlogG= -0.023642 logG= -0.028608 Density= 0.106984 ETOT(band)= -0.116955 trlgG= -0.146300 logG= -0.028608 TDE= -0.170633 logGD-logG0= -0.004921 tlogG= -0.022167 logG= -0.027088 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108370 ETOT(band)= -0.115449 trlgG= -0.143954 logG= -0.027088 TDE= -0.170492 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038934 trlgG= -0.048609 logG= -0.009286 TDE= -0.056887 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 logGD-logG0= -0.005255 tlogG= -0.023683 logG= -0.028938 logGD-logG0= -0.004676 tlogG= -0.023686 logG= -0.028362 Density= 0.106981 ETOT(band)= -0.116866 trlgG= -0.146491 logG= -0.028362 TDE= -0.171068 Density= 0.035313 ETOT(band)= -0.039086 trlgG= -0.048975 logG= -0.009438 TDE= -0.057011 Density= 0.107239 ETOT(band)= -0.117025 trlgG= -0.146850 logG= -0.028938 TDE= -0.170979 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.023892 logG= -0.028764 Density= 0.106761 ETOT(band)= -0.117139 trlgG= -0.146914 logG= -0.028764 TDE= -0.170981 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022874 logG= -0.027953 Density= 0.107624 ETOT(band)= -0.116318 trlgG= -0.145341 logG= -0.027953 TDE= -0.170646 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023194 logG= -0.028465 Density= 0.107692 ETOT(band)= -0.116566 trlgG= -0.146150 logG= -0.028465 TDE= -0.170977 logGD-logG0= -0.002542 tlogG= -0.011984 logG= -0.014526 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054144 ETOT(band)= -0.058305 trlgG= -0.073547 logG= -0.014526 TDE= -0.085814 logGD-logG0= -0.002316 tlogG= -0.011447 logG= -0.013763 Density= 0.053740 ETOT(band)= -0.058082 trlgG= -0.072502 logG= -0.013763 TDE= -0.085332 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024051 logG= -0.028340 Density= 0.106118 ETOT(band)= -0.117194 trlgG= -0.146796 logG= -0.028340 TDE= -0.170968 logGD-logG0= -0.005117 tlogG= -0.023763 logG= -0.028880 Density= 0.108190 ETOT(band)= -0.116560 trlgG= -0.146821 logG= -0.028880 TDE= -0.171478 logGD-logG0= -0.005113 tlogG= -0.023429 logG= -0.028542 Density= 0.108142 ETOT(band)= -0.116398 trlgG= -0.146285 logG= -0.028542 TDE= -0.171257 logGD-logG0= -0.005004 tlogG= -0.022455 logG= -0.027459 Density= 0.108214 ETOT(band)= -0.115756 trlgG= -0.144562 logG= -0.027459 TDE= -0.170653 logGD-logG0= -0.005104 tlogG= -0.023949 logG= -0.029053 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108241 ETOT(band)= -0.116634 trlgG= -0.147099 logG= -0.029053 TDE= -0.171608 logGD-logG0= -0.005071 tlogG= -0.022981 logG= -0.028052 Density= 0.108146 ETOT(band)= -0.116128 trlgG= -0.145510 logG= -0.028052 TDE= -0.170974 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023687 logG= -0.028485 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107386 ETOT(band)= -0.116745 trlgG= -0.146398 logG= -0.028485 TDE= -0.171052 logGD-logG0= -0.005247 tlogG= -0.024070 logG= -0.029317 Density= 0.107652 ETOT(band)= -0.117089 trlgG= -0.147517 logG= -0.029317 TDE= -0.171471 logGD-logG0= -0.002611 tlogG= -0.011988 logG= -0.014599 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.024092 logG= -0.029053 Density= 0.107388 ETOT(band)= -0.117056 trlgG= -0.147139 logG= -0.029053 TDE= -0.171226 logGD-logG0= -0.004513 tlogG= -0.024045 logG= -0.028558 Density= 0.053988 ETOT(band)= -0.058426 trlgG= -0.073669 logG= -0.014599 TDE= -0.085786 Density= 0.106390 ETOT(band)= -0.117180 trlgG= -0.146803 logG= -0.028558 TDE= -0.170893 logGD-logG0= -0.005255 tlogG= -0.024087 logG= -0.029342 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107899 ETOT(band)= -0.116996 trlgG= -0.147580 logG= -0.029342 TDE= -0.171631 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.023604 logG= -0.028698 Density= 0.108215 ETOT(band)= -0.116444 trlgG= -0.146529 logG= -0.028698 TDE= -0.171381 logGD-logG0= -0.005064 tlogG= -0.023214 logG= -0.028278 Density= 0.108205 ETOT(band)= -0.116221 trlgG= -0.145866 logG= -0.028278 TDE= -0.171133 logGD-logG0= -0.005288 tlogG= -0.024133 logG= -0.029421 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107822 ETOT(band)= -0.117084 trlgG= -0.147706 logG= -0.029421 TDE= -0.171640 logGD-logG0= -0.005091 tlogG= -0.023870 logG= -0.028962 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023966 logG= -0.029164 Density= 0.107453 ETOT(band)= -0.117076 trlgG= -0.147244 logG= -0.029164 TDE= -0.171253 logGD-logG0= -0.004676 tlogG= -0.022989 logG= -0.027665 Density= 0.106875 ETOT(band)= -0.116516 trlgG= -0.145210 logG= -0.027665 TDE= -0.170433 logGD-logG0= -0.004648 tlogG= -0.023668 logG= -0.028316 Density= 0.108261 ETOT(band)= -0.116570 trlgG= -0.146950 logG= -0.028962 TDE= -0.171561 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022848 logG= -0.027680 Density= 0.106601 ETOT(band)= -0.116985 trlgG= -0.146387 logG= -0.028316 TDE= -0.170823 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107756 ETOT(band)= -0.116114 trlgG= -0.144928 logG= -0.027680 TDE= -0.170572 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023901 logG= -0.029181 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.022732 logG= -0.027731 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107762 ETOT(band)= -0.116955 trlgG= -0.147301 logG= -0.029181 TDE= -0.171446 Density= 0.108259 ETOT(band)= -0.115892 trlgG= -0.144998 logG= -0.027731 TDE= -0.170840 logGD-logG0= -0.004980 tlogG= -0.022407 logG= -0.027387 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107642 ETOT(band)= -0.115985 trlgG= -0.144444 logG= -0.027387 TDE= -0.170324 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.023499 logG= -0.028201 logGD-logG0= -0.004849 tlogG= -0.024069 logG= -0.028917 Density= 0.106777 ETOT(band)= -0.116838 trlgG= -0.145957 logG= -0.028201 TDE= -0.170594 Density= 0.107063 ETOT(band)= -0.117119 trlgG= -0.147167 logG= -0.028917 TDE= -0.171229 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054068 ETOT(band)= -0.057600 trlgG= -0.071541 logG= -0.013286 TDE= -0.085011 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004708 tlogG= -0.022851 logG= -0.027559 Density= 0.107303 ETOT(band)= -0.116260 trlgG= -0.145057 logG= -0.027559 TDE= -0.170596 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.023870 logG= -0.029111 Density= 0.107926 ETOT(band)= -0.116822 trlgG= -0.147194 logG= -0.029111 TDE= -0.171490 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.023974 logG= -0.028290 logGD-logG0= -0.009720 tlogG= -0.048243 logG= -0.057963 Density= 0.106170 ETOT(band)= -0.117150 trlgG= -0.146683 logG= -0.028290 TDE= -0.170931 Density= 0.214417 ETOT(band)= -0.234194 trlgG= -0.294407 logG= -0.057963 TDE= -0.342548 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009406 tlogG= -0.045759 logG= -0.055164 Density= 0.215033 ETOT(band)= -0.232352 trlgG= -0.290013 logG= -0.055164 TDE= -0.341257 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023579 logG= -0.028858 logGD-logG0= -0.009586 tlogG= -0.047159 logG= -0.056745 Density= 0.107810 ETOT(band)= -0.116727 trlgG= -0.146779 logG= -0.028858 TDE= -0.171271 Density= 0.213777 ETOT(band)= -0.233792 trlgG= -0.292834 logG= -0.056745 TDE= -0.341877 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009044 tlogG= -0.047631 logG= -0.056675 Density= 0.212930 ETOT(band)= -0.234095 trlgG= -0.292909 logG= -0.056675 TDE= -0.341602 logGD-logG0= -0.009866 tlogG= -0.047900 logG= -0.057765 logGD-logG0= -0.009686 tlogG= -0.045589 logG= -0.055274 Density= 0.213981 ETOT(band)= -0.234235 trlgG= -0.294097 logG= -0.057765 TDE= -0.342221 logGD-logG0= -0.009747 tlogG= -0.047153 logG= -0.056901 Density= 0.213788 ETOT(band)= -0.233836 trlgG= -0.292626 logG= -0.056901 TDE= -0.341518 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214374 ETOT(band)= -0.232706 trlgG= -0.290194 logG= -0.055274 TDE= -0.341002 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.024058 logG= -0.029288 logGD-logG0= -0.010478 tlogG= -0.048014 logG= -0.058492 Density= 0.215127 ETOT(band)= -0.234159 trlgG= -0.294778 logG= -0.058492 TDE= -0.342742 logGD-logG0= -0.010245 tlogG= -0.047978 logG= -0.058224 Density= 0.107958 ETOT(band)= -0.116928 trlgG= -0.147491 logG= -0.029288 TDE= -0.171625 logGD-logG0= -0.009474 tlogG= -0.047930 logG= -0.057404 Density= 0.213281 ETOT(band)= -0.234302 trlgG= -0.293552 logG= -0.057404 TDE= -0.341690 logGD-logG0= -0.010397 tlogG= -0.048080 logG= -0.058477 Density= 0.215093 ETOT(band)= -0.234023 trlgG= -0.294335 logG= -0.058224 TDE= -0.342550 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215090 ETOT(band)= -0.234168 trlgG= -0.294751 logG= -0.058477 TDE= -0.342712 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009358 tlogG= -0.047447 logG= -0.056805 logGD-logG0= -0.010306 tlogG= -0.047786 logG= -0.058092 Density= 0.214673 ETOT(band)= -0.234111 trlgG= -0.294073 logG= -0.058092 TDE= -0.342212 Density= 0.214325 ETOT(band)= -0.233620 trlgG= -0.292962 logG= -0.056805 TDE= -0.342216 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010442 tlogG= -0.047746 logG= -0.058188 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214775 ETOT(band)= -0.234116 trlgG= -0.294242 logG= -0.058188 TDE= -0.342335 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008604 Density= 0.036200 ETOT(band)= -0.038133 trlgG= -0.047248 logG= -0.008604 TDE= -0.056558 logGD-logG0= -0.009791 tlogG= -0.045647 logG= -0.055438 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215166 ETOT(band)= -0.232427 trlgG= -0.290004 logG= -0.055438 TDE= -0.341040 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.048028 logG= -0.058017 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214548 ETOT(band)= -0.234140 trlgG= -0.294155 logG= -0.058017 TDE= -0.342307 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010107 tlogG= -0.047659 logG= -0.057766 Density= 0.213962 ETOT(band)= -0.234222 trlgG= -0.293849 logG= -0.057766 TDE= -0.341963 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 Density= 0.035846 ETOT(band)= -0.038583 trlgG= -0.047910 logG= -0.008983 TDE= -0.056666 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010591 tlogG= -0.048144 logG= -0.058736 Density= 0.215445 ETOT(band)= -0.234184 trlgG= -0.295215 logG= -0.058736 TDE= -0.343092 logGD-logG0= -0.010533 tlogG= -0.047528 logG= -0.058061 Density= 0.215722 ETOT(band)= -0.233612 trlgG= -0.294120 logG= -0.058061 TDE= -0.342809 logGD-logG0= -0.010334 tlogG= -0.047307 logG= -0.057641 Density= 0.214276 ETOT(band)= -0.234013 trlgG= -0.293325 logG= -0.057641 TDE= -0.341718 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047419 logG= -0.057921 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010458 tlogG= -0.047941 logG= -0.058399 Density= 0.215489 ETOT(band)= -0.233654 trlgG= -0.293881 logG= -0.057921 TDE= -0.342595 logGD-logG0= -0.010104 tlogG= -0.046410 logG= -0.056514 Density= 0.215233 ETOT(band)= -0.232988 trlgG= -0.291637 logG= -0.056514 TDE= -0.341631 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215920 ETOT(band)= -0.233728 trlgG= -0.294681 logG= -0.058399 TDE= -0.343130 logGD-logG0= -0.010513 tlogG= -0.047890 logG= -0.058403 logGD-logG0= -0.009714 tlogG= -0.047223 logG= -0.056937 Density= 0.214491 ETOT(band)= -0.233580 trlgG= -0.292735 logG= -0.056937 TDE= -0.341938 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002386 tlogG= -0.010425 logG= -0.012810 Density= 0.054384 ETOT(band)= -0.057081 trlgG= -0.070693 logG= -0.012810 TDE= -0.084795 Density= 0.215791 ETOT(band)= -0.233801 trlgG= -0.294684 logG= -0.058403 TDE= -0.343066 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010544 tlogG= -0.046877 logG= -0.057420 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215450 ETOT(band)= -0.233377 trlgG= -0.293080 logG= -0.057420 TDE= -0.342275 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027794 Density= 0.106739 ETOT(band)= -0.116647 trlgG= -0.145474 logG= -0.027794 TDE= -0.170499 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047151 logG= -0.057166 Density= 0.215169 ETOT(band)= -0.233390 trlgG= -0.292655 logG= -0.057166 TDE= -0.341966 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.021872 logG= -0.026829 Density= 0.108335 ETOT(band)= -0.115265 trlgG= -0.143504 logG= -0.026829 TDE= -0.170285 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004870 tlogG= -0.021562 logG= -0.026432 Density= 0.108526 ETOT(band)= -0.114898 trlgG= -0.142824 logG= -0.026432 TDE= -0.170096 logGD-logG0= -0.004789 tlogG= -0.020986 logG= -0.025775 Density= 0.108722 ETOT(band)= -0.114309 trlgG= -0.141666 logG= -0.025775 TDE= -0.169692 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021817 logG= -0.026852 Density= 0.107796 ETOT(band)= -0.115557 trlgG= -0.143568 logG= -0.026852 TDE= -0.170059 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021693 logG= -0.026669 Density= 0.107940 ETOT(band)= -0.115364 trlgG= -0.143258 logG= -0.026669 TDE= -0.170003 logGD-logG0= -0.009946 tlogG= -0.043387 logG= -0.053333 Density= 0.216297 ETOT(band)= -0.230514 trlgG= -0.286490 logG= -0.053333 TDE= -0.340192 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001421 tlogG= -0.007966 logG= -0.009386 Density= 0.070867 ETOT(band)= -0.077970 trlgG= -0.097462 logG= -0.009386 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080642 ETOT(band)= -0.087415 trlgG= -0.109617 logG= -0.006996 TDE= -0.042753 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080840 ETOT(band)= -0.087664 trlgG= -0.110369 logG= -0.007207 TDE= -0.042873 logGD-logG0= -0.004263 tlogG= -0.024131 logG= -0.028394 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.023881 logG= -0.028762 Density= 0.212173 ETOT(band)= -0.234438 trlgG= -0.293716 logG= -0.028394 TDE= -0.171007 Density= 0.213799 ETOT(band)= -0.234063 trlgG= -0.293026 logG= -0.028762 TDE= -0.170822 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 logGD-logG0= -0.005040 tlogG= -0.023957 logG= -0.028997 Density= 0.040853 ETOT(band)= -0.042681 trlgG= -0.052798 logG= -0.008442 TDE= -0.056471 Density= 0.214355 ETOT(band)= -0.234146 trlgG= -0.293932 logG= -0.028997 TDE= -0.171092 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022904 logG= -0.027835 Density= 0.214810 ETOT(band)= -0.232451 trlgG= -0.289706 logG= -0.027835 TDE= -0.170460 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080655 ETOT(band)= -0.087630 trlgG= -0.110172 logG= -0.007119 TDE= -0.042819 logGD-logG0= -0.005082 tlogG= -0.022437 logG= -0.027519 Density= 0.216392 ETOT(band)= -0.231329 trlgG= -0.288613 logG= -0.027519 TDE= -0.170595 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023836 logG= -0.028633 Density= 0.213583 ETOT(band)= -0.234203 trlgG= -0.293764 logG= -0.028633 TDE= -0.171078 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007588 logG= -0.009148 Density= 0.071501 ETOT(band)= -0.077365 trlgG= -0.096161 logG= -0.009148 TDE= -0.056747 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001178 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067560 trlgG= -0.084213 logG= -0.006348 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004614 tlogG= -0.023370 logG= -0.027984 Density= 0.214195 ETOT(band)= -0.233426 trlgG= -0.292357 logG= -0.027984 TDE= -0.170937 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004566 tlogG= -0.023890 logG= -0.028456 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.213289 ETOT(band)= -0.233919 trlgG= -0.292517 logG= -0.028456 TDE= -0.170812 Density= 0.080844 ETOT(band)= -0.086986 trlgG= -0.108613 logG= -0.006847 TDE= -0.042677 logGD-logG0= -0.001267 tlogG= -0.005983 logG= -0.007250 Density= 0.081070 ETOT(band)= -0.087566 trlgG= -0.110421 logG= -0.007250 TDE= -0.042903 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023193 logG= -0.028326 logGD-logG0= -0.005186 tlogG= -0.024001 logG= -0.029187 Density= 0.215709 ETOT(band)= -0.233901 trlgG= -0.294839 logG= -0.029187 TDE= -0.171607 Density= 0.214883 ETOT(band)= -0.233004 trlgG= -0.291237 logG= -0.028326 TDE= -0.170647 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023799 logG= -0.029019 Density= 0.215355 ETOT(band)= -0.233809 trlgG= -0.294185 logG= -0.029019 TDE= -0.171454 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023481 logG= -0.028696 Density= 0.215234 ETOT(band)= -0.233375 trlgG= -0.292922 logG= -0.028696 TDE= -0.171197 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023999 logG= -0.029149 Density= 0.216381 ETOT(band)= -0.233380 trlgG= -0.294359 logG= -0.029149 TDE= -0.171624 logGD-logG0= -0.005399 tlogG= -0.023353 logG= -0.028752 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215125 ETOT(band)= -0.233401 trlgG= -0.292731 logG= -0.028752 TDE= -0.170992 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.024005 logG= -0.028740 Density= 0.321589 ETOT(band)= -0.351185 trlgG= -0.441368 logG= -0.028740 TDE= -0.171254 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023367 logG= -0.028013 Density= 0.321656 ETOT(band)= -0.350138 trlgG= -0.438791 logG= -0.028013 TDE= -0.170929 logGD-logG0= -0.005280 tlogG= -0.024122 logG= -0.029401 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215742 ETOT(band)= -0.234057 trlgG= -0.295255 logG= -0.029401 TDE= -0.171640 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023586 logG= -0.028037 Density= 0.212622 ETOT(band)= -0.234055 trlgG= -0.292766 logG= -0.028037 TDE= -0.170724 logGD-logG0= -0.005170 tlogG= -0.023414 logG= -0.028584 Density= 0.216221 ETOT(band)= -0.232700 trlgG= -0.292215 logG= -0.028584 TDE= -0.171217 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.022291 logG= -0.027202 logGD-logG0= -0.005212 tlogG= -0.024083 logG= -0.029295 logGD-logG0= -0.005006 tlogG= -0.024162 logG= -0.029168 Density= 0.323094 ETOT(band)= -0.351263 trlgG= -0.442692 logG= -0.029295 TDE= -0.171453 Density= 0.214271 ETOT(band)= -0.232495 trlgG= -0.289463 logG= -0.027202 TDE= -0.170196 logGD-logG0= -0.010329 tlogG= -0.047785 logG= -0.058114 logGD-logG0= -0.004980 tlogG= -0.024156 logG= -0.029137 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322469 ETOT(band)= -0.351293 trlgG= -0.442043 logG= -0.029168 TDE= -0.171260 Density= 0.214759 ETOT(band)= -0.234216 trlgG= -0.294546 logG= -0.029137 TDE= -0.171265 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023956 logG= -0.029099 Density= 0.216414 ETOT(band)= -0.233276 trlgG= -0.294126 logG= -0.029099 TDE= -0.171597 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324388 ETOT(band)= -0.349977 trlgG= -0.441037 logG= -0.058114 TDE= -0.343088 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010376 tlogG= -0.047234 logG= -0.057610 logGD-logG0= -0.005163 tlogG= -0.023761 logG= -0.028924 logGD-logG0= -0.004540 tlogG= -0.023972 logG= -0.028513 Density= 0.212814 ETOT(band)= -0.234331 trlgG= -0.293512 logG= -0.028513 TDE= -0.170860 Density= 0.216303 ETOT(band)= -0.233079 trlgG= -0.293422 logG= -0.028924 TDE= -0.171456 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324168 ETOT(band)= -0.349611 trlgG= -0.439690 logG= -0.057610 TDE= -0.342696 logGD-logG0= -0.010103 tlogG= -0.045626 logG= -0.055729 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324076 ETOT(band)= -0.348013 trlgG= -0.434985 logG= -0.055729 TDE= -0.341513 logGD-logG0= -0.005038 tlogG= -0.023844 logG= -0.028882 logGD-logG0= -0.005143 tlogG= -0.022967 logG= -0.028109 Density= 0.215517 ETOT(band)= -0.233804 trlgG= -0.294289 logG= -0.028882 TDE= -0.171142 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022473 logG= -0.027352 Density= 0.215036 ETOT(band)= -0.231715 trlgG= -0.288061 logG= -0.027352 TDE= -0.170209 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006683 Density= 0.081208 ETOT(band)= -0.086371 trlgG= -0.107373 logG= -0.006683 TDE= -0.042579 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023244 logG= -0.027989 Density= 0.216247 ETOT(band)= -0.232127 trlgG= -0.290599 logG= -0.028109 TDE= -0.170929 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213507 ETOT(band)= -0.233671 trlgG= -0.292247 logG= -0.027989 TDE= -0.170773 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.048039 logG= -0.058654 logGD-logG0= -0.005328 tlogG= -0.023898 logG= -0.029225 Density= 0.215668 ETOT(band)= -0.233804 trlgG= -0.294566 logG= -0.029225 TDE= -0.171463 logGD-logG0= -0.004992 tlogG= -0.023243 logG= -0.028235 Density= 0.321725 ETOT(band)= -0.350643 trlgG= -0.439641 logG= -0.028235 TDE= -0.170883 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323280 ETOT(band)= -0.351054 trlgG= -0.442388 logG= -0.058654 TDE= -0.343082 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.024006 logG= -0.028708 Density= 0.214134 ETOT(band)= -0.234139 trlgG= -0.294150 logG= -0.028708 TDE= -0.171259 logGD-logG0= -0.010374 tlogG= -0.046412 logG= -0.056787 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324030 ETOT(band)= -0.348956 trlgG= -0.437605 logG= -0.056787 TDE= -0.342138 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 Density= 0.081568 ETOT(band)= -0.085702 trlgG= -0.106211 logG= -0.006502 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009608 tlogG= -0.046603 logG= -0.056211 Density= 0.322731 ETOT(band)= -0.349087 trlgG= -0.436426 logG= -0.056211 TDE= -0.341667 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072237 ETOT(band)= -0.076494 trlgG= -0.094844 logG= -0.008797 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005312 tlogG= -0.023957 logG= -0.029270 Density= 0.323695 ETOT(band)= -0.350724 trlgG= -0.442130 logG= -0.029270 TDE= -0.171511 logGD-logG0= -0.008883 tlogG= -0.048095 logG= -0.056979 Density= 0.425543 ETOT(band)= -0.468462 trlgG= -0.586513 logG= -0.056979 TDE= -0.341837 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047839 logG= -0.057404 logGD-logG0= -0.005376 tlogG= -0.023684 logG= -0.029060 Density= 0.428063 ETOT(band)= -0.468262 trlgG= -0.587887 logG= -0.057404 TDE= -0.342324 Density= 0.215428 ETOT(band)= -0.233657 trlgG= -0.293869 logG= -0.029060 TDE= -0.171285 logGD-logG0= -0.004396 tlogG= -0.023740 logG= -0.028136 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213092 ETOT(band)= -0.233645 trlgG= -0.291789 logG= -0.028136 TDE= -0.170809 logGD-logG0= -0.010202 tlogG= -0.048220 logG= -0.058422 Density= 0.430075 ETOT(band)= -0.468367 trlgG= -0.589420 logG= -0.058422 TDE= -0.342586 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.047956 logG= -0.058193 Density= 0.429237 ETOT(band)= -0.468329 trlgG= -0.588300 logG= -0.058193 TDE= -0.342211 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009428 tlogG= -0.046606 logG= -0.056034 logGD-logG0= -0.009373 tlogG= -0.046712 logG= -0.056085 Density= 0.428119 ETOT(band)= -0.466960 trlgG= -0.584493 logG= -0.056034 TDE= -0.341692 Density= 0.427911 ETOT(band)= -0.466240 trlgG= -0.581887 logG= -0.056085 TDE= -0.341277 logGD-logG0= -0.010413 tlogG= -0.048069 logG= -0.058482 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430182 ETOT(band)= -0.468197 trlgG= -0.589091 logG= -0.058482 TDE= -0.342712 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047727 logG= -0.058308 Density= 0.430792 ETOT(band)= -0.467617 trlgG= -0.588374 logG= -0.058308 TDE= -0.342728 logGD-logG0= -0.010068 tlogG= -0.048148 logG= -0.058216 logGD-logG0= -0.010180 tlogG= -0.047667 logG= -0.057847 Density= 0.428318 ETOT(band)= -0.468243 trlgG= -0.587217 logG= -0.057847 TDE= -0.341965 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429334 ETOT(band)= -0.468367 trlgG= -0.588653 logG= -0.058216 TDE= -0.342370 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009741 tlogG= -0.047852 logG= -0.057593 Density= 0.429168 ETOT(band)= -0.468032 trlgG= -0.587854 logG= -0.057593 TDE= -0.342310 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021877 logG= -0.026920 Density= 0.216649 ETOT(band)= -0.230330 trlgG= -0.286493 logG= -0.026920 TDE= -0.170254 logGD-logG0= -0.010682 tlogG= -0.047692 logG= -0.058374 logGD-logG0= -0.009529 tlogG= -0.047768 logG= -0.057297 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431135 ETOT(band)= -0.467559 trlgG= -0.588732 logG= -0.058374 TDE= -0.342835 Density= 0.427195 ETOT(band)= -0.468029 trlgG= -0.585876 logG= -0.057297 TDE= -0.341557 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046399 logG= -0.056256 logGD-logG0= -0.009575 tlogG= -0.047649 logG= -0.057224 Density= 0.426689 ETOT(band)= -0.468482 trlgG= -0.587027 logG= -0.057224 TDE= -0.341855 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429560 ETOT(band)= -0.465661 trlgG= -0.581554 logG= -0.056256 TDE= -0.341388 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.047558 logG= -0.057480 Density= 0.428635 ETOT(band)= -0.467587 trlgG= -0.586255 logG= -0.057480 TDE= -0.342009 logGD-logG0= -0.010606 tlogG= -0.048018 logG= -0.058624 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431377 ETOT(band)= -0.467840 trlgG= -0.589725 logG= -0.058624 TDE= -0.343100 logGD-logG0= -0.010241 tlogG= -0.046929 logG= -0.057170 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429913 ETOT(band)= -0.466573 trlgG= -0.584252 logG= -0.057170 TDE= -0.341678 logGD-logG0= -0.004954 tlogG= -0.021348 logG= -0.026302 Density= 0.217044 ETOT(band)= -0.229221 trlgG= -0.284286 logG= -0.026302 TDE= -0.169922 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027123 Density= 0.322897 ETOT(band)= -0.348056 trlgG= -0.434036 logG= -0.027123 TDE= -0.170276 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010640 tlogG= -0.047266 logG= -0.057906 Density= 0.430519 ETOT(band)= -0.467195 trlgG= -0.586902 logG= -0.057906 TDE= -0.342344 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.021298 logG= -0.026169 Density= 0.162667 ETOT(band)= -0.173018 trlgG= -0.215922 logG= -0.026169 TDE= -0.169908 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010165 tlogG= -0.047568 logG= -0.057734 Density= 0.430045 ETOT(band)= -0.467218 trlgG= -0.586182 logG= -0.057734 TDE= -0.342124 logGD-logG0= -0.009893 tlogG= -0.044619 logG= -0.054512 Density= 0.324318 ETOT(band)= -0.346744 trlgG= -0.431972 logG= -0.054512 TDE= -0.340834 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.021203 logG= -0.026115 Density= 0.216366 ETOT(band)= -0.230085 trlgG= -0.285547 logG= -0.026115 TDE= -0.169828 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022326 logG= -0.027083 Density= 0.215043 ETOT(band)= -0.232004 trlgG= -0.289106 logG= -0.027083 TDE= -0.170282 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.044623 logG= -0.054364 Density= 0.431643 ETOT(band)= -0.462179 trlgG= -0.574762 logG= -0.054364 TDE= -0.340472 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.889112027827 eV TrLogG= -407.304981499384 eV Ratio to renormalize= 0.999952586862 rho-rho_expected= 0.001043138493 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 70) Finished k-point number 142 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964694412453132 0.940501770624872 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038935 trlgG= -0.048610 logG= -0.009286 TDE= -0.056888 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.035313 ETOT(band)= -0.039087 trlgG= -0.048976 logG= -0.009439 TDE= -0.057012 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.023975 logG= -0.028291 Density= 0.106170 ETOT(band)= -0.117152 trlgG= -0.146686 logG= -0.028291 TDE= -0.170933 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023206 logG= -0.027795 Density= 0.106740 ETOT(band)= -0.116649 trlgG= -0.145477 logG= -0.027795 TDE= -0.170502 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022408 logG= -0.027387 Density= 0.107642 ETOT(band)= -0.115987 trlgG= -0.144447 logG= -0.027387 TDE= -0.170327 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022990 logG= -0.027666 Density= 0.106876 ETOT(band)= -0.116518 trlgG= -0.145213 logG= -0.027666 TDE= -0.170435 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.021563 logG= -0.026432 Density= 0.108526 ETOT(band)= -0.114900 trlgG= -0.142826 logG= -0.026432 TDE= -0.170098 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021694 logG= -0.026670 Density= 0.107941 ETOT(band)= -0.115366 trlgG= -0.143261 logG= -0.026670 TDE= -0.170006 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053588 ETOT(band)= -0.058558 trlgG= -0.073630 logG= -0.014486 TDE= -0.085662 Density= 0.053768 ETOT(band)= -0.058545 trlgG= -0.073687 logG= -0.014618 TDE= -0.085676 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002309 tlogG= -0.011884 logG= -0.014193 logGD-logG0= -0.002316 tlogG= -0.011448 logG= -0.013764 Density= 0.053740 ETOT(band)= -0.058083 trlgG= -0.072503 logG= -0.013764 TDE= -0.085333 Density= 0.053565 ETOT(band)= -0.058414 trlgG= -0.073268 logG= -0.014193 TDE= -0.085582 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011984 logG= -0.014526 Density= 0.054144 ETOT(band)= -0.058306 trlgG= -0.073548 logG= -0.014526 TDE= -0.085816 logGD-logG0= -0.005112 tlogG= -0.023430 logG= -0.028543 logGD-logG0= -0.004289 tlogG= -0.024052 logG= -0.028341 Density= 0.108143 ETOT(band)= -0.116400 trlgG= -0.146288 logG= -0.028543 TDE= -0.171260 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106118 ETOT(band)= -0.117196 trlgG= -0.146799 logG= -0.028341 TDE= -0.170971 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.011988 logG= -0.014599 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053989 ETOT(band)= -0.058427 trlgG= -0.073670 logG= -0.014599 TDE= -0.085788 logGD-logG0= -0.005247 tlogG= -0.024071 logG= -0.029318 logGD-logG0= -0.005003 tlogG= -0.022456 logG= -0.027459 Density= 0.107653 ETOT(band)= -0.117091 trlgG= -0.147520 logG= -0.029318 TDE= -0.171474 Density= 0.108214 ETOT(band)= -0.115757 trlgG= -0.144565 logG= -0.027459 TDE= -0.170656 logGD-logG0= -0.005117 tlogG= -0.023764 logG= -0.028881 Density= 0.108190 ETOT(band)= -0.116562 trlgG= -0.146823 logG= -0.028881 TDE= -0.171481 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.023950 logG= -0.029054 logGD-logG0= -0.005071 tlogG= -0.022982 logG= -0.028053 Density= 0.108242 ETOT(band)= -0.116636 trlgG= -0.147102 logG= -0.029054 TDE= -0.171611 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108146 ETOT(band)= -0.116130 trlgG= -0.145513 logG= -0.028053 TDE= -0.170976 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004513 tlogG= -0.024046 logG= -0.028559 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106391 ETOT(band)= -0.117182 trlgG= -0.146806 logG= -0.028559 TDE= -0.170895 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022849 logG= -0.027680 Density= 0.107757 ETOT(band)= -0.116116 trlgG= -0.144931 logG= -0.027680 TDE= -0.170574 logGD-logG0= -0.005255 tlogG= -0.024088 logG= -0.029343 logGD-logG0= -0.005094 tlogG= -0.023605 logG= -0.028699 Density= 0.107899 ETOT(band)= -0.116998 trlgG= -0.147583 logG= -0.029343 TDE= -0.171634 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108216 ETOT(band)= -0.116446 trlgG= -0.146532 logG= -0.028699 TDE= -0.171384 logGD-logG0= -0.005288 tlogG= -0.024134 logG= -0.029422 logGD-logG0= -0.005091 tlogG= -0.023872 logG= -0.028962 Density= 0.107822 ETOT(band)= -0.117086 trlgG= -0.147708 logG= -0.029422 TDE= -0.171642 Density= 0.108262 ETOT(band)= -0.116572 trlgG= -0.146953 logG= -0.028962 TDE= -0.171564 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.023215 logG= -0.028279 logGD-logG0= -0.005254 tlogG= -0.023684 logG= -0.028938 Density= 0.107239 ETOT(band)= -0.117027 trlgG= -0.146853 logG= -0.028938 TDE= -0.170982 logGD-logG0= -0.004961 tlogG= -0.024093 logG= -0.029054 logGD-logG0= -0.004966 tlogG= -0.023643 logG= -0.028609 Density= 0.108206 ETOT(band)= -0.116223 trlgG= -0.145869 logG= -0.028279 TDE= -0.171136 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107388 ETOT(band)= -0.117058 trlgG= -0.147142 logG= -0.029054 TDE= -0.171229 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106984 ETOT(band)= -0.116957 trlgG= -0.146303 logG= -0.028609 TDE= -0.170635 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023901 logG= -0.029181 Density= 0.107763 ETOT(band)= -0.116957 trlgG= -0.147304 logG= -0.029181 TDE= -0.171449 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023688 logG= -0.028486 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023669 logG= -0.028316 logGD-logG0= -0.004999 tlogG= -0.022733 logG= -0.027732 Density= 0.108260 ETOT(band)= -0.115894 trlgG= -0.145001 logG= -0.027732 TDE= -0.170842 logGD-logG0= -0.004921 tlogG= -0.022168 logG= -0.027089 Density= 0.108371 ETOT(band)= -0.115451 trlgG= -0.143957 logG= -0.027089 TDE= -0.170495 Density= 0.107387 ETOT(band)= -0.116747 trlgG= -0.146401 logG= -0.028486 TDE= -0.171055 logGD-logG0= -0.004872 tlogG= -0.023892 logG= -0.028765 Density= 0.106762 ETOT(band)= -0.117141 trlgG= -0.146917 logG= -0.028765 TDE= -0.170983 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023687 logG= -0.028363 Density= 0.106981 ETOT(band)= -0.116868 trlgG= -0.146494 logG= -0.028363 TDE= -0.171071 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022874 logG= -0.027953 Density= 0.107625 ETOT(band)= -0.116320 trlgG= -0.145344 logG= -0.027953 TDE= -0.170648 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106601 ETOT(band)= -0.116987 trlgG= -0.146390 logG= -0.028316 TDE= -0.170826 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.023500 logG= -0.028202 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106778 ETOT(band)= -0.116840 trlgG= -0.145960 logG= -0.028202 TDE= -0.170597 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.024070 logG= -0.028918 Density= 0.107063 ETOT(band)= -0.117121 trlgG= -0.147170 logG= -0.028918 TDE= -0.171232 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023195 logG= -0.028465 logGD-logG0= -0.005197 tlogG= -0.023967 logG= -0.029164 Density= 0.107693 ETOT(band)= -0.116568 trlgG= -0.146153 logG= -0.028465 TDE= -0.170979 logGD-logG0= -0.005241 tlogG= -0.023871 logG= -0.029112 Density= 0.107927 ETOT(band)= -0.116824 trlgG= -0.147197 logG= -0.029112 TDE= -0.171493 Density= 0.107453 ETOT(band)= -0.117078 trlgG= -0.147247 logG= -0.029164 TDE= -0.171256 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.022852 logG= -0.027560 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107303 ETOT(band)= -0.116262 trlgG= -0.145060 logG= -0.027560 TDE= -0.170599 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009405 tlogG= -0.045760 logG= -0.055166 Density= 0.215034 ETOT(band)= -0.232356 trlgG= -0.290019 logG= -0.055166 TDE= -0.341263 logGD-logG0= -0.005279 tlogG= -0.023580 logG= -0.028859 Density= 0.107811 ETOT(band)= -0.116729 trlgG= -0.146782 logG= -0.028859 TDE= -0.171274 logGD-logG0= -0.009719 tlogG= -0.048245 logG= -0.057964 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214418 ETOT(band)= -0.234198 trlgG= -0.294413 logG= -0.057964 TDE= -0.342554 logGD-logG0= -0.009685 tlogG= -0.045591 logG= -0.055276 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214375 ETOT(band)= -0.232710 trlgG= -0.290199 logG= -0.055276 TDE= -0.341007 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009585 tlogG= -0.047161 logG= -0.056746 Density= 0.213778 ETOT(band)= -0.233796 trlgG= -0.292840 logG= -0.056746 TDE= -0.341882 logGD-logG0= -0.010441 tlogG= -0.047748 logG= -0.058189 Density= 0.214776 ETOT(band)= -0.234120 trlgG= -0.294248 logG= -0.058189 TDE= -0.342341 logGD-logG0= -0.009044 tlogG= -0.047632 logG= -0.056676 Density= 0.212931 ETOT(band)= -0.234099 trlgG= -0.292915 logG= -0.056676 TDE= -0.341608 logGD-logG0= -0.005230 tlogG= -0.024059 logG= -0.029289 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.047155 logG= -0.056902 Density= 0.213789 ETOT(band)= -0.233840 trlgG= -0.292632 logG= -0.056902 TDE= -0.341523 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107959 ETOT(band)= -0.116930 trlgG= -0.147494 logG= -0.029289 TDE= -0.171628 logGD-logG0= -0.009358 tlogG= -0.047448 logG= -0.056806 Density= 0.214326 ETOT(band)= -0.233624 trlgG= -0.292968 logG= -0.056806 TDE= -0.342221 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.048082 logG= -0.058478 logGD-logG0= -0.009474 tlogG= -0.047931 logG= -0.057405 Density= 0.215092 ETOT(band)= -0.234172 trlgG= -0.294757 logG= -0.058478 TDE= -0.342717 Density= 0.213282 ETOT(band)= -0.234306 trlgG= -0.293558 logG= -0.057405 TDE= -0.341696 logGD-logG0= -0.010245 tlogG= -0.047980 logG= -0.058225 Density= 0.215094 ETOT(band)= -0.234027 trlgG= -0.294341 logG= -0.058225 TDE= -0.342555 logGD-logG0= -0.009790 tlogG= -0.045649 logG= -0.055439 Density= 0.215167 ETOT(band)= -0.232431 trlgG= -0.290009 logG= -0.055439 TDE= -0.341045 logGD-logG0= -0.010478 tlogG= -0.048016 logG= -0.058493 Density= 0.215129 ETOT(band)= -0.234163 trlgG= -0.294784 logG= -0.058493 TDE= -0.342747 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.048030 logG= -0.058019 Density= 0.214549 ETOT(band)= -0.234144 trlgG= -0.294161 logG= -0.058019 TDE= -0.342312 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009865 tlogG= -0.047902 logG= -0.057767 logGD-logG0= -0.010306 tlogG= -0.047788 logG= -0.058093 Density= 0.214674 ETOT(band)= -0.234115 trlgG= -0.294079 logG= -0.058093 TDE= -0.342217 Density= 0.213983 ETOT(band)= -0.234239 trlgG= -0.294103 logG= -0.057767 TDE= -0.342226 logGD-logG0= -0.010543 tlogG= -0.046878 logG= -0.057421 Density= 0.215451 ETOT(band)= -0.233381 trlgG= -0.293086 logG= -0.057421 TDE= -0.342280 logGD-logG0= -0.010106 tlogG= -0.047661 logG= -0.057767 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213963 ETOT(band)= -0.234226 trlgG= -0.293855 logG= -0.057767 TDE= -0.341968 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008604 logGD-logG0= -0.010532 tlogG= -0.047530 logG= -0.058062 Density= 0.036200 ETOT(band)= -0.038134 trlgG= -0.047248 logG= -0.008604 TDE= -0.056558 Density= 0.215724 ETOT(band)= -0.233616 trlgG= -0.294126 logG= -0.058062 TDE= -0.342814 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007305 logG= -0.008983 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002386 tlogG= -0.010425 logG= -0.012811 Density= 0.054385 ETOT(band)= -0.057082 trlgG= -0.070694 logG= -0.012811 TDE= -0.084796 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035846 ETOT(band)= -0.038584 trlgG= -0.047911 logG= -0.008983 TDE= -0.056666 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010334 tlogG= -0.047309 logG= -0.057643 logGD-logG0= -0.010591 tlogG= -0.048146 logG= -0.058737 logGD-logG0= -0.010501 tlogG= -0.047421 logG= -0.057922 logGD-logG0= -0.010457 tlogG= -0.047943 logG= -0.058400 Density= 0.215921 ETOT(band)= -0.233732 trlgG= -0.294687 logG= -0.058400 TDE= -0.343135 Density= 0.215447 ETOT(band)= -0.234188 trlgG= -0.295221 logG= -0.058737 TDE= -0.343098 Density= 0.214277 ETOT(band)= -0.234017 trlgG= -0.293331 logG= -0.057643 TDE= -0.341723 Density= 0.215490 ETOT(band)= -0.233658 trlgG= -0.293887 logG= -0.057922 TDE= -0.342600 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010104 tlogG= -0.046412 logG= -0.056516 Density= 0.215235 ETOT(band)= -0.232992 trlgG= -0.291643 logG= -0.056516 TDE= -0.341636 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010512 tlogG= -0.047892 logG= -0.058404 Density= 0.215792 ETOT(band)= -0.233805 trlgG= -0.294690 logG= -0.058404 TDE= -0.343071 logGD-logG0= -0.009713 tlogG= -0.047225 logG= -0.056938 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010841 logG= -0.013286 Density= 0.214493 ETOT(band)= -0.233584 trlgG= -0.292740 logG= -0.056938 TDE= -0.341944 Density= 0.054068 ETOT(band)= -0.057601 trlgG= -0.071543 logG= -0.013286 TDE= -0.085012 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010015 tlogG= -0.047152 logG= -0.057167 Density= 0.215171 ETOT(band)= -0.233394 trlgG= -0.292661 logG= -0.057167 TDE= -0.341971 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.021873 logG= -0.026829 Density= 0.108335 ETOT(band)= -0.115267 trlgG= -0.143507 logG= -0.026829 TDE= -0.170288 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 Density= 0.070868 ETOT(band)= -0.077972 trlgG= -0.097464 logG= -0.009386 TDE= -0.056973 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004789 tlogG= -0.020987 logG= -0.025776 Density= 0.108723 ETOT(band)= -0.114311 trlgG= -0.141668 logG= -0.025776 TDE= -0.169694 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021817 logG= -0.026853 Density= 0.107797 ETOT(band)= -0.115559 trlgG= -0.143571 logG= -0.026853 TDE= -0.170062 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004451 tlogG= -0.023587 logG= -0.028038 Density= 0.212623 ETOT(band)= -0.234059 trlgG= -0.292772 logG= -0.028038 TDE= -0.170726 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004396 tlogG= -0.023741 logG= -0.028136 Density= 0.213093 ETOT(band)= -0.233649 trlgG= -0.291795 logG= -0.028136 TDE= -0.170811 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009946 tlogG= -0.043388 logG= -0.053334 Density= 0.216299 ETOT(band)= -0.230518 trlgG= -0.286496 logG= -0.053334 TDE= -0.340197 logGD-logG0= -0.004930 tlogG= -0.022905 logG= -0.027835 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214812 ETOT(band)= -0.232455 trlgG= -0.289712 logG= -0.027835 TDE= -0.170463 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005171 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067562 trlgG= -0.084215 logG= -0.006348 TDE= -0.042367 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.022292 logG= -0.027202 Density= 0.214272 ETOT(band)= -0.232499 trlgG= -0.289469 logG= -0.027202 TDE= -0.170198 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005043 tlogG= -0.021878 logG= -0.026921 Density= 0.216651 ETOT(band)= -0.230334 trlgG= -0.286498 logG= -0.026921 TDE= -0.170257 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021204 logG= -0.026116 Density= 0.216367 ETOT(band)= -0.230089 trlgG= -0.285552 logG= -0.026116 TDE= -0.169830 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005215 tlogG= -0.023482 logG= -0.028696 logGD-logG0= -0.005186 tlogG= -0.024002 logG= -0.029188 Density= 0.215710 ETOT(band)= -0.233905 trlgG= -0.294845 logG= -0.029188 TDE= -0.171609 Density= 0.215235 ETOT(band)= -0.233379 trlgG= -0.292928 logG= -0.028696 TDE= -0.171200 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.024000 logG= -0.029149 Density= 0.216382 ETOT(band)= -0.233384 trlgG= -0.294364 logG= -0.029149 TDE= -0.171627 logGD-logG0= -0.004263 tlogG= -0.024132 logG= -0.028395 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212174 ETOT(band)= -0.234442 trlgG= -0.293722 logG= -0.028395 TDE= -0.171010 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004566 tlogG= -0.023890 logG= -0.028456 Density= 0.213290 ETOT(band)= -0.233923 trlgG= -0.292523 logG= -0.028456 TDE= -0.170814 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 Density= 0.040853 ETOT(band)= -0.042681 trlgG= -0.052799 logG= -0.008442 TDE= -0.056472 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080656 ETOT(band)= -0.087632 trlgG= -0.110174 logG= -0.007119 TDE= -0.042820 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080840 ETOT(band)= -0.087666 trlgG= -0.110371 logG= -0.007207 TDE= -0.042874 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 Density= 0.071501 ETOT(band)= -0.077367 trlgG= -0.096163 logG= -0.009148 TDE= -0.056748 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023800 logG= -0.029019 Density= 0.215356 ETOT(band)= -0.233813 trlgG= -0.294190 logG= -0.029019 TDE= -0.171457 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009607 tlogG= -0.046605 logG= -0.056212 Density= 0.322732 ETOT(band)= -0.349093 trlgG= -0.436435 logG= -0.056212 TDE= -0.341672 logGD-logG0= -0.004992 tlogG= -0.023244 logG= -0.028236 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321727 ETOT(band)= -0.350649 trlgG= -0.439650 logG= -0.028236 TDE= -0.170886 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007250 Density= 0.081070 ETOT(band)= -0.087568 trlgG= -0.110423 logG= -0.007250 TDE= -0.042904 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005748 logG= -0.006996 Density= 0.080643 ETOT(band)= -0.087417 trlgG= -0.109619 logG= -0.006996 TDE= -0.042754 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005307 logG= -0.006502 Density= 0.081568 ETOT(band)= -0.085703 trlgG= -0.106213 logG= -0.006502 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080845 ETOT(band)= -0.086987 trlgG= -0.108616 logG= -0.006847 TDE= -0.042678 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.023845 logG= -0.028882 Density= 0.215519 ETOT(band)= -0.233808 trlgG= -0.294295 logG= -0.028882 TDE= -0.171145 logGD-logG0= -0.010615 tlogG= -0.048041 logG= -0.058656 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323282 ETOT(band)= -0.351059 trlgG= -0.442397 logG= -0.058656 TDE= -0.343087 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072237 ETOT(band)= -0.076496 trlgG= -0.094846 logG= -0.008797 TDE= -0.056633 logGD-logG0= -0.010412 tlogG= -0.048071 logG= -0.058483 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430185 ETOT(band)= -0.468205 trlgG= -0.589103 logG= -0.058483 TDE= -0.342717 logGD-logG0= -0.009741 tlogG= -0.047854 logG= -0.057595 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429171 ETOT(band)= -0.468040 trlgG= -0.587865 logG= -0.057595 TDE= -0.342315 logGD-logG0= -0.010237 tlogG= -0.047957 logG= -0.058194 Density= 0.429240 ETOT(band)= -0.468337 trlgG= -0.588312 logG= -0.058194 TDE= -0.342216 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.022474 logG= -0.027352 Density= 0.215038 ETOT(band)= -0.231719 trlgG= -0.288067 logG= -0.027352 TDE= -0.170211 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010201 tlogG= -0.048222 logG= -0.058423 Density= 0.430078 ETOT(band)= -0.468375 trlgG= -0.589432 logG= -0.058423 TDE= -0.342591 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047729 logG= -0.058309 Density= 0.430795 ETOT(band)= -0.467625 trlgG= -0.588386 logG= -0.058309 TDE= -0.342733 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.047570 logG= -0.057735 Density= 0.430048 ETOT(band)= -0.467226 trlgG= -0.586193 logG= -0.057735 TDE= -0.342129 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.024123 logG= -0.029402 Density= 0.215743 ETOT(band)= -0.234061 trlgG= -0.295260 logG= -0.029402 TDE= -0.171642 logGD-logG0= -0.004953 tlogG= -0.021349 logG= -0.026302 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217045 ETOT(band)= -0.229225 trlgG= -0.284292 logG= -0.026302 TDE= -0.169924 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004646 tlogG= -0.023368 logG= -0.028013 Density= 0.321658 ETOT(band)= -0.350144 trlgG= -0.438800 logG= -0.028013 TDE= -0.170931 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024006 logG= -0.028741 Density= 0.321591 ETOT(band)= -0.351191 trlgG= -0.441376 logG= -0.028741 TDE= -0.171257 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023957 logG= -0.028997 logGD-logG0= -0.010605 tlogG= -0.048020 logG= -0.058625 Density= 0.214356 ETOT(band)= -0.234150 trlgG= -0.293938 logG= -0.028997 TDE= -0.171095 Density= 0.431380 ETOT(band)= -0.467848 trlgG= -0.589736 logG= -0.058625 TDE= -0.343105 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.047560 logG= -0.057482 Density= 0.428638 ETOT(band)= -0.467595 trlgG= -0.586266 logG= -0.057482 TDE= -0.342014 logGD-logG0= -0.005006 tlogG= -0.024163 logG= -0.029169 logGD-logG0= -0.004540 tlogG= -0.023973 logG= -0.028513 Density= 0.212815 ETOT(band)= -0.234335 trlgG= -0.293518 logG= -0.028513 TDE= -0.170863 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322471 ETOT(band)= -0.351299 trlgG= -0.442052 logG= -0.029169 TDE= -0.171263 logGD-logG0= -0.010328 tlogG= -0.047787 logG= -0.058115 Density= 0.324390 ETOT(band)= -0.349982 trlgG= -0.441046 logG= -0.058115 TDE= -0.343093 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023957 logG= -0.029099 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216416 ETOT(band)= -0.233280 trlgG= -0.294132 logG= -0.029099 TDE= -0.171600 logGD-logG0= -0.005170 tlogG= -0.023415 logG= -0.028585 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216223 ETOT(band)= -0.232704 trlgG= -0.292221 logG= -0.028585 TDE= -0.171220 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023762 logG= -0.028925 Density= 0.216304 ETOT(band)= -0.233083 trlgG= -0.293428 logG= -0.028925 TDE= -0.171459 logGD-logG0= -0.005212 tlogG= -0.024084 logG= -0.029295 Density= 0.323096 ETOT(band)= -0.351268 trlgG= -0.442701 logG= -0.029295 TDE= -0.171456 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010375 tlogG= -0.047236 logG= -0.057611 logGD-logG0= -0.010102 tlogG= -0.045628 logG= -0.055730 Density= 0.324078 ETOT(band)= -0.348019 trlgG= -0.434993 logG= -0.055730 TDE= -0.341518 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.023882 logG= -0.028762 Density= 0.213800 ETOT(band)= -0.234067 trlgG= -0.293032 logG= -0.028762 TDE= -0.170825 Density= 0.324170 ETOT(band)= -0.349616 trlgG= -0.439698 logG= -0.057611 TDE= -0.342701 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023899 logG= -0.029226 Density= 0.215669 ETOT(band)= -0.233808 trlgG= -0.294572 logG= -0.029226 TDE= -0.171466 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.022968 logG= -0.028110 Density= 0.216249 ETOT(band)= -0.232131 trlgG= -0.290605 logG= -0.028110 TDE= -0.170932 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023837 logG= -0.028634 Density= 0.213584 ETOT(band)= -0.234207 trlgG= -0.293770 logG= -0.028634 TDE= -0.171080 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010373 tlogG= -0.046414 logG= -0.056788 logGD-logG0= -0.004745 tlogG= -0.023245 logG= -0.027990 Density= 0.324032 ETOT(band)= -0.348962 trlgG= -0.437613 logG= -0.056788 TDE= -0.342143 logGD-logG0= -0.004702 tlogG= -0.024007 logG= -0.028709 Density= 0.214135 ETOT(band)= -0.234143 trlgG= -0.294156 logG= -0.028709 TDE= -0.171262 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213508 ETOT(band)= -0.233676 trlgG= -0.292253 logG= -0.027990 TDE= -0.170776 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023371 logG= -0.027985 Density= 0.214197 ETOT(band)= -0.233430 trlgG= -0.292363 logG= -0.027985 TDE= -0.170940 logGD-logG0= -0.005312 tlogG= -0.023958 logG= -0.029270 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323698 ETOT(band)= -0.350730 trlgG= -0.442138 logG= -0.029270 TDE= -0.171514 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023194 logG= -0.028327 logGD-logG0= -0.005375 tlogG= -0.023685 logG= -0.029060 logGD-logG0= -0.009373 tlogG= -0.046714 logG= -0.056087 Density= 0.427913 ETOT(band)= -0.466248 trlgG= -0.581899 logG= -0.056087 TDE= -0.341282 Density= 0.214885 ETOT(band)= -0.233008 trlgG= -0.291243 logG= -0.028327 TDE= -0.170650 Density= 0.215430 ETOT(band)= -0.233661 trlgG= -0.293875 logG= -0.029060 TDE= -0.171288 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023354 logG= -0.028752 Density= 0.215126 ETOT(band)= -0.233405 trlgG= -0.292736 logG= -0.028752 TDE= -0.170994 logGD-logG0= -0.010068 tlogG= -0.048149 logG= -0.058217 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429337 ETOT(band)= -0.468375 trlgG= -0.588664 logG= -0.058217 TDE= -0.342375 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008883 tlogG= -0.048097 logG= -0.056980 Density= 0.425545 ETOT(band)= -0.468470 trlgG= -0.586524 logG= -0.056980 TDE= -0.341842 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009427 tlogG= -0.046608 logG= -0.056035 Density= 0.428122 ETOT(band)= -0.466968 trlgG= -0.584505 logG= -0.056035 TDE= -0.341698 logGD-logG0= -0.010179 tlogG= -0.047669 logG= -0.057848 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022438 logG= -0.027520 Density= 0.428321 ETOT(band)= -0.468251 trlgG= -0.587229 logG= -0.057848 TDE= -0.341970 Density= 0.216393 ETOT(band)= -0.231333 trlgG= -0.288618 logG= -0.027520 TDE= -0.170597 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.021299 logG= -0.026170 logGD-logG0= -0.009565 tlogG= -0.047841 logG= -0.057405 Density= 0.162668 ETOT(band)= -0.173020 trlgG= -0.215926 logG= -0.026170 TDE= -0.169911 Density= 0.428065 ETOT(band)= -0.468270 trlgG= -0.587899 logG= -0.057405 TDE= -0.342329 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047695 logG= -0.058375 logGD-logG0= -0.009857 tlogG= -0.046400 logG= -0.056257 Density= 0.431138 ETOT(band)= -0.467567 trlgG= -0.588743 logG= -0.058375 TDE= -0.342840 logGD-logG0= -0.009529 tlogG= -0.047769 logG= -0.057298 Density= 0.427197 ETOT(band)= -0.468037 trlgG= -0.585887 logG= -0.057298 TDE= -0.341562 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429562 ETOT(band)= -0.465669 trlgG= -0.581566 logG= -0.056257 TDE= -0.341393 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.024157 logG= -0.029138 logGD-logG0= -0.009575 tlogG= -0.047650 logG= -0.057225 Density= 0.426691 ETOT(band)= -0.468490 trlgG= -0.587039 logG= -0.057225 TDE= -0.341861 Density= 0.214760 ETOT(band)= -0.234220 trlgG= -0.294551 logG= -0.029138 TDE= -0.171268 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046930 logG= -0.057171 Density= 0.429915 ETOT(band)= -0.466581 trlgG= -0.584263 logG= -0.057171 TDE= -0.341684 logGD-logG0= -0.010640 tlogG= -0.047268 logG= -0.057907 Density= 0.430522 ETOT(band)= -0.467202 trlgG= -0.586914 logG= -0.057907 TDE= -0.342349 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022327 logG= -0.027124 Density= 0.322898 ETOT(band)= -0.348062 trlgG= -0.434045 logG= -0.027124 TDE= -0.170279 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009893 tlogG= -0.044621 logG= -0.054514 Density= 0.324320 ETOT(band)= -0.346749 trlgG= -0.431980 logG= -0.054514 TDE= -0.340839 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005468 logG= -0.006683 Density= 0.081209 ETOT(band)= -0.086373 trlgG= -0.107375 logG= -0.006683 TDE= -0.042580 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022327 logG= -0.027083 Density= 0.215044 ETOT(band)= -0.232008 trlgG= -0.289112 logG= -0.027083 TDE= -0.170285 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009740 tlogG= -0.044624 logG= -0.054365 Density= 0.431646 ETOT(band)= -0.462187 trlgG= -0.574773 logG= -0.054365 TDE= -0.340477 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.894651591393 eV TrLogG= -407.313985794179 eV Ratio to renormalize= 0.999946368737 rho-rho_expected= 0.001179951058 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 78) Finished k-point number 158 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 126 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 63) Finished k-point number 128 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964711493827228 0.940520326753970 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.035313 ETOT(band)= -0.039087 trlgG= -0.048975 logG= -0.009439 TDE= -0.057011 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024052 logG= -0.028341 Density= 0.106118 ETOT(band)= -0.117195 trlgG= -0.146799 logG= -0.028341 TDE= -0.170970 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023206 logG= -0.027795 Density= 0.106739 ETOT(band)= -0.116649 trlgG= -0.145476 logG= -0.027795 TDE= -0.170501 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002386 tlogG= -0.010425 logG= -0.012811 Density= 0.054385 ETOT(band)= -0.057082 trlgG= -0.070694 logG= -0.012811 TDE= -0.084796 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001679 tlogG= -0.007305 logG= -0.008983 Density= 0.035846 ETOT(band)= -0.038584 trlgG= -0.047911 logG= -0.008983 TDE= -0.056666 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004870 tlogG= -0.021562 logG= -0.026432 Density= 0.108526 ETOT(band)= -0.114899 trlgG= -0.142826 logG= -0.026432 TDE= -0.170098 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004789 tlogG= -0.020987 logG= -0.025776 Density= 0.108723 ETOT(band)= -0.114311 trlgG= -0.141668 logG= -0.025776 TDE= -0.169694 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021694 logG= -0.026670 Density= 0.107941 ETOT(band)= -0.115365 trlgG= -0.143260 logG= -0.026670 TDE= -0.170005 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004921 tlogG= -0.022168 logG= -0.027089 Density= 0.108371 ETOT(band)= -0.115451 trlgG= -0.143956 logG= -0.027089 TDE= -0.170494 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.023215 logG= -0.028279 Density= 0.108206 ETOT(band)= -0.116223 trlgG= -0.145868 logG= -0.028279 TDE= -0.171135 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.023892 logG= -0.028765 Density= 0.106762 ETOT(band)= -0.117141 trlgG= -0.146916 logG= -0.028765 TDE= -0.170983 logGD-logG0= -0.005079 tlogG= -0.022874 logG= -0.027953 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107625 ETOT(band)= -0.116320 trlgG= -0.145343 logG= -0.027953 TDE= -0.170648 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023669 logG= -0.028316 Density= 0.106601 ETOT(band)= -0.116987 trlgG= -0.146390 logG= -0.028316 TDE= -0.170826 logGD-logG0= -0.005270 tlogG= -0.023195 logG= -0.028465 Density= 0.107692 ETOT(band)= -0.116568 trlgG= -0.146153 logG= -0.028465 TDE= -0.170979 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.022852 logG= -0.027560 Density= 0.107303 ETOT(band)= -0.116262 trlgG= -0.145059 logG= -0.027560 TDE= -0.170599 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010841 logG= -0.013286 Density= 0.054068 ETOT(band)= -0.057601 trlgG= -0.071542 logG= -0.013286 TDE= -0.085012 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002309 tlogG= -0.011884 logG= -0.014192 Density= 0.053565 ETOT(band)= -0.058414 trlgG= -0.073268 logG= -0.014192 TDE= -0.085582 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053768 ETOT(band)= -0.058545 trlgG= -0.073687 logG= -0.014618 TDE= -0.085676 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038935 trlgG= -0.048610 logG= -0.009286 TDE= -0.056888 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 Density= 0.053588 ETOT(band)= -0.058558 trlgG= -0.073630 logG= -0.014486 TDE= -0.085662 logGD-logG0= -0.002316 tlogG= -0.011448 logG= -0.013764 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053740 ETOT(band)= -0.058082 trlgG= -0.072503 logG= -0.013764 TDE= -0.085333 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011984 logG= -0.014526 Density= 0.054144 ETOT(band)= -0.058306 trlgG= -0.073548 logG= -0.014526 TDE= -0.085816 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023764 logG= -0.028881 Density= 0.108190 ETOT(band)= -0.116561 trlgG= -0.146823 logG= -0.028881 TDE= -0.171481 logGD-logG0= -0.005071 tlogG= -0.022982 logG= -0.028053 logGD-logG0= -0.005112 tlogG= -0.023430 logG= -0.028542 Density= 0.108146 ETOT(band)= -0.116130 trlgG= -0.145513 logG= -0.028053 TDE= -0.170976 Density= 0.108143 ETOT(band)= -0.116400 trlgG= -0.146287 logG= -0.028542 TDE= -0.171259 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004513 tlogG= -0.024046 logG= -0.028559 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106391 ETOT(band)= -0.117182 trlgG= -0.146806 logG= -0.028559 TDE= -0.170895 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.024071 logG= -0.029318 logGD-logG0= -0.002611 tlogG= -0.011988 logG= -0.014599 Density= 0.053989 ETOT(band)= -0.058427 trlgG= -0.073670 logG= -0.014599 TDE= -0.085787 logGD-logG0= -0.004316 tlogG= -0.023975 logG= -0.028291 Density= 0.106170 ETOT(band)= -0.117151 trlgG= -0.146685 logG= -0.028291 TDE= -0.170933 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023901 logG= -0.029181 Density= 0.107762 ETOT(band)= -0.116957 trlgG= -0.147304 logG= -0.029181 TDE= -0.171449 Density= 0.107653 ETOT(band)= -0.117091 trlgG= -0.147520 logG= -0.029318 TDE= -0.171474 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.024093 logG= -0.029054 Density= 0.107388 ETOT(band)= -0.117057 trlgG= -0.147142 logG= -0.029054 TDE= -0.171229 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.022456 logG= -0.027459 Density= 0.108214 ETOT(band)= -0.115757 trlgG= -0.144565 logG= -0.027459 TDE= -0.170655 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.023950 logG= -0.029054 Density= 0.108242 ETOT(band)= -0.116636 trlgG= -0.147101 logG= -0.029054 TDE= -0.171611 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023684 logG= -0.028938 logGD-logG0= -0.004999 tlogG= -0.022733 logG= -0.027732 Density= 0.108260 ETOT(band)= -0.115893 trlgG= -0.145001 logG= -0.027732 TDE= -0.170842 logGD-logG0= -0.004980 tlogG= -0.022408 logG= -0.027387 Density= 0.107239 ETOT(band)= -0.117027 trlgG= -0.146852 logG= -0.028938 TDE= -0.170981 logGD-logG0= -0.004966 tlogG= -0.023642 logG= -0.028609 Density= 0.106984 ETOT(band)= -0.116957 trlgG= -0.146303 logG= -0.028609 TDE= -0.170635 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.024134 logG= -0.029422 logGD-logG0= -0.005091 tlogG= -0.023871 logG= -0.028962 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107822 ETOT(band)= -0.117086 trlgG= -0.147708 logG= -0.029422 TDE= -0.171642 Density= 0.108262 ETOT(band)= -0.116572 trlgG= -0.146952 logG= -0.028962 TDE= -0.171563 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023967 logG= -0.029164 Density= 0.107453 ETOT(band)= -0.117078 trlgG= -0.147247 logG= -0.029164 TDE= -0.171256 Density= 0.107642 ETOT(band)= -0.115987 trlgG= -0.144447 logG= -0.027387 TDE= -0.170326 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.023605 logG= -0.028699 Density= 0.108216 ETOT(band)= -0.116446 trlgG= -0.146532 logG= -0.028699 TDE= -0.171383 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023687 logG= -0.028363 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022990 logG= -0.027665 Density= 0.106981 ETOT(band)= -0.116868 trlgG= -0.146493 logG= -0.028363 TDE= -0.171070 Density= 0.106876 ETOT(band)= -0.116517 trlgG= -0.145213 logG= -0.027665 TDE= -0.170435 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022849 logG= -0.027680 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107756 ETOT(band)= -0.116115 trlgG= -0.144931 logG= -0.027680 TDE= -0.170574 logGD-logG0= -0.004702 tlogG= -0.023500 logG= -0.028202 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106777 ETOT(band)= -0.116840 trlgG= -0.145959 logG= -0.028202 TDE= -0.170596 logGD-logG0= -0.004848 tlogG= -0.024070 logG= -0.028918 Density= 0.107063 ETOT(band)= -0.117120 trlgG= -0.147170 logG= -0.028918 TDE= -0.171232 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023688 logG= -0.028486 Density= 0.107387 ETOT(band)= -0.116747 trlgG= -0.146400 logG= -0.028486 TDE= -0.171055 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024088 logG= -0.029343 logGD-logG0= -0.005241 tlogG= -0.023871 logG= -0.029112 Density= 0.107899 ETOT(band)= -0.116998 trlgG= -0.147582 logG= -0.029343 TDE= -0.171633 Density= 0.107927 ETOT(band)= -0.116824 trlgG= -0.147196 logG= -0.029112 TDE= -0.171493 logGD-logG0= -0.009719 tlogG= -0.048245 logG= -0.057964 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214418 ETOT(band)= -0.234198 trlgG= -0.294412 logG= -0.057964 TDE= -0.342553 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023580 logG= -0.028859 Density= 0.107811 ETOT(band)= -0.116728 trlgG= -0.146782 logG= -0.028859 TDE= -0.171273 logGD-logG0= -0.005230 tlogG= -0.024059 logG= -0.029289 Density= 0.107959 ETOT(band)= -0.116930 trlgG= -0.147493 logG= -0.029289 TDE= -0.171628 logGD-logG0= -0.009405 tlogG= -0.045760 logG= -0.055166 Density= 0.215034 ETOT(band)= -0.232356 trlgG= -0.290018 logG= -0.055166 TDE= -0.341262 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009044 tlogG= -0.047632 logG= -0.056676 Density= 0.212931 ETOT(band)= -0.234099 trlgG= -0.292914 logG= -0.056676 TDE= -0.341607 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009585 tlogG= -0.047160 logG= -0.056746 Density= 0.213778 ETOT(band)= -0.233795 trlgG= -0.292840 logG= -0.056746 TDE= -0.341882 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009685 tlogG= -0.045591 logG= -0.055276 Density= 0.214375 ETOT(band)= -0.232709 trlgG= -0.290199 logG= -0.055276 TDE= -0.341007 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009865 tlogG= -0.047902 logG= -0.057767 logGD-logG0= -0.010441 tlogG= -0.047748 logG= -0.058189 Density= 0.214776 ETOT(band)= -0.234120 trlgG= -0.294247 logG= -0.058189 TDE= -0.342340 logGD-logG0= -0.009747 tlogG= -0.047155 logG= -0.056902 Density= 0.213983 ETOT(band)= -0.234238 trlgG= -0.294102 logG= -0.057767 TDE= -0.342225 Density= 0.213789 ETOT(band)= -0.233839 trlgG= -0.292631 logG= -0.056902 TDE= -0.341523 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.048082 logG= -0.058478 logGD-logG0= -0.004263 tlogG= -0.024132 logG= -0.028395 Density= 0.212173 ETOT(band)= -0.234441 trlgG= -0.293721 logG= -0.028395 TDE= -0.171009 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215092 ETOT(band)= -0.234172 trlgG= -0.294757 logG= -0.058478 TDE= -0.342716 logGD-logG0= -0.010306 tlogG= -0.047787 logG= -0.058093 logGD-logG0= -0.009790 tlogG= -0.045649 logG= -0.055439 Density= 0.215167 ETOT(band)= -0.232430 trlgG= -0.290009 logG= -0.055439 TDE= -0.341045 logGD-logG0= -0.010245 tlogG= -0.047980 logG= -0.058225 Density= 0.215094 ETOT(band)= -0.234027 trlgG= -0.294340 logG= -0.058225 TDE= -0.342554 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009474 tlogG= -0.047931 logG= -0.057405 Density= 0.213282 ETOT(band)= -0.234306 trlgG= -0.293557 logG= -0.057405 TDE= -0.341695 Density= 0.214674 ETOT(band)= -0.234114 trlgG= -0.294078 logG= -0.058093 TDE= -0.342217 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010478 tlogG= -0.048016 logG= -0.058493 Density= 0.215129 ETOT(band)= -0.234163 trlgG= -0.294784 logG= -0.058493 TDE= -0.342747 logGD-logG0= -0.009358 tlogG= -0.047448 logG= -0.056806 Density= 0.214326 ETOT(band)= -0.233623 trlgG= -0.292967 logG= -0.056806 TDE= -0.342220 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008604 logGD-logG0= -0.010106 tlogG= -0.047661 logG= -0.057767 logGD-logG0= -0.010543 tlogG= -0.046878 logG= -0.057421 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.047308 logG= -0.057642 Density= 0.214277 ETOT(band)= -0.234016 trlgG= -0.293330 logG= -0.057642 TDE= -0.341722 Density= 0.213963 ETOT(band)= -0.234225 trlgG= -0.293855 logG= -0.057767 TDE= -0.341967 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215451 ETOT(band)= -0.233381 trlgG= -0.293085 logG= -0.057421 TDE= -0.342280 logGD-logG0= -0.004396 tlogG= -0.023741 logG= -0.028136 Density= 0.036200 ETOT(band)= -0.038134 trlgG= -0.047248 logG= -0.008604 TDE= -0.056558 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213092 ETOT(band)= -0.233649 trlgG= -0.291795 logG= -0.028136 TDE= -0.170811 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010457 tlogG= -0.047943 logG= -0.058400 logGD-logG0= -0.009989 tlogG= -0.048030 logG= -0.058019 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215921 ETOT(band)= -0.233731 trlgG= -0.294687 logG= -0.058400 TDE= -0.343135 Density= 0.214549 ETOT(band)= -0.234144 trlgG= -0.294160 logG= -0.058019 TDE= -0.342311 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010532 tlogG= -0.047530 logG= -0.058062 Density= 0.215724 ETOT(band)= -0.233615 trlgG= -0.294125 logG= -0.058062 TDE= -0.342814 logGD-logG0= -0.010104 tlogG= -0.046412 logG= -0.056515 Density= 0.215235 ETOT(band)= -0.232992 trlgG= -0.291642 logG= -0.056515 TDE= -0.341636 logGD-logG0= -0.010501 tlogG= -0.047421 logG= -0.057922 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215490 ETOT(band)= -0.233657 trlgG= -0.293886 logG= -0.057922 TDE= -0.342599 logGD-logG0= -0.010512 tlogG= -0.047892 logG= -0.058404 Density= 0.215792 ETOT(band)= -0.233804 trlgG= -0.294689 logG= -0.058404 TDE= -0.343070 logGD-logG0= -0.010591 tlogG= -0.048146 logG= -0.058737 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215447 ETOT(band)= -0.234187 trlgG= -0.295220 logG= -0.058737 TDE= -0.343097 logGD-logG0= -0.009713 tlogG= -0.047225 logG= -0.056938 Density= 0.214493 ETOT(band)= -0.233583 trlgG= -0.292740 logG= -0.056938 TDE= -0.341943 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010015 tlogG= -0.047152 logG= -0.057167 Density= 0.215171 ETOT(band)= -0.233393 trlgG= -0.292660 logG= -0.057167 TDE= -0.341970 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.021873 logG= -0.026829 Density= 0.108335 ETOT(band)= -0.115267 trlgG= -0.143507 logG= -0.026829 TDE= -0.170287 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001177 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067561 trlgG= -0.084215 logG= -0.006348 TDE= -0.042367 logGD-logG0= -0.001196 tlogG= -0.005307 logG= -0.006502 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081568 ETOT(band)= -0.085703 trlgG= -0.106213 logG= -0.006502 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021817 logG= -0.026852 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 Density= 0.107797 ETOT(band)= -0.115558 trlgG= -0.143571 logG= -0.026852 TDE= -0.170062 Density= 0.071501 ETOT(band)= -0.077366 trlgG= -0.096163 logG= -0.009148 TDE= -0.056748 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009946 tlogG= -0.043388 logG= -0.053334 Density= 0.216298 ETOT(band)= -0.230518 trlgG= -0.286495 logG= -0.053334 TDE= -0.340196 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005043 tlogG= -0.021878 logG= -0.026921 Density= 0.216651 ETOT(band)= -0.230334 trlgG= -0.286498 logG= -0.026921 TDE= -0.170256 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004953 tlogG= -0.021349 logG= -0.026302 Density= 0.217045 ETOT(band)= -0.229224 trlgG= -0.284291 logG= -0.026302 TDE= -0.169924 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021204 logG= -0.026116 Density= 0.216367 ETOT(band)= -0.230088 trlgG= -0.285552 logG= -0.026116 TDE= -0.169830 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005170 tlogG= -0.023415 logG= -0.028585 Density= 0.216222 ETOT(band)= -0.232703 trlgG= -0.292220 logG= -0.028585 TDE= -0.171219 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022438 logG= -0.027520 Density= 0.216393 ETOT(band)= -0.231333 trlgG= -0.288618 logG= -0.027520 TDE= -0.170597 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023837 logG= -0.028634 Density= 0.213584 ETOT(band)= -0.234207 trlgG= -0.293769 logG= -0.028634 TDE= -0.171080 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023354 logG= -0.028752 Density= 0.215126 ETOT(band)= -0.233405 trlgG= -0.292736 logG= -0.028752 TDE= -0.170994 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023194 logG= -0.028327 Density= 0.214885 ETOT(band)= -0.233008 trlgG= -0.291242 logG= -0.028327 TDE= -0.170650 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023245 logG= -0.027990 Density= 0.213508 ETOT(band)= -0.233675 trlgG= -0.292253 logG= -0.027990 TDE= -0.170776 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005468 logG= -0.006683 Density= 0.081209 ETOT(band)= -0.086373 trlgG= -0.107375 logG= -0.006683 TDE= -0.042580 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022327 logG= -0.027083 Density= 0.215044 ETOT(band)= -0.232007 trlgG= -0.289111 logG= -0.027083 TDE= -0.170284 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005748 logG= -0.006996 Density= 0.080643 ETOT(band)= -0.087417 trlgG= -0.109619 logG= -0.006996 TDE= -0.042754 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080844 ETOT(band)= -0.086987 trlgG= -0.108615 logG= -0.006847 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080656 ETOT(band)= -0.087632 trlgG= -0.110174 logG= -0.007119 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007250 Density= 0.081070 ETOT(band)= -0.087567 trlgG= -0.110423 logG= -0.007250 TDE= -0.042904 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080840 ETOT(band)= -0.087666 trlgG= -0.110371 logG= -0.007207 TDE= -0.042874 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023800 logG= -0.029019 logGD-logG0= -0.005186 tlogG= -0.024002 logG= -0.029188 Density= 0.215356 ETOT(band)= -0.233812 trlgG= -0.294190 logG= -0.029019 TDE= -0.171456 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215710 ETOT(band)= -0.233905 trlgG= -0.294844 logG= -0.029188 TDE= -0.171609 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 Density= 0.070868 ETOT(band)= -0.077971 trlgG= -0.097464 logG= -0.009386 TDE= -0.056973 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023973 logG= -0.028513 Density= 0.212815 ETOT(band)= -0.234335 trlgG= -0.293517 logG= -0.028513 TDE= -0.170862 logGD-logG0= -0.005040 tlogG= -0.023957 logG= -0.028997 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214356 ETOT(band)= -0.234149 trlgG= -0.293937 logG= -0.028997 TDE= -0.171095 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.022967 logG= -0.028110 Density= 0.216249 ETOT(band)= -0.232130 trlgG= -0.290604 logG= -0.028110 TDE= -0.170932 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.023882 logG= -0.028762 Density= 0.213800 ETOT(band)= -0.234067 trlgG= -0.293031 logG= -0.028762 TDE= -0.170824 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.024000 logG= -0.029149 Density= 0.216382 ETOT(band)= -0.233384 trlgG= -0.294364 logG= -0.029149 TDE= -0.171626 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023481 logG= -0.028696 Density= 0.215235 ETOT(band)= -0.233379 trlgG= -0.292927 logG= -0.028696 TDE= -0.171199 logGD-logG0= -0.004734 tlogG= -0.024006 logG= -0.028741 Density= 0.321590 ETOT(band)= -0.351190 trlgG= -0.441375 logG= -0.028741 TDE= -0.171257 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.024007 logG= -0.028709 Density= 0.214135 ETOT(band)= -0.234142 trlgG= -0.294155 logG= -0.028709 TDE= -0.171262 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023371 logG= -0.027985 Density= 0.214197 ETOT(band)= -0.233430 trlgG= -0.292362 logG= -0.027985 TDE= -0.170939 logGD-logG0= -0.005038 tlogG= -0.023845 logG= -0.028882 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215518 ETOT(band)= -0.233807 trlgG= -0.294294 logG= -0.028882 TDE= -0.171145 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.024163 logG= -0.029169 logGD-logG0= -0.010615 tlogG= -0.048041 logG= -0.058655 Density= 0.322471 ETOT(band)= -0.351298 trlgG= -0.442051 logG= -0.029169 TDE= -0.171262 Density= 0.323282 ETOT(band)= -0.351059 trlgG= -0.442396 logG= -0.058655 TDE= -0.343087 logGD-logG0= -0.004451 tlogG= -0.023587 logG= -0.028038 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212623 ETOT(band)= -0.234058 trlgG= -0.292771 logG= -0.028038 TDE= -0.170726 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010328 tlogG= -0.047787 logG= -0.058115 logGD-logG0= -0.005143 tlogG= -0.023957 logG= -0.029099 Density= 0.324390 ETOT(band)= -0.349982 trlgG= -0.441045 logG= -0.058115 TDE= -0.343092 Density= 0.216416 ETOT(band)= -0.233280 trlgG= -0.294131 logG= -0.029099 TDE= -0.171599 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.024157 logG= -0.029138 Density= 0.214760 ETOT(band)= -0.234220 trlgG= -0.294551 logG= -0.029138 TDE= -0.171267 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010375 tlogG= -0.047236 logG= -0.057611 Density= 0.324170 ETOT(band)= -0.349616 trlgG= -0.439697 logG= -0.057611 TDE= -0.342700 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023244 logG= -0.028236 Density= 0.321727 ETOT(band)= -0.350648 trlgG= -0.439649 logG= -0.028236 TDE= -0.170885 logGD-logG0= -0.005279 tlogG= -0.024123 logG= -0.029402 Density= 0.215743 ETOT(band)= -0.234061 trlgG= -0.295260 logG= -0.029402 TDE= -0.171642 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004566 tlogG= -0.023890 logG= -0.028456 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 Density= 0.040853 ETOT(band)= -0.042681 trlgG= -0.052799 logG= -0.008442 TDE= -0.056472 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213290 ETOT(band)= -0.233922 trlgG= -0.292522 logG= -0.028456 TDE= -0.170814 logGD-logG0= -0.005327 tlogG= -0.023899 logG= -0.029226 Density= 0.215669 ETOT(band)= -0.233807 trlgG= -0.294572 logG= -0.029226 TDE= -0.171465 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.046414 logG= -0.056788 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024084 logG= -0.029295 Density= 0.324032 ETOT(band)= -0.348961 trlgG= -0.437612 logG= -0.056788 TDE= -0.342142 Density= 0.323096 ETOT(band)= -0.351268 trlgG= -0.442700 logG= -0.029295 TDE= -0.171456 logGD-logG0= -0.005163 tlogG= -0.023762 logG= -0.028925 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216304 ETOT(band)= -0.233082 trlgG= -0.293427 logG= -0.028925 TDE= -0.171458 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023368 logG= -0.028013 Density= 0.321658 ETOT(band)= -0.350143 trlgG= -0.438798 logG= -0.028013 TDE= -0.170931 logGD-logG0= -0.010102 tlogG= -0.045628 logG= -0.055730 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324078 ETOT(band)= -0.348018 trlgG= -0.434992 logG= -0.055730 TDE= -0.341517 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023958 logG= -0.029270 Density= 0.323697 ETOT(band)= -0.350729 trlgG= -0.442137 logG= -0.029270 TDE= -0.171514 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022905 logG= -0.027835 Density= 0.214812 ETOT(band)= -0.232455 trlgG= -0.289711 logG= -0.027835 TDE= -0.170462 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008883 tlogG= -0.048097 logG= -0.056980 Density= 0.425545 ETOT(band)= -0.468469 trlgG= -0.586523 logG= -0.056980 TDE= -0.341841 logGD-logG0= -0.009608 tlogG= -0.046605 logG= -0.056212 Density= 0.322732 ETOT(band)= -0.349093 trlgG= -0.436433 logG= -0.056212 TDE= -0.341671 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023685 logG= -0.029060 Density= 0.215430 ETOT(band)= -0.233661 trlgG= -0.293875 logG= -0.029060 TDE= -0.171288 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.047669 logG= -0.057848 logGD-logG0= -0.010068 tlogG= -0.048149 logG= -0.058217 Density= 0.429337 ETOT(band)= -0.468374 trlgG= -0.588663 logG= -0.058217 TDE= -0.342374 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047840 logG= -0.057405 Density= 0.428065 ETOT(band)= -0.468269 trlgG= -0.587897 logG= -0.057405 TDE= -0.342328 Density= 0.428320 ETOT(band)= -0.468250 trlgG= -0.587228 logG= -0.057848 TDE= -0.341969 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046714 logG= -0.056086 Density= 0.427913 ETOT(band)= -0.466247 trlgG= -0.581898 logG= -0.056086 TDE= -0.341282 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047957 logG= -0.058194 Density= 0.429240 ETOT(band)= -0.468336 trlgG= -0.588310 logG= -0.058194 TDE= -0.342215 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010412 tlogG= -0.048071 logG= -0.058483 Density= 0.430185 ETOT(band)= -0.468204 trlgG= -0.589102 logG= -0.058483 TDE= -0.342716 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009427 tlogG= -0.046608 logG= -0.056035 Density= 0.428121 ETOT(band)= -0.466967 trlgG= -0.584503 logG= -0.056035 TDE= -0.341697 logGD-logG0= -0.010201 tlogG= -0.048222 logG= -0.058423 logGD-logG0= -0.004871 tlogG= -0.021299 logG= -0.026170 Density= 0.162668 ETOT(band)= -0.173020 trlgG= -0.215925 logG= -0.026170 TDE= -0.169910 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430078 ETOT(band)= -0.468374 trlgG= -0.589430 logG= -0.058423 TDE= -0.342591 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010581 tlogG= -0.047728 logG= -0.058309 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430795 ETOT(band)= -0.467624 trlgG= -0.588384 logG= -0.058309 TDE= -0.342733 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046400 logG= -0.056257 Density= 0.429562 ETOT(band)= -0.465667 trlgG= -0.581564 logG= -0.056257 TDE= -0.341392 logGD-logG0= -0.009529 tlogG= -0.047769 logG= -0.057298 Density= 0.427197 ETOT(band)= -0.468036 trlgG= -0.585886 logG= -0.057298 TDE= -0.341562 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046930 logG= -0.057171 logGD-logG0= -0.009575 tlogG= -0.047650 logG= -0.057225 Density= 0.426691 ETOT(band)= -0.468489 trlgG= -0.587037 logG= -0.057225 TDE= -0.341860 logGD-logG0= -0.010605 tlogG= -0.048020 logG= -0.058625 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429915 ETOT(band)= -0.466579 trlgG= -0.584262 logG= -0.057171 TDE= -0.341683 Density= 0.431380 ETOT(band)= -0.467847 trlgG= -0.589735 logG= -0.058625 TDE= -0.343104 logGD-logG0= -0.010681 tlogG= -0.047694 logG= -0.058375 Density= 0.431138 ETOT(band)= -0.467566 trlgG= -0.588742 logG= -0.058375 TDE= -0.342839 logGD-logG0= -0.009741 tlogG= -0.047854 logG= -0.057595 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429170 ETOT(band)= -0.468039 trlgG= -0.587864 logG= -0.057595 TDE= -0.342314 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047267 logG= -0.057907 Density= 0.430522 ETOT(band)= -0.467201 trlgG= -0.586913 logG= -0.057907 TDE= -0.342348 logGD-logG0= -0.009921 tlogG= -0.047560 logG= -0.057481 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428637 ETOT(band)= -0.467594 trlgG= -0.586265 logG= -0.057481 TDE= -0.342013 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022327 logG= -0.027124 Density= 0.322898 ETOT(band)= -0.348061 trlgG= -0.434044 logG= -0.027124 TDE= -0.170279 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010165 tlogG= -0.047570 logG= -0.057735 Density= 0.430047 ETOT(band)= -0.467225 trlgG= -0.586192 logG= -0.057735 TDE= -0.342129 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009893 tlogG= -0.044621 logG= -0.054513 Density= 0.324319 ETOT(band)= -0.346749 trlgG= -0.431979 logG= -0.054513 TDE= -0.340839 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.022292 logG= -0.027202 logGD-logG0= -0.004878 tlogG= -0.022474 logG= -0.027352 Density= 0.215037 ETOT(band)= -0.231718 trlgG= -0.288066 logG= -0.027352 TDE= -0.170211 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214272 ETOT(band)= -0.232499 trlgG= -0.289468 logG= -0.027202 TDE= -0.170198 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072237 ETOT(band)= -0.076495 trlgG= -0.094845 logG= -0.008797 TDE= -0.056633 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009740 tlogG= -0.044624 logG= -0.054365 Density= 0.431646 ETOT(band)= -0.462185 trlgG= -0.574772 logG= -0.054365 TDE= -0.340477 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.893896008809 eV TrLogG= -407.312880963800 eV Ratio to renormalize= 0.999947084349 rho-rho_expected= 0.001164205930 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964711220279858 0.940517501450134 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038934 trlgG= -0.048610 logG= -0.009286 TDE= -0.056887 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.035313 ETOT(band)= -0.039086 trlgG= -0.048975 logG= -0.009439 TDE= -0.057011 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024052 logG= -0.028340 Density= 0.106118 ETOT(band)= -0.117194 trlgG= -0.146797 logG= -0.028340 TDE= -0.170969 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027795 Density= 0.106739 ETOT(band)= -0.116648 trlgG= -0.145474 logG= -0.027795 TDE= -0.170500 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008604 Density= 0.036200 ETOT(band)= -0.038133 trlgG= -0.047248 logG= -0.008604 TDE= -0.056558 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002386 tlogG= -0.010425 logG= -0.012810 Density= 0.054384 ETOT(band)= -0.057082 trlgG= -0.070693 logG= -0.012810 TDE= -0.084795 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004870 tlogG= -0.021562 logG= -0.026432 Density= 0.108526 ETOT(band)= -0.114898 trlgG= -0.142824 logG= -0.026432 TDE= -0.170097 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021817 logG= -0.026852 Density= 0.107797 ETOT(band)= -0.115557 trlgG= -0.143569 logG= -0.026852 TDE= -0.170060 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053767 ETOT(band)= -0.058545 trlgG= -0.073686 logG= -0.014618 TDE= -0.085675 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 Density= 0.053588 ETOT(band)= -0.058557 trlgG= -0.073629 logG= -0.014486 TDE= -0.085661 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002316 tlogG= -0.011448 logG= -0.013763 Density= 0.053740 ETOT(band)= -0.058082 trlgG= -0.072502 logG= -0.013763 TDE= -0.085332 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.011988 logG= -0.014599 Density= 0.053988 ETOT(band)= -0.058427 trlgG= -0.073669 logG= -0.014599 TDE= -0.085787 logGD-logG0= -0.005004 tlogG= -0.022455 logG= -0.027459 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108214 ETOT(band)= -0.115756 trlgG= -0.144563 logG= -0.027459 TDE= -0.170654 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 Density= 0.053565 ETOT(band)= -0.058413 trlgG= -0.073267 logG= -0.014192 TDE= -0.085582 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011984 logG= -0.014526 logGD-logG0= -0.005247 tlogG= -0.024070 logG= -0.029318 logGD-logG0= -0.005104 tlogG= -0.023950 logG= -0.029054 Density= 0.108241 ETOT(band)= -0.116635 trlgG= -0.147100 logG= -0.029054 TDE= -0.171609 logGD-logG0= -0.005071 tlogG= -0.022981 logG= -0.028053 Density= 0.054144 ETOT(band)= -0.058305 trlgG= -0.073547 logG= -0.014526 TDE= -0.085815 Density= 0.107653 ETOT(band)= -0.117090 trlgG= -0.147518 logG= -0.029318 TDE= -0.171472 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108146 ETOT(band)= -0.116129 trlgG= -0.145511 logG= -0.028053 TDE= -0.170975 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.023975 logG= -0.028290 logGD-logG0= -0.005113 tlogG= -0.023429 logG= -0.028542 logGD-logG0= -0.005117 tlogG= -0.023763 logG= -0.028880 Density= 0.108190 ETOT(band)= -0.116560 trlgG= -0.146821 logG= -0.028880 TDE= -0.171479 Density= 0.106170 ETOT(band)= -0.117150 trlgG= -0.146683 logG= -0.028290 TDE= -0.170931 Density= 0.108142 ETOT(band)= -0.116399 trlgG= -0.146286 logG= -0.028542 TDE= -0.171258 logGD-logG0= -0.004798 tlogG= -0.023688 logG= -0.028486 Density= 0.107386 ETOT(band)= -0.116746 trlgG= -0.146399 logG= -0.028486 TDE= -0.171053 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022168 logG= -0.027089 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004513 tlogG= -0.024046 logG= -0.028558 Density= 0.106391 ETOT(band)= -0.117181 trlgG= -0.146804 logG= -0.028558 TDE= -0.170893 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108370 ETOT(band)= -0.115450 trlgG= -0.143955 logG= -0.027089 TDE= -0.170493 logGD-logG0= -0.004831 tlogG= -0.022849 logG= -0.027680 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107756 ETOT(band)= -0.116114 trlgG= -0.144929 logG= -0.027680 TDE= -0.170572 logGD-logG0= -0.005091 tlogG= -0.023871 logG= -0.028962 Density= 0.108262 ETOT(band)= -0.116570 trlgG= -0.146951 logG= -0.028962 TDE= -0.171562 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024087 logG= -0.029342 logGD-logG0= -0.005094 tlogG= -0.023604 logG= -0.028699 Density= 0.107899 ETOT(band)= -0.116997 trlgG= -0.147581 logG= -0.029342 TDE= -0.171632 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108215 ETOT(band)= -0.116445 trlgG= -0.146530 logG= -0.028699 TDE= -0.171382 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.023642 logG= -0.028608 Density= 0.106984 ETOT(band)= -0.116955 trlgG= -0.146301 logG= -0.028608 TDE= -0.170633 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023901 logG= -0.029181 logGD-logG0= -0.005255 tlogG= -0.023683 logG= -0.028938 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023967 logG= -0.029164 Density= 0.107762 ETOT(band)= -0.116955 trlgG= -0.147302 logG= -0.029181 TDE= -0.171447 logGD-logG0= -0.005064 tlogG= -0.023215 logG= -0.028279 Density= 0.108206 ETOT(band)= -0.116222 trlgG= -0.145867 logG= -0.028279 TDE= -0.171134 Density= 0.107453 ETOT(band)= -0.117077 trlgG= -0.147245 logG= -0.029164 TDE= -0.171254 Density= 0.107239 ETOT(band)= -0.117025 trlgG= -0.146850 logG= -0.028938 TDE= -0.170980 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022874 logG= -0.027953 Density= 0.107624 ETOT(band)= -0.116319 trlgG= -0.145342 logG= -0.027953 TDE= -0.170647 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022407 logG= -0.027387 Density= 0.107642 ETOT(band)= -0.115986 trlgG= -0.144445 logG= -0.027387 TDE= -0.170325 logGD-logG0= -0.004676 tlogG= -0.023686 logG= -0.028362 Density= 0.106981 ETOT(band)= -0.116867 trlgG= -0.146492 logG= -0.028362 TDE= -0.171069 logGD-logG0= -0.004999 tlogG= -0.022732 logG= -0.027731 Density= 0.108260 ETOT(band)= -0.115892 trlgG= -0.144999 logG= -0.027731 TDE= -0.170840 logGD-logG0= -0.004647 tlogG= -0.023668 logG= -0.028316 Density= 0.106601 ETOT(band)= -0.116986 trlgG= -0.146388 logG= -0.028316 TDE= -0.170824 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022989 logG= -0.027665 Density= 0.106876 ETOT(band)= -0.116516 trlgG= -0.145211 logG= -0.027665 TDE= -0.170433 logGD-logG0= -0.004849 tlogG= -0.024069 logG= -0.028918 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107063 ETOT(band)= -0.117119 trlgG= -0.147168 logG= -0.028918 TDE= -0.171230 logGD-logG0= -0.005288 tlogG= -0.024134 logG= -0.029422 logGD-logG0= -0.004961 tlogG= -0.024092 logG= -0.029054 Density= 0.107822 ETOT(band)= -0.117085 trlgG= -0.147706 logG= -0.029422 TDE= -0.171640 logGD-logG0= -0.004702 tlogG= -0.023500 logG= -0.028202 Density= 0.106777 ETOT(band)= -0.116838 trlgG= -0.145958 logG= -0.028202 TDE= -0.170595 Density= 0.107388 ETOT(band)= -0.117056 trlgG= -0.147140 logG= -0.029054 TDE= -0.171227 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.023892 logG= -0.028764 Density= 0.106762 ETOT(band)= -0.117139 trlgG= -0.146915 logG= -0.028764 TDE= -0.170982 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.024059 logG= -0.029289 Density= 0.107958 ETOT(band)= -0.116929 trlgG= -0.147491 logG= -0.029289 TDE= -0.171626 logGD-logG0= -0.005241 tlogG= -0.023870 logG= -0.029111 Density= 0.107927 ETOT(band)= -0.116823 trlgG= -0.147195 logG= -0.029111 TDE= -0.171491 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023194 logG= -0.028465 logGD-logG0= -0.004708 tlogG= -0.022851 logG= -0.027559 Density= 0.107692 ETOT(band)= -0.116566 trlgG= -0.146151 logG= -0.028465 TDE= -0.170978 Density= 0.107303 ETOT(band)= -0.116261 trlgG= -0.145058 logG= -0.027559 TDE= -0.170597 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009719 tlogG= -0.048244 logG= -0.057963 logGD-logG0= -0.005279 tlogG= -0.023579 logG= -0.028858 Density= 0.214417 ETOT(band)= -0.234196 trlgG= -0.294409 logG= -0.057963 TDE= -0.342550 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107810 ETOT(band)= -0.116727 trlgG= -0.146780 logG= -0.028858 TDE= -0.171272 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.047159 logG= -0.056745 logGD-logG0= -0.009865 tlogG= -0.047901 logG= -0.057766 Density= 0.213982 ETOT(band)= -0.234236 trlgG= -0.294099 logG= -0.057766 TDE= -0.342222 logGD-logG0= -0.009406 tlogG= -0.045759 logG= -0.055165 Density= 0.215033 ETOT(band)= -0.232354 trlgG= -0.290015 logG= -0.055165 TDE= -0.341259 logGD-logG0= -0.009685 tlogG= -0.045590 logG= -0.055275 Density= 0.213777 ETOT(band)= -0.233793 trlgG= -0.292836 logG= -0.056745 TDE= -0.341879 Density= 0.214374 ETOT(band)= -0.232707 trlgG= -0.290195 logG= -0.055275 TDE= -0.341004 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009044 tlogG= -0.047631 logG= -0.056675 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212931 ETOT(band)= -0.234096 trlgG= -0.292910 logG= -0.056675 TDE= -0.341604 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.047154 logG= -0.056901 logGD-logG0= -0.009358 tlogG= -0.047447 logG= -0.056805 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214325 ETOT(band)= -0.233621 trlgG= -0.292964 logG= -0.056805 TDE= -0.342217 Density= 0.213788 ETOT(band)= -0.233837 trlgG= -0.292628 logG= -0.056901 TDE= -0.341520 logGD-logG0= -0.009474 tlogG= -0.047930 logG= -0.057404 Density= 0.213281 ETOT(band)= -0.234303 trlgG= -0.293554 logG= -0.057404 TDE= -0.341692 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.047747 logG= -0.058188 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.048081 logG= -0.058477 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214775 ETOT(band)= -0.234117 trlgG= -0.294243 logG= -0.058188 TDE= -0.342337 Density= 0.215091 ETOT(band)= -0.234169 trlgG= -0.294753 logG= -0.058477 TDE= -0.342713 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.045648 logG= -0.055438 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215166 ETOT(band)= -0.232428 trlgG= -0.290005 logG= -0.055438 TDE= -0.341042 logGD-logG0= -0.010306 tlogG= -0.047786 logG= -0.058092 Density= 0.214674 ETOT(band)= -0.234112 trlgG= -0.294075 logG= -0.058092 TDE= -0.342213 logGD-logG0= -0.010245 tlogG= -0.047979 logG= -0.058224 logGD-logG0= -0.010543 tlogG= -0.046877 logG= -0.057421 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215093 ETOT(band)= -0.234025 trlgG= -0.294337 logG= -0.058224 TDE= -0.342551 logGD-logG0= -0.010478 tlogG= -0.048015 logG= -0.058493 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215450 ETOT(band)= -0.233378 trlgG= -0.293082 logG= -0.057421 TDE= -0.342276 Density= 0.215128 ETOT(band)= -0.234160 trlgG= -0.294780 logG= -0.058493 TDE= -0.342744 logGD-logG0= -0.009989 tlogG= -0.048029 logG= -0.058018 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 logGD-logG0= -0.010107 tlogG= -0.047660 logG= -0.057766 logGD-logG0= -0.010334 tlogG= -0.047308 logG= -0.057642 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010533 tlogG= -0.047529 logG= -0.058061 Density= 0.214548 ETOT(band)= -0.234142 trlgG= -0.294157 logG= -0.058018 TDE= -0.342308 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214276 ETOT(band)= -0.234014 trlgG= -0.293326 logG= -0.057642 TDE= -0.341719 Density= 0.213962 ETOT(band)= -0.234223 trlgG= -0.293851 logG= -0.057766 TDE= -0.341964 Density= 0.215723 ETOT(band)= -0.233613 trlgG= -0.294122 logG= -0.058061 TDE= -0.342811 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035846 ETOT(band)= -0.038584 trlgG= -0.047911 logG= -0.008983 TDE= -0.056666 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010501 tlogG= -0.047420 logG= -0.057921 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 Density= 0.215489 ETOT(band)= -0.233655 trlgG= -0.293882 logG= -0.057921 TDE= -0.342596 Density= 0.054068 ETOT(band)= -0.057601 trlgG= -0.071542 logG= -0.013286 TDE= -0.085011 logGD-logG0= -0.010104 tlogG= -0.046411 logG= -0.056515 logGD-logG0= -0.009714 tlogG= -0.047224 logG= -0.056938 logGD-logG0= -0.010458 tlogG= -0.047942 logG= -0.058400 Density= 0.215920 ETOT(band)= -0.233729 trlgG= -0.294683 logG= -0.058400 TDE= -0.343132 logGD-logG0= -0.010591 tlogG= -0.048145 logG= -0.058736 Density= 0.215234 ETOT(band)= -0.232989 trlgG= -0.291639 logG= -0.056515 TDE= -0.341633 Density= 0.214492 ETOT(band)= -0.233581 trlgG= -0.292736 logG= -0.056938 TDE= -0.341940 Density= 0.215446 ETOT(band)= -0.234185 trlgG= -0.295216 logG= -0.058736 TDE= -0.343094 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010513 tlogG= -0.047891 logG= -0.058403 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215791 ETOT(band)= -0.233802 trlgG= -0.294686 logG= -0.058403 TDE= -0.343067 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010015 tlogG= -0.047151 logG= -0.057167 Density= 0.215170 ETOT(band)= -0.233391 trlgG= -0.292657 logG= -0.057167 TDE= -0.341967 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.021873 logG= -0.026829 Density= 0.108335 ETOT(band)= -0.115266 trlgG= -0.143505 logG= -0.026829 TDE= -0.170286 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004789 tlogG= -0.020986 logG= -0.025775 Density= 0.108723 ETOT(band)= -0.114310 trlgG= -0.141666 logG= -0.025775 TDE= -0.169692 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021694 logG= -0.026669 Density= 0.107940 ETOT(band)= -0.115364 trlgG= -0.143259 logG= -0.026669 TDE= -0.170004 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009946 tlogG= -0.043387 logG= -0.053333 Density= 0.216298 ETOT(band)= -0.230515 trlgG= -0.286492 logG= -0.053333 TDE= -0.340193 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 Density= 0.070867 ETOT(band)= -0.077971 trlgG= -0.097463 logG= -0.009386 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004263 tlogG= -0.024132 logG= -0.028394 Density= 0.212173 ETOT(band)= -0.234439 trlgG= -0.293718 logG= -0.028394 TDE= -0.171008 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004396 tlogG= -0.023740 logG= -0.028136 Density= 0.213092 ETOT(band)= -0.233646 trlgG= -0.291791 logG= -0.028136 TDE= -0.170810 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067561 trlgG= -0.084214 logG= -0.006348 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072237 ETOT(band)= -0.076495 trlgG= -0.094844 logG= -0.008797 TDE= -0.056632 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.022473 logG= -0.027352 Density= 0.215037 ETOT(band)= -0.231716 trlgG= -0.288063 logG= -0.027352 TDE= -0.170210 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 Density= 0.081568 ETOT(band)= -0.085702 trlgG= -0.106212 logG= -0.006502 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005043 tlogG= -0.021878 logG= -0.026921 Density= 0.216650 ETOT(band)= -0.230331 trlgG= -0.286495 logG= -0.026921 TDE= -0.170255 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080840 ETOT(band)= -0.087665 trlgG= -0.110369 logG= -0.007207 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.024001 logG= -0.029187 Density= 0.215709 ETOT(band)= -0.233903 trlgG= -0.294841 logG= -0.029187 TDE= -0.171607 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005983 logG= -0.007250 Density= 0.081070 ETOT(band)= -0.087567 trlgG= -0.110421 logG= -0.007250 TDE= -0.042903 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023799 logG= -0.029019 Density= 0.215355 ETOT(band)= -0.233810 trlgG= -0.294186 logG= -0.029019 TDE= -0.171455 logGD-logG0= -0.005215 tlogG= -0.023481 logG= -0.028696 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215234 ETOT(band)= -0.233376 trlgG= -0.292924 logG= -0.028696 TDE= -0.171198 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.023844 logG= -0.028882 Density= 0.215518 ETOT(band)= -0.233805 trlgG= -0.294291 logG= -0.028882 TDE= -0.171143 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023999 logG= -0.029149 Density= 0.216381 ETOT(band)= -0.233382 trlgG= -0.294360 logG= -0.029149 TDE= -0.171625 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080642 ETOT(band)= -0.087416 trlgG= -0.109618 logG= -0.006996 TDE= -0.042754 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080655 ETOT(band)= -0.087631 trlgG= -0.110173 logG= -0.007119 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080844 ETOT(band)= -0.086986 trlgG= -0.108614 logG= -0.006847 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009608 tlogG= -0.046604 logG= -0.056212 Density= 0.322731 ETOT(band)= -0.349089 trlgG= -0.436428 logG= -0.056212 TDE= -0.341668 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.048040 logG= -0.058655 Density= 0.323281 ETOT(band)= -0.351055 trlgG= -0.442391 logG= -0.058655 TDE= -0.343083 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023243 logG= -0.028236 Density= 0.321726 ETOT(band)= -0.350644 trlgG= -0.439644 logG= -0.028236 TDE= -0.170884 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.024006 logG= -0.028740 Density= 0.321589 ETOT(band)= -0.351187 trlgG= -0.441370 logG= -0.028740 TDE= -0.171255 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.024162 logG= -0.029168 logGD-logG0= -0.005279 tlogG= -0.024122 logG= -0.029402 Density= 0.322470 ETOT(band)= -0.351295 trlgG= -0.442046 logG= -0.029168 TDE= -0.171261 Density= 0.215742 ETOT(band)= -0.234058 trlgG= -0.295256 logG= -0.029402 TDE= -0.171640 logGD-logG0= -0.005143 tlogG= -0.023956 logG= -0.029099 Density= 0.216415 ETOT(band)= -0.233277 trlgG= -0.294128 logG= -0.029099 TDE= -0.171598 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023367 logG= -0.028013 Density= 0.321657 ETOT(band)= -0.350140 trlgG= -0.438793 logG= -0.028013 TDE= -0.170930 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023587 logG= -0.028038 Density= 0.212622 ETOT(band)= -0.234056 trlgG= -0.292768 logG= -0.028038 TDE= -0.170725 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047956 logG= -0.058193 Density= 0.429238 ETOT(band)= -0.468331 trlgG= -0.588303 logG= -0.058193 TDE= -0.342212 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022438 logG= -0.027519 Density= 0.216392 ETOT(band)= -0.231330 trlgG= -0.288614 logG= -0.027519 TDE= -0.170595 logGD-logG0= -0.004540 tlogG= -0.023972 logG= -0.028513 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 Density= 0.212814 ETOT(band)= -0.234332 trlgG= -0.293514 logG= -0.028513 TDE= -0.170861 logGD-logG0= -0.004566 tlogG= -0.023890 logG= -0.028456 Density= 0.213289 ETOT(band)= -0.233920 trlgG= -0.292518 logG= -0.028456 TDE= -0.170812 logGD-logG0= -0.005040 tlogG= -0.023957 logG= -0.028997 Density= 0.214355 ETOT(band)= -0.234147 trlgG= -0.293934 logG= -0.028997 TDE= -0.171093 logGD-logG0= -0.005163 tlogG= -0.023762 logG= -0.028924 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040853 ETOT(band)= -0.042681 trlgG= -0.052798 logG= -0.008442 TDE= -0.056472 Density= 0.216303 ETOT(band)= -0.233080 trlgG= -0.293424 logG= -0.028924 TDE= -0.171457 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047728 logG= -0.058309 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.023882 logG= -0.028762 logGD-logG0= -0.004980 tlogG= -0.024157 logG= -0.029137 Density= 0.214759 ETOT(band)= -0.234217 trlgG= -0.294547 logG= -0.029137 TDE= -0.171266 Density= 0.430793 ETOT(band)= -0.467620 trlgG= -0.588377 logG= -0.058309 TDE= -0.342729 Density= 0.213799 ETOT(band)= -0.234064 trlgG= -0.293028 logG= -0.028762 TDE= -0.170823 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022905 logG= -0.027835 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214811 ETOT(band)= -0.232452 trlgG= -0.289708 logG= -0.027835 TDE= -0.170461 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.045627 logG= -0.055729 logGD-logG0= -0.010329 tlogG= -0.047786 logG= -0.058115 Density= 0.324388 ETOT(band)= -0.349978 trlgG= -0.441040 logG= -0.058115 TDE= -0.343089 logGD-logG0= -0.010412 tlogG= -0.048070 logG= -0.058482 logGD-logG0= -0.005170 tlogG= -0.023414 logG= -0.028584 Density= 0.216222 ETOT(band)= -0.232701 trlgG= -0.292217 logG= -0.028584 TDE= -0.171218 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430183 ETOT(band)= -0.468199 trlgG= -0.589095 logG= -0.058482 TDE= -0.342713 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324076 ETOT(band)= -0.348015 trlgG= -0.434987 logG= -0.055729 TDE= -0.341514 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.022967 logG= -0.028109 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.048221 logG= -0.058423 Density= 0.216248 ETOT(band)= -0.232128 trlgG= -0.290601 logG= -0.028109 TDE= -0.170930 logGD-logG0= -0.009741 tlogG= -0.047853 logG= -0.057594 Density= 0.429169 ETOT(band)= -0.468034 trlgG= -0.587857 logG= -0.057594 TDE= -0.342311 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430076 ETOT(band)= -0.468370 trlgG= -0.589423 logG= -0.058423 TDE= -0.342588 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 Density= 0.071501 ETOT(band)= -0.077366 trlgG= -0.096162 logG= -0.009148 TDE= -0.056747 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023898 logG= -0.029226 Density= 0.215668 ETOT(band)= -0.233805 trlgG= -0.294568 logG= -0.029226 TDE= -0.171464 logGD-logG0= -0.004702 tlogG= -0.024007 logG= -0.028709 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214135 ETOT(band)= -0.234140 trlgG= -0.294152 logG= -0.028709 TDE= -0.171260 logGD-logG0= -0.009922 tlogG= -0.047559 logG= -0.057481 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428636 ETOT(band)= -0.467589 trlgG= -0.586258 logG= -0.057481 TDE= -0.342010 logGD-logG0= -0.010376 tlogG= -0.047234 logG= -0.057610 Density= 0.324168 ETOT(band)= -0.349612 trlgG= -0.439692 logG= -0.057610 TDE= -0.342697 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010605 tlogG= -0.048019 logG= -0.058624 logGD-logG0= -0.004745 tlogG= -0.023244 logG= -0.027989 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.046413 logG= -0.056787 Density= 0.324030 ETOT(band)= -0.348958 trlgG= -0.437607 logG= -0.056787 TDE= -0.342139 Density= 0.431378 ETOT(band)= -0.467843 trlgG= -0.589728 logG= -0.058624 TDE= -0.343101 Density= 0.213507 ETOT(band)= -0.233673 trlgG= -0.292249 logG= -0.027989 TDE= -0.170774 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023370 logG= -0.027984 logGD-logG0= -0.004797 tlogG= -0.023836 logG= -0.028633 Density= 0.213584 ETOT(band)= -0.234204 trlgG= -0.293766 logG= -0.028633 TDE= -0.171079 Density= 0.214196 ETOT(band)= -0.233427 trlgG= -0.292359 logG= -0.027984 TDE= -0.170938 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023194 logG= -0.028326 Density= 0.214884 ETOT(band)= -0.233005 trlgG= -0.291238 logG= -0.028326 TDE= -0.170648 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024083 logG= -0.029295 Density= 0.323095 ETOT(band)= -0.351264 trlgG= -0.442695 logG= -0.029295 TDE= -0.171454 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023684 logG= -0.029060 Density= 0.215429 ETOT(band)= -0.233658 trlgG= -0.293871 logG= -0.029060 TDE= -0.171286 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047839 logG= -0.057404 Density= 0.428063 ETOT(band)= -0.468264 trlgG= -0.587890 logG= -0.057404 TDE= -0.342325 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046713 logG= -0.056086 Density= 0.427912 ETOT(band)= -0.466242 trlgG= -0.581891 logG= -0.056086 TDE= -0.341279 logGD-logG0= -0.005312 tlogG= -0.023958 logG= -0.029270 Density= 0.323696 ETOT(band)= -0.350726 trlgG= -0.442132 logG= -0.029270 TDE= -0.171512 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008883 tlogG= -0.048096 logG= -0.056979 Density= 0.425544 ETOT(band)= -0.468464 trlgG= -0.586516 logG= -0.056979 TDE= -0.341838 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023353 logG= -0.028752 Density= 0.215125 ETOT(band)= -0.233403 trlgG= -0.292732 logG= -0.028752 TDE= -0.170993 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.047668 logG= -0.057847 Density= 0.428319 ETOT(band)= -0.468246 trlgG= -0.587221 logG= -0.057847 TDE= -0.341966 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010165 tlogG= -0.047569 logG= -0.057734 Density= 0.430046 ETOT(band)= -0.467221 trlgG= -0.586185 logG= -0.057734 TDE= -0.342126 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009427 tlogG= -0.046607 logG= -0.056034 logGD-logG0= -0.004910 tlogG= -0.022291 logG= -0.027202 Density= 0.428120 ETOT(band)= -0.466962 trlgG= -0.584497 logG= -0.056034 TDE= -0.341694 Density= 0.214271 ETOT(band)= -0.232496 trlgG= -0.289465 logG= -0.027202 TDE= -0.170196 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010068 tlogG= -0.048148 logG= -0.058216 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429335 ETOT(band)= -0.468369 trlgG= -0.588656 logG= -0.058216 TDE= -0.342371 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047693 logG= -0.058375 Density= 0.431136 ETOT(band)= -0.467561 trlgG= -0.588735 logG= -0.058375 TDE= -0.342836 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009575 tlogG= -0.047649 logG= -0.057225 logGD-logG0= -0.004871 tlogG= -0.021299 logG= -0.026169 Density= 0.162667 ETOT(band)= -0.173018 trlgG= -0.215923 logG= -0.026169 TDE= -0.169909 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.426690 ETOT(band)= -0.468484 trlgG= -0.587030 logG= -0.057225 TDE= -0.341857 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009529 tlogG= -0.047769 logG= -0.057297 Density= 0.427196 ETOT(band)= -0.468031 trlgG= -0.585879 logG= -0.057297 TDE= -0.341559 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046399 logG= -0.056256 Density= 0.429560 ETOT(band)= -0.465663 trlgG= -0.581557 logG= -0.056256 TDE= -0.341389 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047267 logG= -0.057907 Density= 0.430520 ETOT(band)= -0.467197 trlgG= -0.586906 logG= -0.057907 TDE= -0.342345 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046929 logG= -0.057170 Density= 0.429914 ETOT(band)= -0.466575 trlgG= -0.584255 logG= -0.057170 TDE= -0.341680 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021349 logG= -0.026302 Density= 0.217044 ETOT(band)= -0.229222 trlgG= -0.284288 logG= -0.026302 TDE= -0.169922 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021203 logG= -0.026116 Density= 0.216366 ETOT(band)= -0.230086 trlgG= -0.285548 logG= -0.026116 TDE= -0.169829 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027124 Density= 0.322897 ETOT(band)= -0.348058 trlgG= -0.434039 logG= -0.027124 TDE= -0.170277 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006683 Density= 0.081208 ETOT(band)= -0.086372 trlgG= -0.107373 logG= -0.006683 TDE= -0.042579 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009893 tlogG= -0.044620 logG= -0.054513 Density= 0.324318 ETOT(band)= -0.346745 trlgG= -0.431974 logG= -0.054513 TDE= -0.340836 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022326 logG= -0.027083 Density= 0.215043 ETOT(band)= -0.232005 trlgG= -0.289108 logG= -0.027083 TDE= -0.170283 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.044623 logG= -0.054364 Density= 0.431644 ETOT(band)= -0.462181 trlgG= -0.574765 logG= -0.054364 TDE= -0.340474 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.890618942320 eV TrLogG= -407.307625186376 eV Ratio to renormalize= 0.999950662413 rho-rho_expected= 0.001085480463 nargs= 1 argi=dmft2.def 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964680517282400 0.940482973751666 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 Density= 0.053565 ETOT(band)= -0.058413 trlgG= -0.073268 logG= -0.014192 TDE= -0.085582 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004513 tlogG= -0.024046 logG= -0.028558 Density= 0.106391 ETOT(band)= -0.117181 trlgG= -0.146804 logG= -0.028558 TDE= -0.170894 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.023642 logG= -0.028609 Density= 0.106984 ETOT(band)= -0.116956 trlgG= -0.146301 logG= -0.028609 TDE= -0.170634 logGD-logG0= -0.005064 tlogG= -0.023215 logG= -0.028279 Density= 0.108206 ETOT(band)= -0.116222 trlgG= -0.145867 logG= -0.028279 TDE= -0.171134 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023687 logG= -0.028362 Density= 0.106981 ETOT(band)= -0.116867 trlgG= -0.146492 logG= -0.028362 TDE= -0.171069 logGD-logG0= -0.004872 tlogG= -0.023892 logG= -0.028764 Density= 0.106762 ETOT(band)= -0.117140 trlgG= -0.146915 logG= -0.028764 TDE= -0.170982 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.024069 logG= -0.028918 Density= 0.107063 ETOT(band)= -0.117119 trlgG= -0.147168 logG= -0.028918 TDE= -0.171230 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 Density= 0.054068 ETOT(band)= -0.057601 trlgG= -0.071542 logG= -0.013286 TDE= -0.085011 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.004544 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007054 Density= 0.053767 ETOT(band)= -0.058545 trlgG= -0.073686 logG= -0.014618 TDE= -0.085675 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014486 logGD-logG0= -0.002316 tlogG= -0.011448 logG= -0.013763 Density= 0.053588 ETOT(band)= -0.058557 trlgG= -0.073629 logG= -0.014486 TDE= -0.085661 Density= 0.053740 ETOT(band)= -0.058082 trlgG= -0.072502 logG= -0.013763 TDE= -0.085332 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035493 ETOT(band)= -0.038934 trlgG= -0.048610 logG= -0.009286 TDE= -0.056887 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.035313 ETOT(band)= -0.039086 trlgG= -0.048975 logG= -0.009439 TDE= -0.057011 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023763 logG= -0.028880 Density= 0.108190 ETOT(band)= -0.116561 trlgG= -0.146822 logG= -0.028880 TDE= -0.171479 logGD-logG0= -0.004316 tlogG= -0.023975 logG= -0.028290 logGD-logG0= -0.002542 tlogG= -0.011984 logG= -0.014526 Density= 0.054144 ETOT(band)= -0.058305 trlgG= -0.073548 logG= -0.014526 TDE= -0.085815 Density= 0.106170 ETOT(band)= -0.117150 trlgG= -0.146684 logG= -0.028290 TDE= -0.170932 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.024070 logG= -0.029318 logGD-logG0= -0.005104 tlogG= -0.023950 logG= -0.029054 Density= 0.108241 ETOT(band)= -0.116635 trlgG= -0.147100 logG= -0.029054 TDE= -0.171609 Density= 0.107653 ETOT(band)= -0.117090 trlgG= -0.147518 logG= -0.029318 TDE= -0.171472 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022989 logG= -0.027665 Density= 0.106876 ETOT(band)= -0.116516 trlgG= -0.145211 logG= -0.027665 TDE= -0.170434 logGD-logG0= -0.004289 tlogG= -0.024052 logG= -0.028341 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106118 ETOT(band)= -0.117194 trlgG= -0.146797 logG= -0.028341 TDE= -0.170969 logGD-logG0= -0.005004 tlogG= -0.022456 logG= -0.027459 Density= 0.108214 ETOT(band)= -0.115756 trlgG= -0.144564 logG= -0.027459 TDE= -0.170654 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022168 logG= -0.027089 logGD-logG0= -0.005113 tlogG= -0.023430 logG= -0.028542 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108142 ETOT(band)= -0.116399 trlgG= -0.146286 logG= -0.028542 TDE= -0.171258 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027795 Density= 0.108370 ETOT(band)= -0.115450 trlgG= -0.143955 logG= -0.027089 TDE= -0.170493 logGD-logG0= -0.005071 tlogG= -0.022981 logG= -0.028053 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106739 ETOT(band)= -0.116648 trlgG= -0.145475 logG= -0.027795 TDE= -0.170500 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108146 ETOT(band)= -0.116129 trlgG= -0.145511 logG= -0.028053 TDE= -0.170975 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.011988 logG= -0.014599 Density= 0.053989 ETOT(band)= -0.058427 trlgG= -0.073669 logG= -0.014599 TDE= -0.085787 logGD-logG0= -0.004831 tlogG= -0.022849 logG= -0.027680 Density= 0.107756 ETOT(band)= -0.116114 trlgG= -0.144929 logG= -0.027680 TDE= -0.170573 logGD-logG0= -0.002386 tlogG= -0.010425 logG= -0.012810 Density= 0.054384 ETOT(band)= -0.057082 trlgG= -0.070693 logG= -0.012810 TDE= -0.084795 logGD-logG0= -0.005255 tlogG= -0.023683 logG= -0.028938 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005094 tlogG= -0.023605 logG= -0.028699 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107239 ETOT(band)= -0.117026 trlgG= -0.146851 logG= -0.028938 TDE= -0.170980 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108216 ETOT(band)= -0.116445 trlgG= -0.146530 logG= -0.028699 TDE= -0.171382 logGD-logG0= -0.004702 tlogG= -0.023500 logG= -0.028202 Density= 0.106777 ETOT(band)= -0.116839 trlgG= -0.145958 logG= -0.028202 TDE= -0.170595 logGD-logG0= -0.005255 tlogG= -0.024087 logG= -0.029343 logGD-logG0= -0.005288 tlogG= -0.024134 logG= -0.029422 Density= 0.107822 ETOT(band)= -0.117085 trlgG= -0.147707 logG= -0.029422 TDE= -0.171641 Density= 0.107899 ETOT(band)= -0.116997 trlgG= -0.147581 logG= -0.029343 TDE= -0.171632 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023688 logG= -0.028486 logGD-logG0= -0.005280 tlogG= -0.023901 logG= -0.029181 Density= 0.107762 ETOT(band)= -0.116956 trlgG= -0.147302 logG= -0.029181 TDE= -0.171447 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107386 ETOT(band)= -0.116746 trlgG= -0.146399 logG= -0.028486 TDE= -0.171053 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.022732 logG= -0.027731 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108260 ETOT(band)= -0.115892 trlgG= -0.145000 logG= -0.027731 TDE= -0.170841 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.023871 logG= -0.028962 Density= 0.108262 ETOT(band)= -0.116571 trlgG= -0.146951 logG= -0.028962 TDE= -0.171562 logGD-logG0= -0.004961 tlogG= -0.024092 logG= -0.029054 Density= 0.107388 ETOT(band)= -0.117056 trlgG= -0.147140 logG= -0.029054 TDE= -0.171227 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023668 logG= -0.028316 Density= 0.106601 ETOT(band)= -0.116986 trlgG= -0.146389 logG= -0.028316 TDE= -0.170824 logGD-logG0= -0.005271 tlogG= -0.023194 logG= -0.028465 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022874 logG= -0.027953 Density= 0.107624 ETOT(band)= -0.116319 trlgG= -0.145342 logG= -0.027953 TDE= -0.170647 Density= 0.107692 ETOT(band)= -0.116567 trlgG= -0.146151 logG= -0.028465 TDE= -0.170978 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.022852 logG= -0.027559 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107303 ETOT(band)= -0.116261 trlgG= -0.145058 logG= -0.027559 TDE= -0.170597 logGD-logG0= -0.005197 tlogG= -0.023967 logG= -0.029164 Density= 0.107453 ETOT(band)= -0.117077 trlgG= -0.147245 logG= -0.029164 TDE= -0.171254 logGD-logG0= -0.005241 tlogG= -0.023870 logG= -0.029111 Density= 0.107927 ETOT(band)= -0.116823 trlgG= -0.147195 logG= -0.029111 TDE= -0.171491 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 Density= 0.035846 ETOT(band)= -0.038584 trlgG= -0.047911 logG= -0.008983 TDE= -0.056666 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009406 tlogG= -0.045759 logG= -0.055165 Density= 0.215033 ETOT(band)= -0.232354 trlgG= -0.290015 logG= -0.055165 TDE= -0.341259 logGD-logG0= -0.009719 tlogG= -0.048244 logG= -0.057963 Density= 0.214417 ETOT(band)= -0.234196 trlgG= -0.294409 logG= -0.057963 TDE= -0.342550 logGD-logG0= -0.009586 tlogG= -0.047160 logG= -0.056745 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009044 tlogG= -0.047632 logG= -0.056675 logGD-logG0= -0.009865 tlogG= -0.047901 logG= -0.057766 Density= 0.213982 ETOT(band)= -0.234236 trlgG= -0.294100 logG= -0.057766 TDE= -0.342223 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212931 ETOT(band)= -0.234097 trlgG= -0.292911 logG= -0.056675 TDE= -0.341604 Density= 0.213777 ETOT(band)= -0.233793 trlgG= -0.292837 logG= -0.056745 TDE= -0.341879 logGD-logG0= -0.009685 tlogG= -0.045590 logG= -0.055275 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214374 ETOT(band)= -0.232707 trlgG= -0.290196 logG= -0.055275 TDE= -0.341004 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.024059 logG= -0.029289 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107958 ETOT(band)= -0.116929 trlgG= -0.147492 logG= -0.029289 TDE= -0.171626 logGD-logG0= -0.009358 tlogG= -0.047447 logG= -0.056806 Density= 0.214325 ETOT(band)= -0.233621 trlgG= -0.292965 logG= -0.056806 TDE= -0.342218 logGD-logG0= -0.009474 tlogG= -0.047930 logG= -0.057404 logGD-logG0= -0.010441 tlogG= -0.047747 logG= -0.058188 Density= 0.213281 ETOT(band)= -0.234304 trlgG= -0.293555 logG= -0.057404 TDE= -0.341692 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214775 ETOT(band)= -0.234118 trlgG= -0.294244 logG= -0.058188 TDE= -0.342337 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008604 Density= 0.036200 ETOT(band)= -0.038133 trlgG= -0.047248 logG= -0.008604 TDE= -0.056558 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010245 tlogG= -0.047979 logG= -0.058224 logGD-logG0= -0.009747 tlogG= -0.047154 logG= -0.056901 logGD-logG0= -0.005279 tlogG= -0.023579 logG= -0.028858 Density= 0.215093 ETOT(band)= -0.234025 trlgG= -0.294337 logG= -0.058224 TDE= -0.342552 Density= 0.107810 ETOT(band)= -0.116727 trlgG= -0.146780 logG= -0.028858 TDE= -0.171272 Density= 0.213788 ETOT(band)= -0.233837 trlgG= -0.292628 logG= -0.056901 TDE= -0.341520 logGD-logG0= -0.010306 tlogG= -0.047787 logG= -0.058093 logGD-logG0= -0.010396 tlogG= -0.048081 logG= -0.058478 Density= 0.215091 ETOT(band)= -0.234170 trlgG= -0.294754 logG= -0.058478 TDE= -0.342714 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010478 tlogG= -0.048015 logG= -0.058493 Density= 0.215128 ETOT(band)= -0.234161 trlgG= -0.294781 logG= -0.058493 TDE= -0.342744 Density= 0.214674 ETOT(band)= -0.234112 trlgG= -0.294075 logG= -0.058093 TDE= -0.342214 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010107 tlogG= -0.047660 logG= -0.057766 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010533 tlogG= -0.047529 logG= -0.058062 Density= 0.215723 ETOT(band)= -0.233614 trlgG= -0.294122 logG= -0.058062 TDE= -0.342811 logGD-logG0= -0.009790 tlogG= -0.045648 logG= -0.055439 Density= 0.213962 ETOT(band)= -0.234223 trlgG= -0.293852 logG= -0.057766 TDE= -0.341965 logGD-logG0= -0.010458 tlogG= -0.047942 logG= -0.058400 Density= 0.215166 ETOT(band)= -0.232428 trlgG= -0.290006 logG= -0.055439 TDE= -0.341042 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.048029 logG= -0.058018 Density= 0.215920 ETOT(band)= -0.233729 trlgG= -0.294684 logG= -0.058400 TDE= -0.343132 Density= 0.214548 ETOT(band)= -0.234142 trlgG= -0.294157 logG= -0.058018 TDE= -0.342309 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.046411 logG= -0.056515 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215234 ETOT(band)= -0.232990 trlgG= -0.291639 logG= -0.056515 TDE= -0.341633 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.047308 logG= -0.057642 Density= 0.214276 ETOT(band)= -0.234014 trlgG= -0.293327 logG= -0.057642 TDE= -0.341720 logGD-logG0= -0.010543 tlogG= -0.046877 logG= -0.057421 Density= 0.215450 ETOT(band)= -0.233379 trlgG= -0.293082 logG= -0.057421 TDE= -0.342277 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010591 tlogG= -0.048145 logG= -0.058736 logGD-logG0= -0.010501 tlogG= -0.047420 logG= -0.057921 Density= 0.215489 ETOT(band)= -0.233655 trlgG= -0.293883 logG= -0.057921 TDE= -0.342597 Density= 0.215446 ETOT(band)= -0.234185 trlgG= -0.295217 logG= -0.058736 TDE= -0.343094 logGD-logG0= -0.004980 tlogG= -0.022407 logG= -0.027387 Density= 0.107642 ETOT(band)= -0.115986 trlgG= -0.144445 logG= -0.027387 TDE= -0.170325 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010513 tlogG= -0.047891 logG= -0.058403 Density= 0.215791 ETOT(band)= -0.233802 trlgG= -0.294687 logG= -0.058403 TDE= -0.343068 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009714 tlogG= -0.047224 logG= -0.056938 Density= 0.214492 ETOT(band)= -0.233581 trlgG= -0.292737 logG= -0.056938 TDE= -0.341940 logGD-logG0= -0.004789 tlogG= -0.020986 logG= -0.025775 Density= 0.108723 ETOT(band)= -0.114310 trlgG= -0.141667 logG= -0.025775 TDE= -0.169693 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.021562 logG= -0.026432 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010015 tlogG= -0.047151 logG= -0.057167 Density= 0.108526 ETOT(band)= -0.114899 trlgG= -0.142825 logG= -0.026432 TDE= -0.170097 Density= 0.215170 ETOT(band)= -0.233391 trlgG= -0.292657 logG= -0.057167 TDE= -0.341967 logGD-logG0= -0.004956 tlogG= -0.021873 logG= -0.026829 Density= 0.108335 ETOT(band)= -0.115266 trlgG= -0.143505 logG= -0.026829 TDE= -0.170286 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.021817 logG= -0.026852 Density= 0.107797 ETOT(band)= -0.115557 trlgG= -0.143569 logG= -0.026852 TDE= -0.170060 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021694 logG= -0.026669 Density= 0.107940 ETOT(band)= -0.115364 trlgG= -0.143259 logG= -0.026669 TDE= -0.170004 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009946 tlogG= -0.043387 logG= -0.053333 Density= 0.216298 ETOT(band)= -0.230516 trlgG= -0.286492 logG= -0.053333 TDE= -0.340194 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080642 ETOT(band)= -0.087416 trlgG= -0.109618 logG= -0.006996 TDE= -0.042754 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023972 logG= -0.028513 Density= 0.212814 ETOT(band)= -0.234333 trlgG= -0.293515 logG= -0.028513 TDE= -0.170861 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004880 tlogG= -0.023882 logG= -0.028762 logGD-logG0= -0.005170 tlogG= -0.023414 logG= -0.028584 Density= 0.216222 ETOT(band)= -0.232702 trlgG= -0.292217 logG= -0.028584 TDE= -0.171218 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213799 ETOT(band)= -0.234065 trlgG= -0.293029 logG= -0.028762 TDE= -0.170823 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.024007 logG= -0.028709 logGD-logG0= -0.004797 tlogG= -0.023836 logG= -0.028633 Density= 0.213584 ETOT(band)= -0.234205 trlgG= -0.293766 logG= -0.028633 TDE= -0.171079 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214135 ETOT(band)= -0.234140 trlgG= -0.294153 logG= -0.028709 TDE= -0.171260 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023370 logG= -0.027984 Density= 0.214196 ETOT(band)= -0.233428 trlgG= -0.292359 logG= -0.027984 TDE= -0.170938 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006683 Density= 0.081208 ETOT(band)= -0.086372 trlgG= -0.107374 logG= -0.006683 TDE= -0.042580 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004451 tlogG= -0.023587 logG= -0.028038 Density= 0.212622 ETOT(band)= -0.234056 trlgG= -0.292768 logG= -0.028038 TDE= -0.170725 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 Density= 0.070867 ETOT(band)= -0.077971 trlgG= -0.097463 logG= -0.009386 TDE= -0.056972 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080840 ETOT(band)= -0.087665 trlgG= -0.110370 logG= -0.007207 TDE= -0.042873 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007588 logG= -0.009148 Density= 0.071501 ETOT(band)= -0.077366 trlgG= -0.096162 logG= -0.009148 TDE= -0.056747 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080655 ETOT(band)= -0.087631 trlgG= -0.110173 logG= -0.007119 TDE= -0.042819 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080844 ETOT(band)= -0.086987 trlgG= -0.108614 logG= -0.006847 TDE= -0.042677 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004263 tlogG= -0.024132 logG= -0.028395 Density= 0.212173 ETOT(band)= -0.234439 trlgG= -0.293718 logG= -0.028395 TDE= -0.171008 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 Density= 0.081568 ETOT(band)= -0.085703 trlgG= -0.106212 logG= -0.006502 TDE= -0.042468 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004566 tlogG= -0.023890 logG= -0.028456 Density= 0.213289 ETOT(band)= -0.233920 trlgG= -0.292519 logG= -0.028456 TDE= -0.170813 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007250 logGD-logG0= -0.005186 tlogG= -0.024001 logG= -0.029187 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081070 ETOT(band)= -0.087567 trlgG= -0.110422 logG= -0.007250 TDE= -0.042903 Density= 0.215709 ETOT(band)= -0.233903 trlgG= -0.294841 logG= -0.029187 TDE= -0.171608 logGD-logG0= -0.004396 tlogG= -0.023740 logG= -0.028136 Density= 0.213092 ETOT(band)= -0.233647 trlgG= -0.291792 logG= -0.028136 TDE= -0.170810 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005170 logG= -0.006348 Density= 0.062544 ETOT(band)= -0.067561 trlgG= -0.084214 logG= -0.006348 TDE= -0.042366 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 Density= 0.040853 ETOT(band)= -0.042681 trlgG= -0.052798 logG= -0.008442 TDE= -0.056472 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005150 tlogG= -0.023999 logG= -0.029149 Density= 0.216381 ETOT(band)= -0.233382 trlgG= -0.294361 logG= -0.029149 TDE= -0.171625 logGD-logG0= -0.005220 tlogG= -0.023799 logG= -0.029019 logGD-logG0= -0.005215 tlogG= -0.023481 logG= -0.028696 Density= 0.215234 ETOT(band)= -0.233377 trlgG= -0.292924 logG= -0.028696 TDE= -0.171198 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215355 ETOT(band)= -0.233811 trlgG= -0.294187 logG= -0.029019 TDE= -0.171455 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.024006 logG= -0.028740 Density= 0.321589 ETOT(band)= -0.351187 trlgG= -0.441371 logG= -0.028740 TDE= -0.171255 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023367 logG= -0.028013 Density= 0.321657 ETOT(band)= -0.350140 trlgG= -0.438794 logG= -0.028013 TDE= -0.170930 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.047786 logG= -0.058115 Density= 0.324388 ETOT(band)= -0.349979 trlgG= -0.441040 logG= -0.058115 TDE= -0.343090 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023957 logG= -0.028997 Density= 0.214355 ETOT(band)= -0.234147 trlgG= -0.293934 logG= -0.028997 TDE= -0.171093 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.023844 logG= -0.028882 logGD-logG0= -0.005279 tlogG= -0.024122 logG= -0.029402 Density= 0.215518 ETOT(band)= -0.233806 trlgG= -0.294291 logG= -0.028882 TDE= -0.171143 Density= 0.215742 ETOT(band)= -0.234059 trlgG= -0.295257 logG= -0.029402 TDE= -0.171641 logGD-logG0= -0.005081 tlogG= -0.022438 logG= -0.027519 logGD-logG0= -0.004910 tlogG= -0.022292 logG= -0.027202 Density= 0.214271 ETOT(band)= -0.232497 trlgG= -0.289465 logG= -0.027202 TDE= -0.170197 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216392 ETOT(band)= -0.231331 trlgG= -0.288615 logG= -0.027519 TDE= -0.170595 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022473 logG= -0.027352 logGD-logG0= -0.004930 tlogG= -0.022905 logG= -0.027835 Density= 0.215037 ETOT(band)= -0.231716 trlgG= -0.288063 logG= -0.027352 TDE= -0.170210 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214811 ETOT(band)= -0.232453 trlgG= -0.289708 logG= -0.027835 TDE= -0.170461 logGD-logG0= -0.005163 tlogG= -0.023762 logG= -0.028924 Density= 0.216303 ETOT(band)= -0.233080 trlgG= -0.293424 logG= -0.028924 TDE= -0.171457 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.022967 logG= -0.028109 Density= 0.216248 ETOT(band)= -0.232128 trlgG= -0.290601 logG= -0.028109 TDE= -0.170930 logGD-logG0= -0.010102 tlogG= -0.045627 logG= -0.055729 Density= 0.324076 ETOT(band)= -0.348015 trlgG= -0.434988 logG= -0.055729 TDE= -0.341515 logGD-logG0= -0.010615 tlogG= -0.048040 logG= -0.058655 logGD-logG0= -0.005212 tlogG= -0.024083 logG= -0.029295 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323281 ETOT(band)= -0.351056 trlgG= -0.442392 logG= -0.058655 TDE= -0.343084 Density= 0.323095 ETOT(band)= -0.351265 trlgG= -0.442696 logG= -0.029295 TDE= -0.171454 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009608 tlogG= -0.046604 logG= -0.056212 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322731 ETOT(band)= -0.349090 trlgG= -0.436429 logG= -0.056212 TDE= -0.341669 logGD-logG0= -0.010376 tlogG= -0.047235 logG= -0.057610 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023898 logG= -0.029226 Density= 0.215668 ETOT(band)= -0.233805 trlgG= -0.294569 logG= -0.029226 TDE= -0.171464 logGD-logG0= -0.005143 tlogG= -0.023956 logG= -0.029099 Density= 0.324169 ETOT(band)= -0.349613 trlgG= -0.439693 logG= -0.057610 TDE= -0.342698 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216415 ETOT(band)= -0.233278 trlgG= -0.294128 logG= -0.029099 TDE= -0.171598 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.024162 logG= -0.029168 Density= 0.322470 ETOT(band)= -0.351295 trlgG= -0.442047 logG= -0.029168 TDE= -0.171261 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.046413 logG= -0.056787 Density= 0.324030 ETOT(band)= -0.348958 trlgG= -0.437608 logG= -0.056787 TDE= -0.342140 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023243 logG= -0.028236 Density= 0.321726 ETOT(band)= -0.350645 trlgG= -0.439645 logG= -0.028236 TDE= -0.170884 logGD-logG0= -0.004745 tlogG= -0.023244 logG= -0.027989 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213507 ETOT(band)= -0.233673 trlgG= -0.292250 logG= -0.027989 TDE= -0.170774 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008883 tlogG= -0.048096 logG= -0.056979 logGD-logG0= -0.005399 tlogG= -0.023353 logG= -0.028752 Density= 0.425544 ETOT(band)= -0.468465 trlgG= -0.586517 logG= -0.056979 TDE= -0.341838 Density= 0.215126 ETOT(band)= -0.233403 trlgG= -0.292733 logG= -0.028752 TDE= -0.170993 logGD-logG0= -0.009565 tlogG= -0.047839 logG= -0.057405 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428064 ETOT(band)= -0.468265 trlgG= -0.587892 logG= -0.057405 TDE= -0.342326 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023958 logG= -0.029270 Density= 0.323696 ETOT(band)= -0.350726 trlgG= -0.442133 logG= -0.029270 TDE= -0.171512 logGD-logG0= -0.004980 tlogG= -0.024157 logG= -0.029137 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214759 ETOT(band)= -0.234218 trlgG= -0.294548 logG= -0.029137 TDE= -0.171266 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046713 logG= -0.056086 Density= 0.427912 ETOT(band)= -0.466243 trlgG= -0.581892 logG= -0.056086 TDE= -0.341279 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010068 tlogG= -0.048148 logG= -0.058217 Density= 0.429335 ETOT(band)= -0.468370 trlgG= -0.588657 logG= -0.058217 TDE= -0.342372 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.023194 logG= -0.028326 Density= 0.214884 ETOT(band)= -0.233006 trlgG= -0.291239 logG= -0.028326 TDE= -0.170648 logGD-logG0= -0.009427 tlogG= -0.046607 logG= -0.056034 logGD-logG0= -0.010237 tlogG= -0.047956 logG= -0.058194 Density= 0.428120 ETOT(band)= -0.466963 trlgG= -0.584498 logG= -0.056034 TDE= -0.341694 Density= 0.429238 ETOT(band)= -0.468332 trlgG= -0.588304 logG= -0.058194 TDE= -0.342213 logGD-logG0= -0.010179 tlogG= -0.047668 logG= -0.057847 Density= 0.428319 ETOT(band)= -0.468246 trlgG= -0.587222 logG= -0.057847 TDE= -0.341967 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.048221 logG= -0.058423 logGD-logG0= -0.010681 tlogG= -0.047693 logG= -0.058375 logGD-logG0= -0.010412 tlogG= -0.048070 logG= -0.058482 Density= 0.430076 ETOT(band)= -0.468370 trlgG= -0.589424 logG= -0.058423 TDE= -0.342588 Density= 0.431136 ETOT(band)= -0.467562 trlgG= -0.588736 logG= -0.058375 TDE= -0.342836 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430183 ETOT(band)= -0.468200 trlgG= -0.589096 logG= -0.058482 TDE= -0.342714 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047728 logG= -0.058309 Density= 0.430793 ETOT(band)= -0.467620 trlgG= -0.588379 logG= -0.058309 TDE= -0.342730 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009575 tlogG= -0.047649 logG= -0.057225 Density= 0.426690 ETOT(band)= -0.468485 trlgG= -0.587031 logG= -0.057225 TDE= -0.341857 Density= 0.072237 ETOT(band)= -0.076495 trlgG= -0.094844 logG= -0.008797 TDE= -0.056632 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004871 tlogG= -0.021299 logG= -0.026170 Density= 0.162667 ETOT(band)= -0.173019 trlgG= -0.215923 logG= -0.026170 TDE= -0.169909 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.047853 logG= -0.057594 Density= 0.429169 ETOT(band)= -0.468035 trlgG= -0.587858 logG= -0.057594 TDE= -0.342312 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046929 logG= -0.057171 Density= 0.429914 ETOT(band)= -0.466576 trlgG= -0.584256 logG= -0.057171 TDE= -0.341680 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046399 logG= -0.056256 Density= 0.429560 ETOT(band)= -0.465663 trlgG= -0.581559 logG= -0.056256 TDE= -0.341390 logGD-logG0= -0.009529 tlogG= -0.047769 logG= -0.057298 Density= 0.427196 ETOT(band)= -0.468032 trlgG= -0.585880 logG= -0.057298 TDE= -0.341559 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010605 tlogG= -0.048019 logG= -0.058624 Density= 0.431378 ETOT(band)= -0.467843 trlgG= -0.589729 logG= -0.058624 TDE= -0.343102 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021349 logG= -0.026302 Density= 0.217044 ETOT(band)= -0.229223 trlgG= -0.284288 logG= -0.026302 TDE= -0.169922 logGD-logG0= -0.010640 tlogG= -0.047267 logG= -0.057907 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430520 ETOT(band)= -0.467197 trlgG= -0.586907 logG= -0.057907 TDE= -0.342345 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.047559 logG= -0.057481 Density= 0.428636 ETOT(band)= -0.467590 trlgG= -0.586259 logG= -0.057481 TDE= -0.342011 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023684 logG= -0.029060 Density= 0.215429 ETOT(band)= -0.233659 trlgG= -0.293872 logG= -0.029060 TDE= -0.171286 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027124 Density= 0.322897 ETOT(band)= -0.348058 trlgG= -0.434039 logG= -0.027124 TDE= -0.170277 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010165 tlogG= -0.047569 logG= -0.057734 Density= 0.430046 ETOT(band)= -0.467221 trlgG= -0.586186 logG= -0.057734 TDE= -0.342126 logGD-logG0= -0.009893 tlogG= -0.044620 logG= -0.054513 Density= 0.324318 ETOT(band)= -0.346746 trlgG= -0.431975 logG= -0.054513 TDE= -0.340836 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.021878 logG= -0.026921 Density= 0.216650 ETOT(band)= -0.230332 trlgG= -0.286495 logG= -0.026921 TDE= -0.170255 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022326 logG= -0.027083 Density= 0.215043 ETOT(band)= -0.232005 trlgG= -0.289109 logG= -0.027083 TDE= -0.170283 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004912 tlogG= -0.021204 logG= -0.026116 Density= 0.216366 ETOT(band)= -0.230086 trlgG= -0.285549 logG= -0.026116 TDE= -0.169829 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.044623 logG= -0.054364 Density= 0.431644 ETOT(band)= -0.462182 trlgG= -0.574766 logG= -0.054364 TDE= -0.340474 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.891162158041 eV TrLogG= -407.308458934098 eV Ratio to renormalize= 0.999950465601 rho-rho_expected= 0.001089810771 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964374778249240 0.939861088633551 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000195 tlogG= -0.000850 logG= -0.001045 Density= 0.004542 ETOT(band)= -0.004729 trlgG= -0.005845 logG= -0.001045 TDE= -0.007047 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001479 tlogG= -0.007793 logG= -0.009272 Density= 0.035482 ETOT(band)= -0.038888 trlgG= -0.048545 logG= -0.009272 TDE= -0.056832 logGD-logG0= -0.001398 tlogG= -0.008026 logG= -0.009424 Density= 0.035304 ETOT(band)= -0.039039 trlgG= -0.048909 logG= -0.009424 TDE= -0.056955 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004299 tlogG= -0.023997 logG= -0.028296 logGD-logG0= -0.004325 tlogG= -0.023921 logG= -0.028246 Density= 0.106140 ETOT(band)= -0.117010 trlgG= -0.146488 logG= -0.028246 TDE= -0.170765 Density= 0.106088 ETOT(band)= -0.117054 trlgG= -0.146600 logG= -0.028296 TDE= -0.170802 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004600 tlogG= -0.023153 logG= -0.027753 Density= 0.106706 ETOT(band)= -0.116513 trlgG= -0.145284 logG= -0.027753 TDE= -0.170335 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002318 tlogG= -0.011853 logG= -0.014171 Density= 0.053545 ETOT(band)= -0.058347 trlgG= -0.073173 logG= -0.014171 TDE= -0.085498 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002594 tlogG= -0.012003 logG= -0.014598 Density= 0.053744 ETOT(band)= -0.058481 trlgG= -0.073591 logG= -0.014598 TDE= -0.085588 logGD-logG0= -0.002413 tlogG= -0.012052 logG= -0.014465 Density= 0.053567 ETOT(band)= -0.058491 trlgG= -0.073535 logG= -0.014465 TDE= -0.085578 logGD-logG0= -0.004709 tlogG= -0.023450 logG= -0.028159 Density= 0.106742 ETOT(band)= -0.116704 trlgG= -0.145770 logG= -0.028159 TDE= -0.170432 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004997 tlogG= -0.022351 logG= -0.027348 Density= 0.107603 ETOT(band)= -0.115858 trlgG= -0.144260 logG= -0.027348 TDE= -0.170159 logGD-logG0= -0.004687 tlogG= -0.022938 logG= -0.027624 Density= 0.106842 ETOT(band)= -0.116382 trlgG= -0.145020 logG= -0.027624 TDE= -0.170266 logGD-logG0= -0.002326 tlogG= -0.011418 logG= -0.013744 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053721 ETOT(band)= -0.058017 trlgG= -0.072409 logG= -0.013744 TDE= -0.085249 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002557 tlogG= -0.011950 logG= -0.014507 Density= 0.054118 ETOT(band)= -0.058245 trlgG= -0.073458 logG= -0.014507 TDE= -0.085731 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.023363 logG= -0.028504 logGD-logG0= -0.001683 tlogG= -0.007287 logG= -0.008971 Density= 0.035833 ETOT(band)= -0.038541 trlgG= -0.047849 logG= -0.008971 TDE= -0.056611 logGD-logG0= -0.002627 tlogG= -0.011953 logG= -0.014579 logGD-logG0= -0.005147 tlogG= -0.023696 logG= -0.028843 Density= 0.053964 ETOT(band)= -0.058365 trlgG= -0.073577 logG= -0.014579 TDE= -0.085701 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108094 ETOT(band)= -0.116276 trlgG= -0.146105 logG= -0.028504 TDE= -0.171091 Density= 0.108139 ETOT(band)= -0.116439 trlgG= -0.146641 logG= -0.028843 TDE= -0.171311 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.022393 logG= -0.027421 Density= 0.108170 ETOT(band)= -0.115633 trlgG= -0.144384 logG= -0.027421 TDE= -0.170490 logGD-logG0= -0.004815 tlogG= -0.023630 logG= -0.028445 Density= 0.107345 ETOT(band)= -0.116616 trlgG= -0.146213 logG= -0.028445 TDE= -0.170888 logGD-logG0= -0.005098 tlogG= -0.022916 logG= -0.028015 logGD-logG0= -0.005135 tlogG= -0.023882 logG= -0.029016 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108190 ETOT(band)= -0.116514 trlgG= -0.146919 logG= -0.029016 TDE= -0.171441 Density= 0.108100 ETOT(band)= -0.116006 trlgG= -0.145330 logG= -0.028015 TDE= -0.170809 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.024015 logG= -0.029276 logGD-logG0= -0.004519 tlogG= -0.023995 logG= -0.028514 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001622 tlogG= -0.006971 logG= -0.008592 Density= 0.036185 ETOT(band)= -0.038093 trlgG= -0.047191 logG= -0.008592 TDE= -0.056505 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.022792 logG= -0.027641 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106357 ETOT(band)= -0.117043 trlgG= -0.146613 logG= -0.028514 TDE= -0.170730 Density= 0.107715 ETOT(band)= -0.115987 trlgG= -0.144747 logG= -0.027641 TDE= -0.170409 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107605 ETOT(band)= -0.116963 trlgG= -0.147327 logG= -0.029276 TDE= -0.171299 logGD-logG0= -0.002399 tlogG= -0.010395 logG= -0.012794 Density= 0.054361 ETOT(band)= -0.057022 trlgG= -0.070609 logG= -0.012794 TDE= -0.084716 logGD-logG0= -0.005270 tlogG= -0.023626 logG= -0.028896 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107196 ETOT(band)= -0.116896 trlgG= -0.146657 logG= -0.028896 TDE= -0.170807 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005121 tlogG= -0.023803 logG= -0.028925 logGD-logG0= -0.005318 tlogG= -0.024062 logG= -0.029381 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108210 ETOT(band)= -0.116449 trlgG= -0.146771 logG= -0.028925 TDE= -0.171394 logGD-logG0= -0.005214 tlogG= -0.023909 logG= -0.029123 Density= 0.107773 ETOT(band)= -0.116959 trlgG= -0.147517 logG= -0.029381 TDE= -0.171468 logGD-logG0= -0.005293 tlogG= -0.023848 logG= -0.029140 Density= 0.107408 ETOT(band)= -0.116949 trlgG= -0.147053 logG= -0.029123 TDE= -0.171081 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107714 ETOT(band)= -0.116830 trlgG= -0.147113 logG= -0.029140 TDE= -0.171275 logGD-logG0= -0.004969 tlogG= -0.023597 logG= -0.028566 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004654 tlogG= -0.023619 logG= -0.028273 Density= 0.106567 ETOT(band)= -0.116850 trlgG= -0.146193 logG= -0.028273 TDE= -0.170655 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.023149 logG= -0.028241 Density= 0.108158 ETOT(band)= -0.116100 trlgG= -0.145686 logG= -0.028241 TDE= -0.170968 logGD-logG0= -0.005123 tlogG= -0.023538 logG= -0.028661 logGD-logG0= -0.004946 tlogG= -0.022106 logG= -0.027052 Density= 0.108326 ETOT(band)= -0.115327 trlgG= -0.143778 logG= -0.027052 TDE= -0.170331 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106945 ETOT(band)= -0.116823 trlgG= -0.146106 logG= -0.028566 TDE= -0.170462 Density= 0.108166 ETOT(band)= -0.116323 trlgG= -0.146350 logG= -0.028661 TDE= -0.171215 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004695 tlogG= -0.023625 logG= -0.028320 Density= 0.106944 ETOT(band)= -0.116734 trlgG= -0.146300 logG= -0.028320 TDE= -0.170901 logGD-logG0= -0.005025 tlogG= -0.022669 logG= -0.027694 Density= 0.108214 ETOT(band)= -0.115770 trlgG= -0.144820 logG= -0.027694 TDE= -0.170676 logGD-logG0= -0.004978 tlogG= -0.024034 logG= -0.029012 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107344 ETOT(band)= -0.116927 trlgG= -0.146955 logG= -0.029012 TDE= -0.171062 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.023847 logG= -0.028721 Density= 0.106724 ETOT(band)= -0.117005 trlgG= -0.146721 logG= -0.028721 TDE= -0.170813 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.022820 logG= -0.027913 Density= 0.107583 ETOT(band)= -0.116192 trlgG= -0.145155 logG= -0.027913 TDE= -0.170479 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.024008 logG= -0.028875 logGD-logG0= -0.005286 tlogG= -0.024016 logG= -0.029302 Density= 0.107022 ETOT(band)= -0.116987 trlgG= -0.146978 logG= -0.028875 TDE= -0.171063 Density= 0.107850 ETOT(band)= -0.116872 trlgG= -0.147393 logG= -0.029302 TDE= -0.171460 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023800 logG= -0.029072 logGD-logG0= -0.005283 tlogG= -0.023142 logG= -0.028425 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107878 ETOT(band)= -0.116699 trlgG= -0.147010 logG= -0.029072 TDE= -0.171321 logGD-logG0= -0.004728 tlogG= -0.022792 logG= -0.027520 Density= 0.107266 ETOT(band)= -0.116130 trlgG= -0.144870 logG= -0.027520 TDE= -0.170431 Density= 0.107648 ETOT(band)= -0.116440 trlgG= -0.145964 logG= -0.028425 TDE= -0.170809 logGD-logG0= -0.004895 tlogG= -0.021502 logG= -0.026397 Density= 0.108481 ETOT(band)= -0.114777 trlgG= -0.142651 logG= -0.026397 TDE= -0.169936 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009755 tlogG= -0.048124 logG= -0.057879 Density= 0.214333 ETOT(band)= -0.233934 trlgG= -0.294033 logG= -0.057879 TDE= -0.342217 logGD-logG0= -0.004815 tlogG= -0.020927 logG= -0.025742 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023988 logG= -0.029249 Density= 0.107909 ETOT(band)= -0.116805 trlgG= -0.147305 logG= -0.029249 TDE= -0.171455 Density= 0.108677 ETOT(band)= -0.114190 trlgG= -0.141496 logG= -0.025742 TDE= -0.169533 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009444 tlogG= -0.045643 logG= -0.055086 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214955 ETOT(band)= -0.232095 trlgG= -0.289645 logG= -0.055086 TDE= -0.340929 logGD-logG0= -0.009060 tlogG= -0.047529 logG= -0.056588 logGD-logG0= -0.009623 tlogG= -0.047037 logG= -0.056661 Density= 0.213704 ETOT(band)= -0.233526 trlgG= -0.292453 logG= -0.056661 TDE= -0.341543 Density= 0.212865 ETOT(band)= -0.233822 trlgG= -0.292528 logG= -0.056588 TDE= -0.341276 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009724 tlogG= -0.045471 logG= -0.055194 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009395 tlogG= -0.047327 logG= -0.056722 Density= 0.214302 ETOT(band)= -0.232444 trlgG= -0.289819 logG= -0.055194 TDE= -0.340672 Density= 0.214247 ETOT(band)= -0.233358 trlgG= -0.292586 logG= -0.056722 TDE= -0.341884 logGD-logG0= -0.009756 tlogG= -0.047061 logG= -0.056816 logGD-logG0= -0.009901 tlogG= -0.047779 logG= -0.057680 Density= 0.213714 ETOT(band)= -0.233571 trlgG= -0.292246 logG= -0.056816 TDE= -0.341186 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213902 ETOT(band)= -0.233971 trlgG= -0.293718 logG= -0.057680 TDE= -0.341887 logGD-logG0= -0.009482 tlogG= -0.047835 logG= -0.057317 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213209 ETOT(band)= -0.234033 trlgG= -0.293164 logG= -0.057317 TDE= -0.341354 logGD-logG0= -0.010428 tlogG= -0.047968 logG= -0.058395 logGD-logG0= -0.010274 tlogG= -0.047868 logG= -0.058142 logGD-logG0= -0.010474 tlogG= -0.047631 logG= -0.058105 Density= 0.214686 ETOT(band)= -0.233860 trlgG= -0.293858 logG= -0.058105 TDE= -0.341991 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214999 ETOT(band)= -0.233915 trlgG= -0.294371 logG= -0.058395 TDE= -0.342368 logGD-logG0= -0.010507 tlogG= -0.047903 logG= -0.058410 Density= 0.215035 ETOT(band)= -0.233906 trlgG= -0.294398 logG= -0.058410 TDE= -0.342398 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215002 ETOT(band)= -0.233769 trlgG= -0.293954 logG= -0.058142 TDE= -0.342206 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010338 tlogG= -0.047671 logG= -0.058009 logGD-logG0= -0.010022 tlogG= -0.047912 logG= -0.057934 Density= 0.214463 ETOT(band)= -0.233882 trlgG= -0.293784 logG= -0.057934 TDE= -0.341977 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010594 tlogG= -0.047389 logG= -0.057983 logGD-logG0= -0.005055 tlogG= -0.021760 logG= -0.026815 Density= 0.107757 ETOT(band)= -0.115430 trlgG= -0.143388 logG= -0.026815 TDE= -0.169896 logGD-logG0= -0.010520 tlogG= -0.047802 logG= -0.058322 Density= 0.215821 ETOT(band)= -0.233481 trlgG= -0.294313 logG= -0.058322 TDE= -0.342791 Density= 0.214586 ETOT(band)= -0.233854 trlgG= -0.293688 logG= -0.058009 TDE= -0.341867 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215627 ETOT(band)= -0.233364 trlgG= -0.293750 logG= -0.057983 TDE= -0.342470 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009825 tlogG= -0.045535 logG= -0.055360 Density= 0.215086 ETOT(band)= -0.232172 trlgG= -0.289638 logG= -0.055360 TDE= -0.340714 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010124 tlogG= -0.047556 logG= -0.057681 Density= 0.213883 ETOT(band)= -0.233959 trlgG= -0.293471 logG= -0.057681 TDE= -0.341630 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010526 tlogG= -0.047315 logG= -0.057841 logGD-logG0= -0.010344 tlogG= -0.047214 logG= -0.057558 Density= 0.215396 ETOT(band)= -0.233404 trlgG= -0.293507 logG= -0.057841 TDE= -0.342255 Density= 0.214194 ETOT(band)= -0.233753 trlgG= -0.292946 logG= -0.057558 TDE= -0.341382 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010812 logG= -0.013268 logGD-logG0= -0.010134 tlogG= -0.046302 logG= -0.056435 Density= 0.054047 ETOT(band)= -0.057538 trlgG= -0.071453 logG= -0.013268 TDE= -0.084930 logGD-logG0= -0.004996 tlogG= -0.021637 logG= -0.026633 Density= 0.107900 ETOT(band)= -0.115238 trlgG= -0.143079 logG= -0.026633 TDE= -0.169841 logGD-logG0= -0.010618 tlogG= -0.048036 logG= -0.058654 Density= 0.215149 ETOT(band)= -0.232735 trlgG= -0.291264 logG= -0.056435 TDE= -0.341295 Density= 0.215350 ETOT(band)= -0.233932 trlgG= -0.294836 logG= -0.058654 TDE= -0.342748 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010574 tlogG= -0.047750 logG= -0.058324 Density= 0.215693 ETOT(band)= -0.233553 trlgG= -0.294313 logG= -0.058324 TDE= -0.342725 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.023510 logG= -0.028819 logGD-logG0= -0.010569 tlogG= -0.046772 logG= -0.057341 logGD-logG0= -0.009748 tlogG= -0.047107 logG= -0.056855 Density= 0.214411 ETOT(band)= -0.233320 trlgG= -0.292363 logG= -0.056855 TDE= -0.341609 Density= 0.215359 ETOT(band)= -0.233127 trlgG= -0.292708 logG= -0.057341 TDE= -0.341937 Density= 0.107763 ETOT(band)= -0.116602 trlgG= -0.146594 logG= -0.028819 TDE= -0.171102 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010046 tlogG= -0.047040 logG= -0.057086 Density= 0.215082 ETOT(band)= -0.233136 trlgG= -0.292279 logG= -0.057086 TDE= -0.341627 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.021812 logG= -0.026793 Density= 0.108291 ETOT(band)= -0.115143 trlgG= -0.143329 logG= -0.026793 TDE= -0.170124 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009986 tlogG= -0.043276 logG= -0.053261 Density= 0.216214 ETOT(band)= -0.230267 trlgG= -0.286137 logG= -0.053261 TDE= -0.339869 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001424 tlogG= -0.007947 logG= -0.009371 Density= 0.070848 ETOT(band)= -0.077878 trlgG= -0.097333 logG= -0.009371 TDE= -0.056916 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004461 tlogG= -0.023534 logG= -0.027995 logGD-logG0= -0.004406 tlogG= -0.023687 logG= -0.028092 Density= 0.213028 ETOT(band)= -0.233373 trlgG= -0.291407 logG= -0.028092 TDE= -0.170644 Density= 0.212561 ETOT(band)= -0.233778 trlgG= -0.292379 logG= -0.027995 TDE= -0.170559 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004573 tlogG= -0.023839 logG= -0.028412 Density= 0.213220 ETOT(band)= -0.233649 trlgG= -0.292141 logG= -0.028412 TDE= -0.170649 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001184 tlogG= -0.005156 logG= -0.006340 Density= 0.062523 ETOT(band)= -0.067484 trlgG= -0.084106 logG= -0.006340 TDE= -0.042327 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001578 tlogG= -0.006854 logG= -0.008432 Density= 0.040835 ETOT(band)= -0.042636 trlgG= -0.052736 logG= -0.008432 TDE= -0.056419 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004938 tlogG= -0.022856 logG= -0.027794 Density= 0.214735 ETOT(band)= -0.232194 trlgG= -0.289336 logG= -0.027794 TDE= -0.170296 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001564 tlogG= -0.007571 logG= -0.009134 Density= 0.071477 ETOT(band)= -0.077278 trlgG= -0.096037 logG= -0.009134 TDE= -0.056692 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005922 logG= -0.007197 Density= 0.080804 ETOT(band)= -0.087571 trlgG= -0.110229 logG= -0.007197 TDE= -0.042832 logGD-logG0= -0.001256 tlogG= -0.005731 logG= -0.006987 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080611 ETOT(band)= -0.087319 trlgG= -0.109478 logG= -0.006987 TDE= -0.042712 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001235 tlogG= -0.005603 logG= -0.006838 Density= 0.080814 ETOT(band)= -0.086891 trlgG= -0.108477 logG= -0.006838 TDE= -0.042636 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001270 tlogG= -0.005839 logG= -0.007109 Density= 0.080622 ETOT(band)= -0.087535 trlgG= -0.110034 logG= -0.007109 TDE= -0.042778 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005967 logG= -0.007241 Density= 0.081032 ETOT(band)= -0.087475 trlgG= -0.110284 logG= -0.007241 TDE= -0.042861 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023932 logG= -0.029149 Density= 0.215612 ETOT(band)= -0.233653 trlgG= -0.294466 logG= -0.029149 TDE= -0.171437 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004272 tlogG= -0.024077 logG= -0.028350 Density= 0.212114 ETOT(band)= -0.234157 trlgG= -0.293324 logG= -0.028350 TDE= -0.170841 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005292 logG= -0.006494 Density= 0.081533 ETOT(band)= -0.085613 trlgG= -0.106085 logG= -0.006494 TDE= -0.042428 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005228 tlogG= -0.023429 logG= -0.028657 Density= 0.215146 ETOT(band)= -0.233122 trlgG= -0.292553 logG= -0.028657 TDE= -0.171028 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001690 tlogG= -0.007095 logG= -0.008785 Density= 0.072208 ETOT(band)= -0.076413 trlgG= -0.094728 logG= -0.008785 TDE= -0.056578 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004931 tlogG= -0.022233 logG= -0.027163 Density= 0.214201 ETOT(band)= -0.232233 trlgG= -0.289087 logG= -0.027163 TDE= -0.170031 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005250 tlogG= -0.023730 logG= -0.028980 logGD-logG0= -0.004890 tlogG= -0.022422 logG= -0.027312 Density= 0.214962 ETOT(band)= -0.231458 trlgG= -0.287694 logG= -0.027312 TDE= -0.170044 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215262 ETOT(band)= -0.233557 trlgG= -0.293817 logG= -0.028980 TDE= -0.171285 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023930 logG= -0.029111 Density= 0.216279 ETOT(band)= -0.233138 trlgG= -0.293998 logG= -0.029111 TDE= -0.171455 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.023789 logG= -0.028841 Density= 0.215423 ETOT(band)= -0.233554 trlgG= -0.293915 logG= -0.028841 TDE= -0.170972 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004753 tlogG= -0.023946 logG= -0.028698 Density= 0.321465 ETOT(band)= -0.350794 trlgG= -0.440805 logG= -0.028698 TDE= -0.171088 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.023897 logG= -0.028955 Density= 0.214271 ETOT(band)= -0.233887 trlgG= -0.293551 logG= -0.028955 TDE= -0.170926 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004665 tlogG= -0.023308 logG= -0.027972 Density= 0.321541 ETOT(band)= -0.349746 trlgG= -0.438229 logG= -0.027972 TDE= -0.170764 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010390 tlogG= -0.047648 logG= -0.058038 Density= 0.324237 ETOT(band)= -0.349611 trlgG= -0.440494 logG= -0.058038 TDE= -0.342751 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023888 logG= -0.029061 Density= 0.216313 ETOT(band)= -0.233034 trlgG= -0.293766 logG= -0.029061 TDE= -0.171429 logGD-logG0= -0.004547 tlogG= -0.023922 logG= -0.028469 Density= 0.212748 ETOT(band)= -0.234057 trlgG= -0.293132 logG= -0.028469 TDE= -0.170697 logGD-logG0= -0.005023 tlogG= -0.024103 logG= -0.029126 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024051 logG= -0.029361 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.024097 logG= -0.029095 logGD-logG0= -0.010435 tlogG= -0.047098 logG= -0.057533 Density= 0.324023 ETOT(band)= -0.349244 trlgG= -0.439145 logG= -0.057533 TDE= -0.342360 Density= 0.215644 ETOT(band)= -0.233808 trlgG= -0.294880 logG= -0.029361 TDE= -0.171468 Density= 0.214671 ETOT(band)= -0.233960 trlgG= -0.294169 logG= -0.029095 TDE= -0.171099 Density= 0.322333 ETOT(band)= -0.350911 trlgG= -0.441478 logG= -0.029126 TDE= -0.171095 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023347 logG= -0.028546 Density= 0.216126 ETOT(band)= -0.232456 trlgG= -0.291854 logG= -0.028546 TDE= -0.171050 logGD-logG0= -0.004883 tlogG= -0.023836 logG= -0.028719 Density= 0.213723 ETOT(band)= -0.233799 trlgG= -0.292641 logG= -0.028719 TDE= -0.170654 logGD-logG0= -0.005170 tlogG= -0.022901 logG= -0.028071 Density= 0.216157 ETOT(band)= -0.231881 trlgG= -0.290239 logG= -0.028071 TDE= -0.170764 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010652 tlogG= -0.047921 logG= -0.058573 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323137 ETOT(band)= -0.350677 trlgG= -0.441823 logG= -0.058573 TDE= -0.342739 logGD-logG0= -0.004764 tlogG= -0.023183 logG= -0.027948 logGD-logG0= -0.005358 tlogG= -0.023827 logG= -0.029186 Density= 0.215571 ETOT(band)= -0.233556 trlgG= -0.294195 logG= -0.029186 TDE= -0.171292 Density= 0.213438 ETOT(band)= -0.233403 trlgG= -0.291862 logG= -0.027948 TDE= -0.170607 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.021816 logG= -0.026884 Density= 0.216563 ETOT(band)= -0.230085 trlgG= -0.286143 logG= -0.026884 TDE= -0.170092 logGD-logG0= -0.010130 tlogG= -0.045521 logG= -0.055652 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009642 tlogG= -0.046489 logG= -0.056131 Density= 0.323945 ETOT(band)= -0.347642 trlgG= -0.434442 logG= -0.055652 TDE= -0.341183 logGD-logG0= -0.005193 tlogG= -0.023693 logG= -0.028886 Density= 0.216204 ETOT(band)= -0.232836 trlgG= -0.293061 logG= -0.028886 TDE= -0.171288 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322609 ETOT(band)= -0.348705 trlgG= -0.435877 logG= -0.056131 TDE= -0.341340 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010427 tlogG= -0.046282 logG= -0.056710 logGD-logG0= -0.005225 tlogG= -0.024029 logG= -0.029254 Density= 0.323892 ETOT(band)= -0.348586 trlgG= -0.437059 logG= -0.056710 TDE= -0.341804 Density= 0.322952 ETOT(band)= -0.350884 trlgG= -0.442124 logG= -0.029254 TDE= -0.171281 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004816 tlogG= -0.023775 logG= -0.028590 Density= 0.213509 ETOT(band)= -0.233936 trlgG= -0.293379 logG= -0.028590 TDE= -0.170910 logGD-logG0= -0.005343 tlogG= -0.023887 logG= -0.029230 Density= 0.323549 ETOT(band)= -0.350353 trlgG= -0.441574 logG= -0.029230 TDE= -0.171340 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.023189 logG= -0.028196 logGD-logG0= -0.004720 tlogG= -0.023946 logG= -0.028666 Density= 0.214055 ETOT(band)= -0.233875 trlgG= -0.293772 logG= -0.028666 TDE= -0.171093 Density= 0.321602 ETOT(band)= -0.350254 trlgG= -0.439078 logG= -0.028196 TDE= -0.170716 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004633 tlogG= -0.023310 logG= -0.027944 Density= 0.214121 ETOT(band)= -0.233163 trlgG= -0.291979 logG= -0.027944 TDE= -0.170772 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.021288 logG= -0.026267 Density= 0.216955 ETOT(band)= -0.228979 trlgG= -0.283943 logG= -0.026267 TDE= -0.169761 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005408 tlogG= -0.023303 logG= -0.028711 logGD-logG0= -0.008899 tlogG= -0.047992 logG= -0.056891 logGD-logG0= -0.005138 tlogG= -0.023147 logG= -0.028285 Density= 0.214803 ETOT(band)= -0.232748 trlgG= -0.290861 logG= -0.028285 TDE= -0.170478 Density= 0.215038 ETOT(band)= -0.233149 trlgG= -0.292355 logG= -0.028711 TDE= -0.170821 Density= 0.425414 ETOT(band)= -0.467912 trlgG= -0.585748 logG= -0.056891 TDE= -0.341509 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.021239 logG= -0.026135 Density= 0.162597 ETOT(band)= -0.172836 trlgG= -0.215661 logG= -0.026135 TDE= -0.169749 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010233 tlogG= -0.048107 logG= -0.058339 Density= 0.429893 ETOT(band)= -0.467858 trlgG= -0.588656 logG= -0.058339 TDE= -0.342241 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.022380 logG= -0.027481 logGD-logG0= -0.009390 tlogG= -0.046612 logG= -0.056002 Density= 0.216305 ETOT(band)= -0.231083 trlgG= -0.288256 logG= -0.027481 TDE= -0.170431 Density= 0.427771 ETOT(band)= -0.465710 trlgG= -0.581129 logG= -0.056002 TDE= -0.340943 logGD-logG0= -0.010270 tlogG= -0.047839 logG= -0.058109 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009775 tlogG= -0.047736 logG= -0.057511 Density= 0.428999 ETOT(band)= -0.467515 trlgG= -0.587113 logG= -0.057511 TDE= -0.341981 logGD-logG0= -0.010102 tlogG= -0.048030 logG= -0.058132 Density= 0.429160 ETOT(band)= -0.467853 trlgG= -0.587898 logG= -0.058132 TDE= -0.342039 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009602 tlogG= -0.047718 logG= -0.057320 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429064 ETOT(band)= -0.467814 trlgG= -0.587534 logG= -0.058109 TDE= -0.341870 logGD-logG0= -0.010741 tlogG= -0.047553 logG= -0.058294 Density= 0.430945 ETOT(band)= -0.467061 trlgG= -0.587986 logG= -0.058294 TDE= -0.342492 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427905 ETOT(band)= -0.467735 trlgG= -0.587129 logG= -0.057320 TDE= -0.341991 logGD-logG0= -0.010202 tlogG= -0.047560 logG= -0.057762 Density= 0.428156 ETOT(band)= -0.467721 trlgG= -0.586460 logG= -0.057762 TDE= -0.341631 logGD-logG0= -0.009465 tlogG= -0.046487 logG= -0.055952 Density= 0.427972 ETOT(band)= -0.466432 trlgG= -0.583736 logG= -0.055952 TDE= -0.341362 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.047958 logG= -0.058399 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010607 tlogG= -0.047620 logG= -0.058227 Density= 0.430606 ETOT(band)= -0.467115 trlgG= -0.587623 logG= -0.058227 TDE= -0.342385 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430000 ETOT(band)= -0.467689 trlgG= -0.588329 logG= -0.058399 TDE= -0.342367 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009583 tlogG= -0.047556 logG= -0.057138 logGD-logG0= -0.009537 tlogG= -0.047674 logG= -0.057211 Density= 0.427049 ETOT(band)= -0.467496 trlgG= -0.585111 logG= -0.057211 TDE= -0.341223 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426545 ETOT(band)= -0.467944 trlgG= -0.586253 logG= -0.057138 TDE= -0.341519 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009892 tlogG= -0.046282 logG= -0.056174 Density= 0.429404 ETOT(band)= -0.465145 trlgG= -0.580816 logG= -0.056174 TDE= -0.341059 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.021143 logG= -0.026081 Density= 0.216282 ETOT(band)= -0.229838 trlgG= -0.285196 logG= -0.026081 TDE= -0.169668 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009957 tlogG= -0.047440 logG= -0.057396 Density= 0.428475 ETOT(band)= -0.467066 trlgG= -0.585507 logG= -0.057396 TDE= -0.341678 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010667 tlogG= -0.047876 logG= -0.058543 Density= 0.431184 ETOT(band)= -0.467343 trlgG= -0.588978 logG= -0.058543 TDE= -0.342757 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010272 tlogG= -0.046817 logG= -0.057088 Density= 0.429745 ETOT(band)= -0.466063 trlgG= -0.583498 logG= -0.057088 TDE= -0.341338 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010668 tlogG= -0.047158 logG= -0.057825 Density= 0.430338 ETOT(band)= -0.466691 trlgG= -0.586152 logG= -0.057825 TDE= -0.342002 logGD-logG0= -0.004817 tlogG= -0.022270 logG= -0.027086 Density= 0.322779 ETOT(band)= -0.347673 trlgG= -0.433487 logG= -0.027086 TDE= -0.170113 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010196 tlogG= -0.047456 logG= -0.057652 Density= 0.429871 ETOT(band)= -0.466710 trlgG= -0.585425 logG= -0.057652 TDE= -0.341782 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001222 tlogG= -0.005452 logG= -0.006674 Density= 0.081176 ETOT(band)= -0.086279 trlgG= -0.107241 logG= -0.006674 TDE= -0.042539 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005406 tlogG= -0.023614 logG= -0.029020 Density= 0.215335 ETOT(band)= -0.233407 trlgG= -0.293496 logG= -0.029020 TDE= -0.171115 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009927 tlogG= -0.044510 logG= -0.054437 Density= 0.324191 ETOT(band)= -0.346372 trlgG= -0.431436 logG= -0.054437 TDE= -0.340508 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.022268 logG= -0.027045 Density= 0.214967 ETOT(band)= -0.231747 trlgG= -0.288738 logG= -0.027045 TDE= -0.170118 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009780 tlogG= -0.044508 logG= -0.054288 Density= 0.431482 ETOT(band)= -0.461676 trlgG= -0.574044 logG= -0.054288 TDE= -0.340145 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.532751936468 eV TrLogG= -406.727983133164 eV Ratio to renormalize= 1.000344229132 rho-rho_expected=-0.007570434946 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964637316572568 0.940362034345541 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002314 tlogG= -0.011450 logG= -0.013764 Density= 0.053728 ETOT(band)= -0.058066 trlgG= -0.072487 logG= -0.013764 TDE= -0.085311 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.011990 logG= -0.014600 Density= 0.053974 ETOT(band)= -0.058413 trlgG= -0.073656 logG= -0.014600 TDE= -0.085764 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004507 tlogG= -0.024051 logG= -0.028558 Density= 0.106372 ETOT(band)= -0.117145 trlgG= -0.146770 logG= -0.028558 TDE= -0.170851 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.023610 logG= -0.028702 logGD-logG0= -0.005090 tlogG= -0.023876 logG= -0.028966 Density= 0.108186 ETOT(band)= -0.116418 trlgG= -0.146504 logG= -0.028702 TDE= -0.171338 Density= 0.108231 ETOT(band)= -0.116544 trlgG= -0.146925 logG= -0.028966 TDE= -0.171518 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023220 logG= -0.028281 Density= 0.108177 ETOT(band)= -0.116195 trlgG= -0.145841 logG= -0.028281 TDE= -0.171090 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004642 tlogG= -0.023674 logG= -0.028316 Density= 0.106582 ETOT(band)= -0.116950 trlgG= -0.146354 logG= -0.028316 TDE= -0.170780 logGD-logG0= -0.005075 tlogG= -0.022880 logG= -0.027955 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107600 ETOT(band)= -0.116288 trlgG= -0.145312 logG= -0.027955 TDE= -0.170603 logGD-logG0= -0.004845 tlogG= -0.024074 logG= -0.028919 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107040 ETOT(band)= -0.117087 trlgG= -0.147136 logG= -0.028919 TDE= -0.171186 logGD-logG0= -0.005239 tlogG= -0.023875 logG= -0.029114 Density= 0.107898 ETOT(band)= -0.116795 trlgG= -0.147167 logG= -0.029114 TDE= -0.171447 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023201 logG= -0.028467 Density= 0.107666 ETOT(band)= -0.116537 trlgG= -0.146122 logG= -0.028467 TDE= -0.170934 logGD-logG0= -0.004704 tlogG= -0.022857 logG= -0.027561 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009034 tlogG= -0.047642 logG= -0.056676 Density= 0.107281 ETOT(band)= -0.116228 trlgG= -0.145027 logG= -0.027561 TDE= -0.170554 Density= 0.212894 ETOT(band)= -0.234024 trlgG= -0.292843 logG= -0.056676 TDE= -0.341518 logGD-logG0= -0.009678 tlogG= -0.045600 logG= -0.055278 Density= 0.214332 ETOT(band)= -0.232640 trlgG= -0.290133 logG= -0.055278 TDE= -0.340917 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009463 tlogG= -0.047942 logG= -0.057405 Density= 0.213241 ETOT(band)= -0.234233 trlgG= -0.293486 logG= -0.057405 TDE= -0.341604 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002307 tlogG= -0.011886 logG= -0.014193 Density= 0.053553 ETOT(band)= -0.058397 trlgG= -0.073252 logG= -0.014193 TDE= -0.085560 logGD-logG0= -0.002402 tlogG= -0.012084 logG= -0.014487 Density= 0.053576 ETOT(band)= -0.058541 trlgG= -0.073614 logG= -0.014487 TDE= -0.085639 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005851 logG= -0.001047 TDE= -0.007052 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001473 tlogG= -0.007813 logG= -0.009286 Density= 0.035487 ETOT(band)= -0.038922 trlgG= -0.048598 logG= -0.009286 TDE= -0.056873 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012035 logG= -0.014619 logGD-logG0= -0.002541 tlogG= -0.011986 logG= -0.014528 Density= 0.054129 ETOT(band)= -0.058292 trlgG= -0.073535 logG= -0.014528 TDE= -0.085793 logGD-logG0= -0.009940 tlogG= -0.043399 logG= -0.053339 Density= 0.216244 ETOT(band)= -0.230458 trlgG= -0.286440 logG= -0.053339 TDE= -0.340109 Density= 0.053754 ETOT(band)= -0.058530 trlgG= -0.073671 logG= -0.014619 TDE= -0.085652 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022462 logG= -0.027462 Density= 0.108186 ETOT(band)= -0.115728 trlgG= -0.144537 logG= -0.027462 TDE= -0.170611 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.023955 logG= -0.029057 Density= 0.108211 ETOT(band)= -0.116609 trlgG= -0.147074 logG= -0.029057 TDE= -0.171565 logGD-logG0= -0.004311 tlogG= -0.023979 logG= -0.028290 logGD-logG0= -0.004284 tlogG= -0.024056 logG= -0.028340 Density= 0.106101 ETOT(band)= -0.117156 trlgG= -0.146761 logG= -0.028340 TDE= -0.170925 logGD-logG0= -0.005110 tlogG= -0.023435 logG= -0.028545 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023768 logG= -0.028884 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108160 ETOT(band)= -0.116534 trlgG= -0.146796 logG= -0.028884 TDE= -0.171435 Density= 0.108113 ETOT(band)= -0.116371 trlgG= -0.146260 logG= -0.028545 TDE= -0.171214 Density= 0.106153 ETOT(band)= -0.117112 trlgG= -0.146648 logG= -0.028290 TDE= -0.170888 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.023693 logG= -0.028487 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107362 ETOT(band)= -0.116714 trlgG= -0.146369 logG= -0.028487 TDE= -0.171010 logGD-logG0= -0.005068 tlogG= -0.022987 logG= -0.028055 logGD-logG0= -0.004585 tlogG= -0.023210 logG= -0.027795 Density= 0.106720 ETOT(band)= -0.116613 trlgG= -0.145442 logG= -0.027795 TDE= -0.170457 Density= 0.108118 ETOT(band)= -0.116101 trlgG= -0.145485 logG= -0.028055 TDE= -0.170932 logGD-logG0= -0.004827 tlogG= -0.022855 logG= -0.027682 Density= 0.107731 ETOT(band)= -0.116084 trlgG= -0.144901 logG= -0.027682 TDE= -0.170530 logGD-logG0= -0.004917 tlogG= -0.022174 logG= -0.027092 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108342 ETOT(band)= -0.115422 trlgG= -0.143929 logG= -0.027092 TDE= -0.170451 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001392 tlogG= -0.008046 logG= -0.009438 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035308 ETOT(band)= -0.039073 trlgG= -0.048963 logG= -0.009438 TDE= -0.056996 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.024138 logG= -0.029424 logGD-logG0= -0.005253 tlogG= -0.024092 logG= -0.029345 Density= 0.107794 ETOT(band)= -0.117056 trlgG= -0.147677 logG= -0.029424 TDE= -0.171595 logGD-logG0= -0.005276 tlogG= -0.023907 logG= -0.029183 Density= 0.107871 ETOT(band)= -0.116968 trlgG= -0.147552 logG= -0.029345 TDE= -0.171587 Density= 0.107735 ETOT(band)= -0.116927 trlgG= -0.147273 logG= -0.029183 TDE= -0.171402 logGD-logG0= -0.005243 tlogG= -0.024076 logG= -0.029320 Density= 0.107626 ETOT(band)= -0.117061 trlgG= -0.147488 logG= -0.029320 TDE= -0.171427 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023972 logG= -0.029166 Density= 0.107427 ETOT(band)= -0.117046 trlgG= -0.147214 logG= -0.029166 TDE= -0.171209 logGD-logG0= -0.005251 tlogG= -0.023689 logG= -0.028939 logGD-logG0= -0.004961 tlogG= -0.023648 logG= -0.028610 Density= 0.106962 ETOT(band)= -0.116922 trlgG= -0.146268 logG= -0.028610 TDE= -0.170589 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107215 ETOT(band)= -0.116994 trlgG= -0.146819 logG= -0.028939 TDE= -0.170935 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.022413 logG= -0.027389 Density= 0.107618 ETOT(band)= -0.115955 trlgG= -0.144416 logG= -0.027389 TDE= -0.170282 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004958 tlogG= -0.024098 logG= -0.029055 Density= 0.107363 ETOT(band)= -0.117025 trlgG= -0.147111 logG= -0.029055 TDE= -0.171184 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023505 logG= -0.028202 Density= 0.106757 ETOT(band)= -0.116804 trlgG= -0.145926 logG= -0.028202 TDE= -0.170552 logGD-logG0= -0.004867 tlogG= -0.023898 logG= -0.028765 Density= 0.106741 ETOT(band)= -0.117105 trlgG= -0.146882 logG= -0.028765 TDE= -0.170937 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004996 tlogG= -0.022738 logG= -0.027734 Density= 0.108232 ETOT(band)= -0.115865 trlgG= -0.144973 logG= -0.027734 TDE= -0.170798 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004672 tlogG= -0.023691 logG= -0.028363 Density= 0.106959 ETOT(band)= -0.116833 trlgG= -0.146460 logG= -0.028363 TDE= -0.171025 logGD-logG0= -0.004672 tlogG= -0.022994 logG= -0.027666 Density= 0.106856 ETOT(band)= -0.116482 trlgG= -0.145178 logG= -0.027666 TDE= -0.170390 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023584 logG= -0.028861 Density= 0.107783 ETOT(band)= -0.116698 trlgG= -0.146752 logG= -0.028861 TDE= -0.171227 logGD-logG0= -0.005228 tlogG= -0.024063 logG= -0.029291 Density= 0.107930 ETOT(band)= -0.116901 trlgG= -0.147464 logG= -0.029291 TDE= -0.171582 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009398 tlogG= -0.045770 logG= -0.055169 logGD-logG0= -0.009712 tlogG= -0.048254 logG= -0.057966 Density= 0.214370 ETOT(band)= -0.234132 trlgG= -0.294348 logG= -0.057966 TDE= -0.342463 logGD-logG0= -0.009578 tlogG= -0.047169 logG= -0.056747 Density= 0.213735 ETOT(band)= -0.233725 trlgG= -0.292771 logG= -0.056747 TDE= -0.341791 Density= 0.214986 ETOT(band)= -0.232290 trlgG= -0.289956 logG= -0.055169 TDE= -0.341173 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.047910 logG= -0.057768 Density= 0.213937 ETOT(band)= -0.234170 trlgG= -0.294036 logG= -0.057768 TDE= -0.342135 logGD-logG0= -0.009737 tlogG= -0.047166 logG= -0.056903 Density= 0.213746 ETOT(band)= -0.233769 trlgG= -0.292563 logG= -0.056903 TDE= -0.341433 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010434 tlogG= -0.047758 logG= -0.058191 Density= 0.214725 ETOT(band)= -0.234056 trlgG= -0.294181 logG= -0.058191 TDE= -0.342247 logGD-logG0= -0.009350 tlogG= -0.047458 logG= -0.056808 Density= 0.214280 ETOT(band)= -0.233556 trlgG= -0.292902 logG= -0.056808 TDE= -0.342130 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010298 tlogG= -0.047797 logG= -0.058096 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214625 ETOT(band)= -0.234050 trlgG= -0.294012 logG= -0.058096 TDE= -0.342123 logGD-logG0= -0.010470 tlogG= -0.048026 logG= -0.058496 Density= 0.215075 ETOT(band)= -0.234101 trlgG= -0.294720 logG= -0.058496 TDE= -0.342654 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047991 logG= -0.058228 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009981 tlogG= -0.048040 logG= -0.058021 Density= 0.214500 ETOT(band)= -0.234079 trlgG= -0.294097 logG= -0.058021 TDE= -0.342222 Density= 0.215041 ETOT(band)= -0.233965 trlgG= -0.294276 logG= -0.058228 TDE= -0.342461 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.045660 logG= -0.055442 logGD-logG0= -0.010389 tlogG= -0.048092 logG= -0.058481 Density= 0.215118 ETOT(band)= -0.232366 trlgG= -0.289947 logG= -0.055442 TDE= -0.340956 logGD-logG0= -0.001612 tlogG= -0.006993 logG= -0.008605 Density= 0.036190 ETOT(band)= -0.038124 trlgG= -0.047240 logG= -0.008605 TDE= -0.056544 Density= 0.215039 ETOT(band)= -0.234110 trlgG= -0.294693 logG= -0.058481 TDE= -0.342623 logGD-logG0= -0.010097 tlogG= -0.047671 logG= -0.057768 Density= 0.213918 ETOT(band)= -0.234157 trlgG= -0.293788 logG= -0.057768 TDE= -0.341877 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001678 tlogG= -0.007306 logG= -0.008984 Density= 0.035838 ETOT(band)= -0.038573 trlgG= -0.047901 logG= -0.008984 TDE= -0.056651 logGD-logG0= -0.010528 tlogG= -0.047538 logG= -0.058067 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215667 ETOT(band)= -0.233557 trlgG= -0.294066 logG= -0.058067 TDE= -0.342722 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010493 tlogG= -0.047433 logG= -0.057926 logGD-logG0= -0.010454 tlogG= -0.047951 logG= -0.058405 Density= 0.215435 ETOT(band)= -0.233597 trlgG= -0.293825 logG= -0.057926 TDE= -0.342507 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047320 logG= -0.057644 Density= 0.214230 ETOT(band)= -0.233950 trlgG= -0.293263 logG= -0.057644 TDE= -0.341631 Density= 0.215863 ETOT(band)= -0.233673 trlgG= -0.294628 logG= -0.058405 TDE= -0.343043 logGD-logG0= -0.010583 tlogG= -0.048157 logG= -0.058740 logGD-logG0= -0.010096 tlogG= -0.046423 logG= -0.056519 logGD-logG0= -0.010509 tlogG= -0.047900 logG= -0.058408 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215391 ETOT(band)= -0.234127 trlgG= -0.295157 logG= -0.058740 TDE= -0.343004 Density= 0.215184 ETOT(band)= -0.232929 trlgG= -0.291580 logG= -0.056519 TDE= -0.341545 Density= 0.215735 ETOT(band)= -0.233746 trlgG= -0.294630 logG= -0.058408 TDE= -0.342978 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010535 tlogG= -0.046890 logG= -0.057425 Density= 0.215397 ETOT(band)= -0.233320 trlgG= -0.293024 logG= -0.057425 TDE= -0.342188 logGD-logG0= -0.002384 tlogG= -0.010428 logG= -0.012812 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054369 ETOT(band)= -0.057069 trlgG= -0.070682 logG= -0.012812 TDE= -0.084774 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002444 tlogG= -0.010843 logG= -0.013288 Density= 0.054055 ETOT(band)= -0.057586 trlgG= -0.071529 logG= -0.013288 TDE= -0.084990 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010007 tlogG= -0.047163 logG= -0.057170 logGD-logG0= -0.009706 tlogG= -0.047235 logG= -0.056940 Density= 0.214446 ETOT(band)= -0.233517 trlgG= -0.292676 logG= -0.056940 TDE= -0.341854 Density= 0.215119 ETOT(band)= -0.233330 trlgG= -0.292597 logG= -0.057170 TDE= -0.341879 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.021880 logG= -0.026832 Density= 0.108307 ETOT(band)= -0.115238 trlgG= -0.143480 logG= -0.026832 TDE= -0.170244 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004867 tlogG= -0.021569 logG= -0.026435 Density= 0.108497 ETOT(band)= -0.114871 trlgG= -0.142801 logG= -0.026435 TDE= -0.170055 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005032 tlogG= -0.021823 logG= -0.026855 Density= 0.107772 ETOT(band)= -0.115527 trlgG= -0.143541 logG= -0.026855 TDE= -0.170018 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021699 logG= -0.026672 Density= 0.107915 ETOT(band)= -0.115334 trlgG= -0.143232 logG= -0.026672 TDE= -0.169961 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004786 tlogG= -0.020994 logG= -0.025779 Density= 0.108693 ETOT(band)= -0.114284 trlgG= -0.141644 logG= -0.025779 TDE= -0.169651 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001266 tlogG= -0.005985 logG= -0.007251 Density= 0.081048 ETOT(band)= -0.087546 trlgG= -0.110402 logG= -0.007251 TDE= -0.042893 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005621 logG= -0.006848 Density= 0.080825 ETOT(band)= -0.086964 trlgG= -0.108593 logG= -0.006848 TDE= -0.042667 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.023961 logG= -0.029102 Density= 0.216355 ETOT(band)= -0.233224 trlgG= -0.294077 logG= -0.029102 TDE= -0.171554 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.023903 logG= -0.029228 Density= 0.215613 ETOT(band)= -0.233748 trlgG= -0.294512 logG= -0.029228 TDE= -0.171419 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008873 tlogG= -0.048106 logG= -0.056979 Density= 0.425472 ETOT(band)= -0.468318 trlgG= -0.586380 logG= -0.056979 TDE= -0.341752 logGD-logG0= -0.005161 tlogG= -0.023767 logG= -0.028927 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216245 ETOT(band)= -0.233026 trlgG= -0.293372 logG= -0.028927 TDE= -0.171413 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009364 tlogG= -0.046723 logG= -0.056087 Density= 0.427830 ETOT(band)= -0.466106 trlgG= -0.581762 logG= -0.056087 TDE= -0.341191 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023978 logG= -0.028513 Density= 0.212777 ETOT(band)= -0.234260 trlgG= -0.293447 logG= -0.028513 TDE= -0.170818 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023420 logG= -0.028587 Density= 0.216165 ETOT(band)= -0.232646 trlgG= -0.292164 logG= -0.028587 TDE= -0.171174 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009564 tlogG= -0.047661 logG= -0.057226 Density= 0.426609 ETOT(band)= -0.468345 trlgG= -0.586896 logG= -0.057226 TDE= -0.341769 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004698 tlogG= -0.024012 logG= -0.028710 Density= 0.214089 ETOT(band)= -0.234074 trlgG= -0.294089 logG= -0.028710 TDE= -0.171216 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023200 logG= -0.028328 Density= 0.214837 ETOT(band)= -0.232943 trlgG= -0.291178 logG= -0.028328 TDE= -0.170604 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023360 logG= -0.028754 Density= 0.215075 ETOT(band)= -0.233342 trlgG= -0.292673 logG= -0.028754 TDE= -0.170948 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004741 tlogG= -0.023249 logG= -0.027990 Density= 0.213468 ETOT(band)= -0.233603 trlgG= -0.292183 logG= -0.027990 TDE= -0.170730 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.022332 logG= -0.027085 Density= 0.214997 ETOT(band)= -0.231942 trlgG= -0.289049 logG= -0.027085 TDE= -0.170240 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001263 tlogG= -0.005857 logG= -0.007120 Density= 0.080636 ETOT(band)= -0.087608 trlgG= -0.110151 logG= -0.007120 TDE= -0.042808 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009734 tlogG= -0.044635 logG= -0.054369 Density= 0.431543 ETOT(band)= -0.462061 trlgG= -0.574656 logG= -0.054369 TDE= -0.340388 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001248 tlogG= -0.005749 logG= -0.006997 Density= 0.080624 ETOT(band)= -0.087393 trlgG= -0.109596 logG= -0.006997 TDE= -0.042743 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005940 logG= -0.007208 Density= 0.080819 ETOT(band)= -0.087643 trlgG= -0.110348 logG= -0.007208 TDE= -0.042863 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.024006 logG= -0.029190 Density= 0.215653 ETOT(band)= -0.233846 trlgG= -0.294784 logG= -0.029190 TDE= -0.171563 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.023488 logG= -0.028699 Density= 0.215183 ETOT(band)= -0.233316 trlgG= -0.292866 logG= -0.028699 TDE= -0.171154 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001419 tlogG= -0.007967 logG= -0.009386 Density= 0.070856 ETOT(band)= -0.077946 trlgG= -0.097439 logG= -0.009386 TDE= -0.056958 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023804 logG= -0.029022 Density= 0.215302 ETOT(band)= -0.233752 trlgG= -0.294130 logG= -0.029022 TDE= -0.171411 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.024004 logG= -0.029152 Density= 0.216321 ETOT(band)= -0.233328 trlgG= -0.294309 logG= -0.029152 TDE= -0.171581 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.024011 logG= -0.028742 Density= 0.321518 ETOT(band)= -0.351091 trlgG= -0.441278 logG= -0.028742 TDE= -0.171212 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004258 tlogG= -0.024136 logG= -0.028394 Density= 0.212140 ETOT(band)= -0.234363 trlgG= -0.293646 logG= -0.028394 TDE= -0.170964 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010094 tlogG= -0.045640 logG= -0.055734 Density= 0.323997 ETOT(band)= -0.347928 trlgG= -0.434905 logG= -0.055734 TDE= -0.341428 logGD-logG0= -0.005034 tlogG= -0.023850 logG= -0.028884 Density= 0.215463 ETOT(band)= -0.233747 trlgG= -0.294233 logG= -0.028884 TDE= -0.171098 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024127 logG= -0.029404 Density= 0.215686 ETOT(band)= -0.234002 trlgG= -0.295199 logG= -0.029404 TDE= -0.171595 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010371 tlogG= -0.047245 logG= -0.057616 Density= 0.324083 ETOT(band)= -0.349530 trlgG= -0.439612 logG= -0.057616 TDE= -0.342609 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023745 logG= -0.028136 logGD-logG0= -0.004447 tlogG= -0.023591 logG= -0.028038 Density= 0.212588 ETOT(band)= -0.233982 trlgG= -0.292698 logG= -0.028038 TDE= -0.170681 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213056 ETOT(band)= -0.233574 trlgG= -0.291724 logG= -0.028136 TDE= -0.170766 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023962 logG= -0.028998 logGD-logG0= -0.005077 tlogG= -0.022444 logG= -0.027522 Density= 0.216338 ETOT(band)= -0.231274 trlgG= -0.288562 logG= -0.027522 TDE= -0.170552 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214309 ETOT(band)= -0.234083 trlgG= -0.293871 logG= -0.028998 TDE= -0.171049 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.024162 logG= -0.029139 Density= 0.214709 ETOT(band)= -0.234156 trlgG= -0.294487 logG= -0.029139 TDE= -0.171222 logGD-logG0= -0.004642 tlogG= -0.023372 logG= -0.028014 logGD-logG0= -0.010325 tlogG= -0.047796 logG= -0.058121 Density= 0.324300 ETOT(band)= -0.349897 trlgG= -0.440961 logG= -0.058121 TDE= -0.343001 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023895 logG= -0.028456 Density= 0.213251 ETOT(band)= -0.233850 trlgG= -0.292453 logG= -0.028456 TDE= -0.170770 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321589 ETOT(band)= -0.350042 trlgG= -0.438701 logG= -0.028014 TDE= -0.170886 logGD-logG0= -0.004875 tlogG= -0.023888 logG= -0.028763 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213757 ETOT(band)= -0.233997 trlgG= -0.292962 logG= -0.028763 TDE= -0.170779 logGD-logG0= -0.005002 tlogG= -0.024167 logG= -0.029170 logGD-logG0= -0.005207 tlogG= -0.024089 logG= -0.029297 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323013 ETOT(band)= -0.351177 trlgG= -0.442606 logG= -0.029297 TDE= -0.171409 Density= 0.322393 ETOT(band)= -0.351204 trlgG= -0.441956 logG= -0.029170 TDE= -0.171217 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010609 tlogG= -0.048050 logG= -0.058659 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323199 ETOT(band)= -0.350969 trlgG= -0.442303 logG= -0.058659 TDE= -0.342994 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009600 tlogG= -0.046615 logG= -0.056215 Density= 0.322658 ETOT(band)= -0.348996 trlgG= -0.436342 logG= -0.056215 TDE= -0.341582 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.006875 logG= -0.008444 logGD-logG0= -0.005310 tlogG= -0.023962 logG= -0.029272 Density= 0.323611 ETOT(band)= -0.350642 trlgG= -0.442049 logG= -0.029272 TDE= -0.171467 Density= 0.040841 ETOT(band)= -0.042671 trlgG= -0.052790 logG= -0.008444 TDE= -0.056458 logGD-logG0= -0.005139 tlogG= -0.022973 logG= -0.028112 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023841 logG= -0.028634 Density= 0.213542 ETOT(band)= -0.234136 trlgG= -0.293700 logG= -0.028634 TDE= -0.171035 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216193 ETOT(band)= -0.232072 trlgG= -0.290547 logG= -0.028112 TDE= -0.170887 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010368 tlogG= -0.046424 logG= -0.056792 Density= 0.323948 ETOT(band)= -0.348873 trlgG= -0.437525 logG= -0.056792 TDE= -0.342052 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023250 logG= -0.028238 Density= 0.321656 ETOT(band)= -0.350549 trlgG= -0.439552 logG= -0.028238 TDE= -0.170840 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022910 logG= -0.027836 Density= 0.214766 ETOT(band)= -0.232388 trlgG= -0.289648 logG= -0.027836 TDE= -0.170418 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009420 tlogG= -0.046617 logG= -0.056037 Density= 0.428034 ETOT(band)= -0.466829 trlgG= -0.584369 logG= -0.056037 TDE= -0.341607 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005373 tlogG= -0.023689 logG= -0.029062 Density= 0.215375 ETOT(band)= -0.233600 trlgG= -0.293813 logG= -0.029062 TDE= -0.171242 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010171 tlogG= -0.047679 logG= -0.057849 Density= 0.428228 ETOT(band)= -0.468116 trlgG= -0.587095 logG= -0.057849 TDE= -0.341879 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001558 tlogG= -0.007590 logG= -0.009148 Density= 0.071487 ETOT(band)= -0.077344 trlgG= -0.096141 logG= -0.009148 TDE= -0.056733 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009557 tlogG= -0.047849 logG= -0.057406 logGD-logG0= -0.010229 tlogG= -0.047967 logG= -0.058196 logGD-logG0= -0.010061 tlogG= -0.048159 logG= -0.058219 Density= 0.429237 ETOT(band)= -0.468245 trlgG= -0.588534 logG= -0.058219 TDE= -0.342285 logGD-logG0= -0.010194 tlogG= -0.048232 logG= -0.058426 Density= 0.429973 ETOT(band)= -0.468249 trlgG= -0.589301 logG= -0.058426 TDE= -0.342497 logGD-logG0= -0.004610 tlogG= -0.023376 logG= -0.027986 Density= 0.214152 ETOT(band)= -0.233361 trlgG= -0.292296 logG= -0.027986 TDE= -0.170894 logGD-logG0= -0.004867 tlogG= -0.021306 logG= -0.026173 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429141 ETOT(band)= -0.468207 trlgG= -0.588178 logG= -0.058196 TDE= -0.342123 Density= 0.162623 ETOT(band)= -0.172978 trlgG= -0.215887 logG= -0.026173 TDE= -0.169867 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427974 ETOT(band)= -0.468133 trlgG= -0.587764 logG= -0.057406 TDE= -0.342238 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009733 tlogG= -0.047864 logG= -0.057597 logGD-logG0= -0.010573 tlogG= -0.047740 logG= -0.058313 Density= 0.430686 ETOT(band)= -0.467503 trlgG= -0.588261 logG= -0.058313 TDE= -0.342640 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429072 ETOT(band)= -0.467909 trlgG= -0.587738 logG= -0.057597 TDE= -0.342225 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010233 tlogG= -0.046941 logG= -0.057174 Density= 0.429816 ETOT(band)= -0.466451 trlgG= -0.584134 logG= -0.057174 TDE= -0.341591 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010677 tlogG= -0.047702 logG= -0.058379 logGD-logG0= -0.010404 tlogG= -0.048081 logG= -0.058486 Density= 0.431026 ETOT(band)= -0.467446 trlgG= -0.588621 logG= -0.058379 TDE= -0.342747 Density= 0.430079 ETOT(band)= -0.468080 trlgG= -0.588973 logG= -0.058486 TDE= -0.342623 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009518 tlogG= -0.047780 logG= -0.057299 Density= 0.427114 ETOT(band)= -0.467895 trlgG= -0.585748 logG= -0.057299 TDE= -0.341471 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010601 tlogG= -0.048027 logG= -0.058629 Density= 0.431267 ETOT(band)= -0.467729 trlgG= -0.589614 logG= -0.058629 TDE= -0.343011 logGD-logG0= -0.010632 tlogG= -0.047279 logG= -0.057911 Density= 0.430416 ETOT(band)= -0.467078 trlgG= -0.586788 logG= -0.057911 TDE= -0.342256 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009849 tlogG= -0.046410 logG= -0.056259 Density= 0.429468 ETOT(band)= -0.465535 trlgG= -0.581438 logG= -0.056259 TDE= -0.341303 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009914 tlogG= -0.047569 logG= -0.057483 Density= 0.428545 ETOT(band)= -0.467460 trlgG= -0.586135 logG= -0.057483 TDE= -0.341924 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.022332 logG= -0.027126 logGD-logG0= -0.010157 tlogG= -0.047580 logG= -0.057738 Density= 0.322825 ETOT(band)= -0.347965 trlgG= -0.433952 logG= -0.027126 TDE= -0.170234 Density= 0.429945 ETOT(band)= -0.467099 trlgG= -0.586064 logG= -0.057738 TDE= -0.342036 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001177 tlogG= -0.005172 logG= -0.006349 Density= 0.062531 ETOT(band)= -0.067541 trlgG= -0.084196 logG= -0.006349 TDE= -0.042356 logGD-logG0= -0.009886 tlogG= -0.044632 logG= -0.054518 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324239 ETOT(band)= -0.346658 trlgG= -0.431894 logG= -0.054518 TDE= -0.340750 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005469 logG= -0.006684 Density= 0.081188 ETOT(band)= -0.086351 trlgG= -0.107355 logG= -0.006684 TDE= -0.042569 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001195 tlogG= -0.005308 logG= -0.006503 Density= 0.081545 ETOT(band)= -0.085683 trlgG= -0.106195 logG= -0.006503 TDE= -0.042458 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001680 tlogG= -0.007118 logG= -0.008798 Density= 0.072219 ETOT(band)= -0.076476 trlgG= -0.094828 logG= -0.008798 TDE= -0.056618 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004875 tlogG= -0.022478 logG= -0.027353 Density= 0.214991 ETOT(band)= -0.231652 trlgG= -0.288004 logG= -0.027353 TDE= -0.170166 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.022297 logG= -0.027204 Density= 0.214229 ETOT(band)= -0.232429 trlgG= -0.289402 logG= -0.027204 TDE= -0.170153 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005040 tlogG= -0.021884 logG= -0.026924 Density= 0.216594 ETOT(band)= -0.230275 trlgG= -0.286445 logG= -0.026924 TDE= -0.170212 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.021210 logG= -0.026119 Density= 0.216313 ETOT(band)= -0.230028 trlgG= -0.285497 logG= -0.026119 TDE= -0.169787 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004950 tlogG= -0.021355 logG= -0.026306 Density= 0.216987 ETOT(band)= -0.229168 trlgG= -0.284241 logG= -0.026306 TDE= -0.169880 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.804618532622 eV TrLogG= -407.191035565394 eV Ratio to renormalize= 1.000179417422 rho-rho_expected=-0.003946475207 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964592730150275 0.940306850267930 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002307 tlogG= -0.011885 logG= -0.014193 Density= 0.053553 ETOT(band)= -0.058396 trlgG= -0.073251 logG= -0.014193 TDE= -0.085559 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.022174 logG= -0.027091 Density= 0.108341 ETOT(band)= -0.115420 trlgG= -0.143927 logG= -0.027091 TDE= -0.170449 logGD-logG0= -0.004508 tlogG= -0.024050 logG= -0.028558 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106372 ETOT(band)= -0.117143 trlgG= -0.146768 logG= -0.028558 TDE= -0.170848 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.023688 logG= -0.028939 logGD-logG0= -0.005062 tlogG= -0.023220 logG= -0.028281 Density= 0.108176 ETOT(band)= -0.116193 trlgG= -0.145838 logG= -0.028281 TDE= -0.171088 Density= 0.107214 ETOT(band)= -0.116992 trlgG= -0.146816 logG= -0.028939 TDE= -0.170932 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004996 tlogG= -0.022738 logG= -0.027734 Density= 0.108231 ETOT(band)= -0.115863 trlgG= -0.144971 logG= -0.027734 TDE= -0.170795 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004643 tlogG= -0.023673 logG= -0.028316 Density= 0.106581 ETOT(band)= -0.116949 trlgG= -0.146352 logG= -0.028316 TDE= -0.170778 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.022880 logG= -0.027955 Density= 0.107599 ETOT(band)= -0.116287 trlgG= -0.145310 logG= -0.027955 TDE= -0.170601 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 logGD-logG0= -0.002585 tlogG= -0.012034 logG= -0.014619 Density= 0.053754 ETOT(band)= -0.058529 trlgG= -0.073670 logG= -0.014619 TDE= -0.085651 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005851 logG= -0.001047 TDE= -0.007052 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.023978 logG= -0.028290 Density= 0.106153 ETOT(band)= -0.117111 trlgG= -0.146645 logG= -0.028290 TDE= -0.170885 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.012084 logG= -0.014486 logGD-logG0= -0.004586 tlogG= -0.023210 logG= -0.027795 Density= 0.106720 ETOT(band)= -0.116611 trlgG= -0.145439 logG= -0.027795 TDE= -0.170454 Density= 0.053576 ETOT(band)= -0.058540 trlgG= -0.073613 logG= -0.014486 TDE= -0.085638 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024055 logG= -0.028340 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106101 ETOT(band)= -0.117154 trlgG= -0.146759 logG= -0.028340 TDE= -0.170923 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001474 tlogG= -0.007813 logG= -0.009286 Density= 0.035487 ETOT(band)= -0.038921 trlgG= -0.048597 logG= -0.009286 TDE= -0.056872 logGD-logG0= -0.001393 tlogG= -0.008046 logG= -0.009438 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035308 ETOT(band)= -0.039073 trlgG= -0.048962 logG= -0.009438 TDE= -0.056995 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002314 tlogG= -0.011450 logG= -0.013764 Density= 0.053728 ETOT(band)= -0.058065 trlgG= -0.072486 logG= -0.013764 TDE= -0.085309 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011986 logG= -0.014527 logGD-logG0= -0.005111 tlogG= -0.023434 logG= -0.028545 Density= 0.108113 ETOT(band)= -0.116370 trlgG= -0.146257 logG= -0.028545 TDE= -0.171212 Density= 0.054128 ETOT(band)= -0.058291 trlgG= -0.073534 logG= -0.014527 TDE= -0.085792 logGD-logG0= -0.005116 tlogG= -0.023767 logG= -0.028883 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108159 ETOT(band)= -0.116532 trlgG= -0.146794 logG= -0.028883 TDE= -0.171433 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.022986 logG= -0.028055 Density= 0.108117 ETOT(band)= -0.116100 trlgG= -0.145482 logG= -0.028055 TDE= -0.170929 logGD-logG0= -0.002610 tlogG= -0.011990 logG= -0.014600 Density= 0.053974 ETOT(band)= -0.058412 trlgG= -0.073654 logG= -0.014600 TDE= -0.085763 logGD-logG0= -0.004794 tlogG= -0.023692 logG= -0.028487 logGD-logG0= -0.004828 tlogG= -0.022854 logG= -0.027682 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107361 ETOT(band)= -0.116713 trlgG= -0.146367 logG= -0.028487 TDE= -0.171008 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107730 ETOT(band)= -0.116082 trlgG= -0.144899 logG= -0.027682 TDE= -0.170527 logGD-logG0= -0.005244 tlogG= -0.024076 logG= -0.029319 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107625 ETOT(band)= -0.117059 trlgG= -0.147486 logG= -0.029319 TDE= -0.171425 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.023954 logG= -0.029057 Density= 0.108210 ETOT(band)= -0.116607 trlgG= -0.147072 logG= -0.029057 TDE= -0.171563 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022461 logG= -0.027462 logGD-logG0= -0.002384 tlogG= -0.010428 logG= -0.012812 Density= 0.054369 ETOT(band)= -0.057068 trlgG= -0.070681 logG= -0.012812 TDE= -0.084773 Density= 0.108186 ETOT(band)= -0.115726 trlgG= -0.144535 logG= -0.027462 TDE= -0.170609 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005254 tlogG= -0.024091 logG= -0.029345 logGD-logG0= -0.005092 tlogG= -0.023609 logG= -0.028701 Density= 0.107870 ETOT(band)= -0.116967 trlgG= -0.147550 logG= -0.029345 TDE= -0.171585 Density= 0.108185 ETOT(band)= -0.116417 trlgG= -0.146502 logG= -0.028701 TDE= -0.171336 logGD-logG0= -0.004961 tlogG= -0.023648 logG= -0.028609 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001678 tlogG= -0.007306 logG= -0.008984 Density= 0.035838 ETOT(band)= -0.038573 trlgG= -0.047900 logG= -0.008984 TDE= -0.056651 Density= 0.106961 ETOT(band)= -0.116921 trlgG= -0.146266 logG= -0.028609 TDE= -0.170586 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023907 logG= -0.029183 logGD-logG0= -0.001612 tlogG= -0.006993 logG= -0.008605 Density= 0.036190 ETOT(band)= -0.038124 trlgG= -0.047240 logG= -0.008605 TDE= -0.056543 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107734 ETOT(band)= -0.116925 trlgG= -0.147271 logG= -0.029183 TDE= -0.171400 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023971 logG= -0.029165 Density= 0.107427 ETOT(band)= -0.117045 trlgG= -0.147212 logG= -0.029165 TDE= -0.171207 logGD-logG0= -0.004976 tlogG= -0.022412 logG= -0.027389 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004672 tlogG= -0.022994 logG= -0.027666 Density= 0.106856 ETOT(band)= -0.116480 trlgG= -0.145176 logG= -0.027666 TDE= -0.170387 Density= 0.107618 ETOT(band)= -0.115953 trlgG= -0.144414 logG= -0.027389 TDE= -0.170280 logGD-logG0= -0.005286 tlogG= -0.024137 logG= -0.029423 logGD-logG0= -0.004672 tlogG= -0.023691 logG= -0.028363 Density= 0.106959 ETOT(band)= -0.116832 trlgG= -0.146457 logG= -0.028363 TDE= -0.171023 Density= 0.107793 ETOT(band)= -0.117055 trlgG= -0.147675 logG= -0.029423 TDE= -0.171593 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004698 tlogG= -0.023504 logG= -0.028202 Density= 0.106757 ETOT(band)= -0.116802 trlgG= -0.145923 logG= -0.028202 TDE= -0.170550 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.023898 logG= -0.028764 Density= 0.106740 ETOT(band)= -0.117103 trlgG= -0.146879 logG= -0.028764 TDE= -0.170935 logGD-logG0= -0.004845 tlogG= -0.024073 logG= -0.028918 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107039 ETOT(band)= -0.117085 trlgG= -0.147134 logG= -0.028918 TDE= -0.171184 logGD-logG0= -0.005090 tlogG= -0.023875 logG= -0.028965 Density= 0.108230 ETOT(band)= -0.116543 trlgG= -0.146923 logG= -0.028965 TDE= -0.171516 logGD-logG0= -0.005266 tlogG= -0.023201 logG= -0.028467 Density= 0.107666 ETOT(band)= -0.116535 trlgG= -0.146120 logG= -0.028467 TDE= -0.170931 logGD-logG0= -0.004705 tlogG= -0.022856 logG= -0.027561 logGD-logG0= -0.004958 tlogG= -0.024097 logG= -0.029055 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107362 ETOT(band)= -0.117024 trlgG= -0.147108 logG= -0.029055 TDE= -0.171182 Density= 0.107280 ETOT(band)= -0.116227 trlgG= -0.145025 logG= -0.027561 TDE= -0.170552 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.024062 logG= -0.029291 logGD-logG0= -0.005240 tlogG= -0.023874 logG= -0.029114 Density= 0.107898 ETOT(band)= -0.116793 trlgG= -0.147165 logG= -0.029114 TDE= -0.171444 Density= 0.107929 ETOT(band)= -0.116900 trlgG= -0.147461 logG= -0.029291 TDE= -0.171579 logGD-logG0= -0.009399 tlogG= -0.045769 logG= -0.055168 logGD-logG0= -0.009578 tlogG= -0.047168 logG= -0.056746 Density= 0.213734 ETOT(band)= -0.233721 trlgG= -0.292766 logG= -0.056746 TDE= -0.341786 logGD-logG0= -0.009713 tlogG= -0.048252 logG= -0.057965 Density= 0.214368 ETOT(band)= -0.234128 trlgG= -0.294343 logG= -0.057965 TDE= -0.342458 Density= 0.214985 ETOT(band)= -0.232287 trlgG= -0.289951 logG= -0.055168 TDE= -0.341168 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023583 logG= -0.028861 Density= 0.107782 ETOT(band)= -0.116697 trlgG= -0.146750 logG= -0.028861 TDE= -0.171225 logGD-logG0= -0.009858 tlogG= -0.047909 logG= -0.057767 logGD-logG0= -0.010435 tlogG= -0.047756 logG= -0.058191 Density= 0.214724 ETOT(band)= -0.234053 trlgG= -0.294177 logG= -0.058191 TDE= -0.342242 Density= 0.213936 ETOT(band)= -0.234166 trlgG= -0.294031 logG= -0.057767 TDE= -0.342130 logGD-logG0= -0.009679 tlogG= -0.045599 logG= -0.055277 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214330 ETOT(band)= -0.232637 trlgG= -0.290128 logG= -0.055277 TDE= -0.340912 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047165 logG= -0.056902 Density= 0.213745 ETOT(band)= -0.233766 trlgG= -0.292558 logG= -0.056902 TDE= -0.341428 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.047941 logG= -0.057404 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213240 ETOT(band)= -0.234230 trlgG= -0.293481 logG= -0.057404 TDE= -0.341599 logGD-logG0= -0.009351 tlogG= -0.047456 logG= -0.056807 logGD-logG0= -0.004867 tlogG= -0.021568 logG= -0.026435 logGD-logG0= -0.010390 tlogG= -0.048091 logG= -0.058481 Density= 0.214278 ETOT(band)= -0.233552 trlgG= -0.292897 logG= -0.056807 TDE= -0.342126 Density= 0.215037 ETOT(band)= -0.234106 trlgG= -0.294688 logG= -0.058481 TDE= -0.342618 Density= 0.108496 ETOT(band)= -0.114870 trlgG= -0.142799 logG= -0.026435 TDE= -0.170053 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010471 tlogG= -0.048025 logG= -0.058496 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.047796 logG= -0.058095 logGD-logG0= -0.010238 tlogG= -0.047989 logG= -0.058227 Density= 0.215040 ETOT(band)= -0.233961 trlgG= -0.294271 logG= -0.058227 TDE= -0.342457 Density= 0.215074 ETOT(band)= -0.234098 trlgG= -0.294715 logG= -0.058496 TDE= -0.342649 Density= 0.214623 ETOT(band)= -0.234046 trlgG= -0.294007 logG= -0.058095 TDE= -0.342119 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010098 tlogG= -0.047670 logG= -0.057767 logGD-logG0= -0.009982 tlogG= -0.048038 logG= -0.058020 Density= 0.214499 ETOT(band)= -0.234075 trlgG= -0.294092 logG= -0.058020 TDE= -0.342217 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213917 ETOT(band)= -0.234153 trlgG= -0.293783 logG= -0.057767 TDE= -0.341872 logGD-logG0= -0.009783 tlogG= -0.045658 logG= -0.055442 logGD-logG0= -0.010455 tlogG= -0.047949 logG= -0.058405 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215861 ETOT(band)= -0.233670 trlgG= -0.294624 logG= -0.058405 TDE= -0.343038 Density= 0.215117 ETOT(band)= -0.232363 trlgG= -0.289943 logG= -0.055442 TDE= -0.340952 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009035 tlogG= -0.047640 logG= -0.056675 Density= 0.212893 ETOT(band)= -0.234020 trlgG= -0.292838 logG= -0.056675 TDE= -0.341513 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.047537 logG= -0.058066 Density= 0.215666 ETOT(band)= -0.233554 trlgG= -0.294061 logG= -0.058066 TDE= -0.342717 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047319 logG= -0.057644 Density= 0.214229 ETOT(band)= -0.233946 trlgG= -0.293259 logG= -0.057644 TDE= -0.341626 logGD-logG0= -0.010584 tlogG= -0.048156 logG= -0.058739 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215390 ETOT(band)= -0.234123 trlgG= -0.295153 logG= -0.058739 TDE= -0.342999 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010493 tlogG= -0.047432 logG= -0.057925 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215434 ETOT(band)= -0.233594 trlgG= -0.293820 logG= -0.057925 TDE= -0.342503 logGD-logG0= -0.002445 tlogG= -0.010843 logG= -0.013288 Density= 0.054054 ETOT(band)= -0.057585 trlgG= -0.071528 logG= -0.013288 TDE= -0.084989 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010096 tlogG= -0.046422 logG= -0.056518 Density= 0.215183 ETOT(band)= -0.232926 trlgG= -0.291575 logG= -0.056518 TDE= -0.341540 logGD-logG0= -0.010510 tlogG= -0.047898 logG= -0.058408 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215733 ETOT(band)= -0.233743 trlgG= -0.294625 logG= -0.058408 TDE= -0.342973 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009706 tlogG= -0.047233 logG= -0.056940 Density= 0.214444 ETOT(band)= -0.233513 trlgG= -0.292671 logG= -0.056940 TDE= -0.341849 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010535 tlogG= -0.046889 logG= -0.057425 Density= 0.215396 ETOT(band)= -0.233317 trlgG= -0.293019 logG= -0.057425 TDE= -0.342183 logGD-logG0= -0.010008 tlogG= -0.047162 logG= -0.057170 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215118 ETOT(band)= -0.233327 trlgG= -0.292593 logG= -0.057170 TDE= -0.341874 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.021879 logG= -0.026832 Density= 0.108306 ETOT(band)= -0.115236 trlgG= -0.143478 logG= -0.026832 TDE= -0.170242 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004786 tlogG= -0.020993 logG= -0.025779 Density= 0.108692 ETOT(band)= -0.114282 trlgG= -0.141642 logG= -0.025779 TDE= -0.169649 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005033 tlogG= -0.021822 logG= -0.026855 Density= 0.107772 ETOT(band)= -0.115525 trlgG= -0.143539 logG= -0.026855 TDE= -0.170015 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021699 logG= -0.026672 Density= 0.107914 ETOT(band)= -0.115333 trlgG= -0.143230 logG= -0.026672 TDE= -0.169959 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009941 tlogG= -0.043398 logG= -0.053339 Density= 0.216243 ETOT(band)= -0.230455 trlgG= -0.286436 logG= -0.053339 TDE= -0.340105 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001248 tlogG= -0.005749 logG= -0.006997 Density= 0.080623 ETOT(band)= -0.087391 trlgG= -0.109594 logG= -0.006997 TDE= -0.042742 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023961 logG= -0.028998 Density= 0.214307 ETOT(band)= -0.234080 trlgG= -0.293866 logG= -0.028998 TDE= -0.171047 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.022444 logG= -0.027521 Density= 0.216336 ETOT(band)= -0.231271 trlgG= -0.288558 logG= -0.027521 TDE= -0.170550 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023419 logG= -0.028587 Density= 0.216163 ETOT(band)= -0.232643 trlgG= -0.292159 logG= -0.028587 TDE= -0.171172 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.022972 logG= -0.028112 Density= 0.216191 ETOT(band)= -0.232069 trlgG= -0.290543 logG= -0.028112 TDE= -0.170884 logGD-logG0= -0.004536 tlogG= -0.023977 logG= -0.028513 Density= 0.212776 ETOT(band)= -0.234256 trlgG= -0.293442 logG= -0.028513 TDE= -0.170816 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004742 tlogG= -0.023248 logG= -0.027990 Density= 0.213467 ETOT(band)= -0.233599 trlgG= -0.292178 logG= -0.027990 TDE= -0.170728 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023199 logG= -0.028327 Density= 0.214835 ETOT(band)= -0.232939 trlgG= -0.291173 logG= -0.028327 TDE= -0.170602 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005940 logG= -0.007208 Density= 0.080819 ETOT(band)= -0.087642 trlgG= -0.110346 logG= -0.007208 TDE= -0.042862 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004447 tlogG= -0.023591 logG= -0.028038 Density= 0.212587 ETOT(band)= -0.233978 trlgG= -0.292693 logG= -0.028038 TDE= -0.170679 logGD-logG0= -0.004392 tlogG= -0.023744 logG= -0.028136 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213055 ETOT(band)= -0.233570 trlgG= -0.291718 logG= -0.028136 TDE= -0.170764 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005857 logG= -0.007119 Density= 0.080636 ETOT(band)= -0.087607 trlgG= -0.110149 logG= -0.007119 TDE= -0.042808 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005620 logG= -0.006848 Density= 0.080825 ETOT(band)= -0.086963 trlgG= -0.108591 logG= -0.006848 TDE= -0.042666 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007590 logG= -0.009148 Density= 0.071486 ETOT(band)= -0.077343 trlgG= -0.096140 logG= -0.009148 TDE= -0.056732 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005985 logG= -0.007251 Density= 0.081047 ETOT(band)= -0.087545 trlgG= -0.110400 logG= -0.007251 TDE= -0.042892 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024005 logG= -0.029190 Density= 0.215652 ETOT(band)= -0.233843 trlgG= -0.294779 logG= -0.029190 TDE= -0.171561 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.023487 logG= -0.028698 Density= 0.215181 ETOT(band)= -0.233313 trlgG= -0.292861 logG= -0.028698 TDE= -0.171151 logGD-logG0= -0.001419 tlogG= -0.007967 logG= -0.009386 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070856 ETOT(band)= -0.077944 trlgG= -0.097438 logG= -0.009386 TDE= -0.056957 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023803 logG= -0.029022 Density= 0.215300 ETOT(band)= -0.233748 trlgG= -0.294125 logG= -0.029022 TDE= -0.171408 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.024003 logG= -0.029152 Density= 0.216319 ETOT(band)= -0.233325 trlgG= -0.294304 logG= -0.029152 TDE= -0.171578 logGD-logG0= -0.005278 tlogG= -0.024126 logG= -0.029404 Density= 0.215684 ETOT(band)= -0.233999 trlgG= -0.295194 logG= -0.029404 TDE= -0.171593 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001195 tlogG= -0.005308 logG= -0.006503 logGD-logG0= -0.005034 tlogG= -0.023849 logG= -0.028883 Density= 0.081545 ETOT(band)= -0.085682 trlgG= -0.106194 logG= -0.006503 TDE= -0.042457 Density= 0.215462 ETOT(band)= -0.233744 trlgG= -0.294228 logG= -0.028883 TDE= -0.171096 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004258 tlogG= -0.024136 logG= -0.028394 logGD-logG0= -0.004731 tlogG= -0.024010 logG= -0.028741 Density= 0.321516 ETOT(band)= -0.351086 trlgG= -0.441271 logG= -0.028741 TDE= -0.171209 Density= 0.212140 ETOT(band)= -0.234359 trlgG= -0.293641 logG= -0.028394 TDE= -0.170962 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010326 tlogG= -0.047794 logG= -0.058120 Density= 0.324297 ETOT(band)= -0.349893 trlgG= -0.440954 logG= -0.058120 TDE= -0.342997 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005172 logG= -0.006349 Density= 0.062531 ETOT(band)= -0.067540 trlgG= -0.084195 logG= -0.006349 TDE= -0.042355 logGD-logG0= -0.005161 tlogG= -0.023766 logG= -0.028927 Density= 0.216243 ETOT(band)= -0.233023 trlgG= -0.293367 logG= -0.028927 TDE= -0.171410 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001568 tlogG= -0.006875 logG= -0.008444 logGD-logG0= -0.004875 tlogG= -0.023887 logG= -0.028762 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040841 ETOT(band)= -0.042671 trlgG= -0.052790 logG= -0.008444 TDE= -0.056457 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213756 ETOT(band)= -0.233994 trlgG= -0.292957 logG= -0.028762 TDE= -0.170776 logGD-logG0= -0.010609 tlogG= -0.048049 logG= -0.058658 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.024161 logG= -0.029138 Density= 0.214708 ETOT(band)= -0.234152 trlgG= -0.294482 logG= -0.029138 TDE= -0.171220 Density= 0.323196 ETOT(band)= -0.350964 trlgG= -0.442296 logG= -0.058658 TDE= -0.342989 logGD-logG0= -0.010372 tlogG= -0.047243 logG= -0.057615 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024089 logG= -0.029296 Density= 0.324080 ETOT(band)= -0.349525 trlgG= -0.439606 logG= -0.057615 TDE= -0.342605 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323011 ETOT(band)= -0.351172 trlgG= -0.442599 logG= -0.029296 TDE= -0.171407 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.024167 logG= -0.029169 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322390 ETOT(band)= -0.351199 trlgG= -0.441949 logG= -0.029169 TDE= -0.171215 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023894 logG= -0.028456 Density= 0.213250 ETOT(band)= -0.233846 trlgG= -0.292448 logG= -0.028456 TDE= -0.170767 logGD-logG0= -0.010369 tlogG= -0.046423 logG= -0.056792 Density= 0.323946 ETOT(band)= -0.348868 trlgG= -0.437519 logG= -0.056792 TDE= -0.342048 logGD-logG0= -0.009601 tlogG= -0.046614 logG= -0.056214 Density= 0.322656 ETOT(band)= -0.348991 trlgG= -0.436335 logG= -0.056214 TDE= -0.341578 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.023249 logG= -0.028237 Density= 0.321654 ETOT(band)= -0.350544 trlgG= -0.439545 logG= -0.028237 TDE= -0.170838 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004643 tlogG= -0.023372 logG= -0.028014 logGD-logG0= -0.005311 tlogG= -0.023961 logG= -0.029272 logGD-logG0= -0.010095 tlogG= -0.045639 logG= -0.055733 Density= 0.323609 ETOT(band)= -0.350637 trlgG= -0.442042 logG= -0.029272 TDE= -0.171465 Density= 0.323994 ETOT(band)= -0.347924 trlgG= -0.434899 logG= -0.055733 TDE= -0.341424 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321587 ETOT(band)= -0.350037 trlgG= -0.438694 logG= -0.028014 TDE= -0.170884 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023902 logG= -0.029228 logGD-logG0= -0.001680 tlogG= -0.007118 logG= -0.008798 Density= 0.215611 ETOT(band)= -0.233745 trlgG= -0.294507 logG= -0.029228 TDE= -0.171417 Density= 0.072218 ETOT(band)= -0.076475 trlgG= -0.094827 logG= -0.008798 TDE= -0.056618 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004698 tlogG= -0.024011 logG= -0.028709 Density= 0.214088 ETOT(band)= -0.234071 trlgG= -0.294084 logG= -0.028709 TDE= -0.171214 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004611 tlogG= -0.023375 logG= -0.027985 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022910 logG= -0.027836 Density= 0.214764 ETOT(band)= -0.232385 trlgG= -0.289643 logG= -0.027836 TDE= -0.170415 Density= 0.214151 ETOT(band)= -0.233358 trlgG= -0.292291 logG= -0.027985 TDE= -0.170892 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023840 logG= -0.028634 Density= 0.213541 ETOT(band)= -0.234133 trlgG= -0.293695 logG= -0.028634 TDE= -0.171032 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023960 logG= -0.029102 Density= 0.216353 ETOT(band)= -0.233221 trlgG= -0.294072 logG= -0.029102 TDE= -0.171551 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010061 tlogG= -0.048157 logG= -0.058219 Density= 0.429234 ETOT(band)= -0.468238 trlgG= -0.588525 logG= -0.058219 TDE= -0.342280 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023359 logG= -0.028753 Density= 0.215074 ETOT(band)= -0.233339 trlgG= -0.292668 logG= -0.028753 TDE= -0.170946 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.023688 logG= -0.029062 Density= 0.215374 ETOT(band)= -0.233597 trlgG= -0.293809 logG= -0.029062 TDE= -0.171239 logGD-logG0= -0.009558 tlogG= -0.047848 logG= -0.057406 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009421 tlogG= -0.046616 logG= -0.056036 Density= 0.428032 ETOT(band)= -0.466822 trlgG= -0.584360 logG= -0.056036 TDE= -0.341603 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427972 ETOT(band)= -0.468126 trlgG= -0.587754 logG= -0.057406 TDE= -0.342233 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.047965 logG= -0.058196 logGD-logG0= -0.010195 tlogG= -0.048230 logG= -0.058425 logGD-logG0= -0.009365 tlogG= -0.046722 logG= -0.056087 Density= 0.427828 ETOT(band)= -0.466099 trlgG= -0.581752 logG= -0.056087 TDE= -0.341186 Density= 0.429138 ETOT(band)= -0.468200 trlgG= -0.588168 logG= -0.058196 TDE= -0.342118 Density= 0.429970 ETOT(band)= -0.468243 trlgG= -0.589291 logG= -0.058425 TDE= -0.342493 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010171 tlogG= -0.047677 logG= -0.057848 Density= 0.428226 ETOT(band)= -0.468109 trlgG= -0.587085 logG= -0.057848 TDE= -0.341874 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010405 tlogG= -0.048080 logG= -0.058485 Density= 0.430076 ETOT(band)= -0.468073 trlgG= -0.588964 logG= -0.058485 TDE= -0.342618 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009519 tlogG= -0.047779 logG= -0.057298 Density= 0.427111 ETOT(band)= -0.467888 trlgG= -0.585738 logG= -0.057298 TDE= -0.341466 logGD-logG0= -0.009734 tlogG= -0.047862 logG= -0.057596 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429070 ETOT(band)= -0.467902 trlgG= -0.587728 logG= -0.057596 TDE= -0.342220 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.021305 logG= -0.026173 logGD-logG0= -0.009565 tlogG= -0.047660 logG= -0.057225 Density= 0.426607 ETOT(band)= -0.468338 trlgG= -0.586886 logG= -0.057225 TDE= -0.341764 logGD-logG0= -0.010678 tlogG= -0.047700 logG= -0.058378 Density= 0.431023 ETOT(band)= -0.467440 trlgG= -0.588612 logG= -0.058378 TDE= -0.342742 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162622 ETOT(band)= -0.172976 trlgG= -0.215884 logG= -0.026173 TDE= -0.169865 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.047739 logG= -0.058312 Density= 0.430683 ETOT(band)= -0.467496 trlgG= -0.588251 logG= -0.058312 TDE= -0.342635 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009849 tlogG= -0.046409 logG= -0.056258 Density= 0.429466 ETOT(band)= -0.465529 trlgG= -0.581429 logG= -0.056258 TDE= -0.341298 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.048026 logG= -0.058628 Density= 0.431263 ETOT(band)= -0.467723 trlgG= -0.589605 logG= -0.058628 TDE= -0.343007 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009914 tlogG= -0.047568 logG= -0.057482 Density= 0.428542 ETOT(band)= -0.467453 trlgG= -0.586126 logG= -0.057482 TDE= -0.341919 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010234 tlogG= -0.046939 logG= -0.057173 Density= 0.429813 ETOT(band)= -0.466445 trlgG= -0.584124 logG= -0.057173 TDE= -0.341586 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008874 tlogG= -0.048105 logG= -0.056978 Density= 0.425470 ETOT(band)= -0.468311 trlgG= -0.586370 logG= -0.056978 TDE= -0.341747 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.022332 logG= -0.027126 logGD-logG0= -0.005040 tlogG= -0.021884 logG= -0.026924 Density= 0.216593 ETOT(band)= -0.230272 trlgG= -0.286441 logG= -0.026924 TDE= -0.170210 Density= 0.322823 ETOT(band)= -0.347960 trlgG= -0.433945 logG= -0.027126 TDE= -0.170232 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010158 tlogG= -0.047579 logG= -0.057737 logGD-logG0= -0.010633 tlogG= -0.047277 logG= -0.057910 Density= 0.429943 ETOT(band)= -0.467092 trlgG= -0.586055 logG= -0.057737 TDE= -0.342031 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430413 ETOT(band)= -0.467072 trlgG= -0.586779 logG= -0.057910 TDE= -0.342251 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005469 logG= -0.006684 Density= 0.081187 ETOT(band)= -0.086350 trlgG= -0.107353 logG= -0.006684 TDE= -0.042568 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009886 tlogG= -0.044631 logG= -0.054517 Density= 0.324236 ETOT(band)= -0.346654 trlgG= -0.431888 logG= -0.054517 TDE= -0.340746 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.022296 logG= -0.027204 Density= 0.214228 ETOT(band)= -0.232426 trlgG= -0.289397 logG= -0.027204 TDE= -0.170151 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004754 tlogG= -0.022331 logG= -0.027085 Density= 0.214995 ETOT(band)= -0.231938 trlgG= -0.289045 logG= -0.027085 TDE= -0.170238 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004876 tlogG= -0.022478 logG= -0.027353 Density= 0.214990 ETOT(band)= -0.231649 trlgG= -0.288000 logG= -0.027353 TDE= -0.170164 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.021355 logG= -0.026305 Density= 0.216985 ETOT(band)= -0.229165 trlgG= -0.284237 logG= -0.026305 TDE= -0.169878 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.021210 logG= -0.026119 Density= 0.216311 ETOT(band)= -0.230025 trlgG= -0.285493 logG= -0.026119 TDE= -0.169785 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009735 tlogG= -0.044633 logG= -0.054368 Density= 0.431540 ETOT(band)= -0.462055 trlgG= -0.574648 logG= -0.054368 TDE= -0.340383 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.800031708029 eV TrLogG= -407.183601236021 eV Ratio to renormalize= 1.000185755271 rho-rho_expected=-0.004085856984 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964604500991895 0.940302352310900 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002308 tlogG= -0.011885 logG= -0.014193 Density= 0.053553 ETOT(band)= -0.058395 trlgG= -0.073249 logG= -0.014193 TDE= -0.085556 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004510 tlogG= -0.024049 logG= -0.028559 Density= 0.106372 ETOT(band)= -0.117140 trlgG= -0.146764 logG= -0.028559 TDE= -0.170843 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004919 tlogG= -0.022175 logG= -0.027094 Density= 0.108339 ETOT(band)= -0.115420 trlgG= -0.143929 logG= -0.027094 TDE= -0.170446 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023687 logG= -0.028940 Density= 0.107213 ETOT(band)= -0.116990 trlgG= -0.146815 logG= -0.028940 TDE= -0.170929 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004645 tlogG= -0.023672 logG= -0.028317 Density= 0.106581 ETOT(band)= -0.116946 trlgG= -0.146349 logG= -0.028317 TDE= -0.170773 logGD-logG0= -0.004963 tlogG= -0.023647 logG= -0.028610 Density= 0.106960 ETOT(band)= -0.116918 trlgG= -0.146264 logG= -0.028610 TDE= -0.170583 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.023897 logG= -0.028765 Density= 0.106739 ETOT(band)= -0.117101 trlgG= -0.146876 logG= -0.028765 TDE= -0.170930 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.023201 logG= -0.028468 Density= 0.107664 ETOT(band)= -0.116534 trlgG= -0.146119 logG= -0.028468 TDE= -0.170928 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.035308 ETOT(band)= -0.039072 trlgG= -0.048960 logG= -0.009439 TDE= -0.056993 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004287 tlogG= -0.024054 logG= -0.028341 Density= 0.106102 ETOT(band)= -0.117151 trlgG= -0.146754 logG= -0.028341 TDE= -0.170917 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004978 tlogG= -0.022413 logG= -0.027391 Density= 0.107616 ETOT(band)= -0.115952 trlgG= -0.144415 logG= -0.027391 TDE= -0.170277 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.022993 logG= -0.027668 logGD-logG0= -0.004700 tlogG= -0.023503 logG= -0.028204 Density= 0.106855 ETOT(band)= -0.116478 trlgG= -0.145174 logG= -0.027668 TDE= -0.170383 Density= 0.106756 ETOT(band)= -0.116800 trlgG= -0.145920 logG= -0.028204 TDE= -0.170544 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010429 logG= -0.012815 Density= 0.054367 ETOT(band)= -0.057069 trlgG= -0.070684 logG= -0.012815 TDE= -0.084773 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001613 tlogG= -0.006994 logG= -0.008606 Density= 0.036189 ETOT(band)= -0.038124 trlgG= -0.047241 logG= -0.008606 TDE= -0.056543 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002404 tlogG= -0.012083 logG= -0.014487 Density= 0.053575 ETOT(band)= -0.058539 trlgG= -0.073611 logG= -0.014487 TDE= -0.085636 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005851 logG= -0.001047 TDE= -0.007052 logGD-logG0= -0.002316 tlogG= -0.011450 logG= -0.013765 Density= 0.053728 ETOT(band)= -0.058064 trlgG= -0.072486 logG= -0.013765 TDE= -0.085307 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007812 logG= -0.009287 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.035487 ETOT(band)= -0.038921 trlgG= -0.048596 logG= -0.009287 TDE= -0.056870 logGD-logG0= -0.004976 tlogG= -0.021699 logG= -0.026675 Density= 0.107913 ETOT(band)= -0.115332 trlgG= -0.143232 logG= -0.026675 TDE= -0.169958 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002542 tlogG= -0.011986 logG= -0.014528 Density= 0.054127 ETOT(band)= -0.058291 trlgG= -0.073534 logG= -0.014528 TDE= -0.085790 logGD-logG0= -0.002586 tlogG= -0.012034 logG= -0.014619 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053753 ETOT(band)= -0.058528 trlgG= -0.073669 logG= -0.014619 TDE= -0.085649 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.023434 logG= -0.028547 Density= 0.108110 ETOT(band)= -0.116369 trlgG= -0.146257 logG= -0.028547 TDE= -0.171209 logGD-logG0= -0.005002 tlogG= -0.022462 logG= -0.027464 Density= 0.108183 ETOT(band)= -0.115726 trlgG= -0.144536 logG= -0.027464 TDE= -0.170607 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.024075 logG= -0.029320 logGD-logG0= -0.004314 tlogG= -0.023977 logG= -0.028291 Density= 0.106153 ETOT(band)= -0.117107 trlgG= -0.146641 logG= -0.028291 TDE= -0.170880 logGD-logG0= -0.004797 tlogG= -0.023692 logG= -0.028488 Density= 0.107360 ETOT(band)= -0.116711 trlgG= -0.146365 logG= -0.028488 TDE= -0.171003 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.023953 logG= -0.029058 Density= 0.108207 ETOT(band)= -0.116606 trlgG= -0.147072 logG= -0.029058 TDE= -0.171560 logGD-logG0= -0.005256 tlogG= -0.024090 logG= -0.029345 Density= 0.107623 ETOT(band)= -0.117057 trlgG= -0.147484 logG= -0.029320 TDE= -0.171421 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107867 ETOT(band)= -0.116965 trlgG= -0.147548 logG= -0.029345 TDE= -0.171581 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023208 logG= -0.027797 Density= 0.106720 ETOT(band)= -0.116608 trlgG= -0.145435 logG= -0.027797 TDE= -0.170448 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.022987 logG= -0.028057 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108115 ETOT(band)= -0.116099 trlgG= -0.145483 logG= -0.028057 TDE= -0.170926 logGD-logG0= -0.004830 tlogG= -0.022854 logG= -0.027684 logGD-logG0= -0.005118 tlogG= -0.023767 logG= -0.028885 logGD-logG0= -0.002611 tlogG= -0.011989 logG= -0.014601 Density= 0.053972 ETOT(band)= -0.058412 trlgG= -0.073654 logG= -0.014601 TDE= -0.085761 Density= 0.108156 ETOT(band)= -0.116531 trlgG= -0.146793 logG= -0.028885 TDE= -0.171430 Density= 0.107729 ETOT(band)= -0.116081 trlgG= -0.144898 logG= -0.027684 TDE= -0.170524 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.023220 logG= -0.028283 Density= 0.108173 ETOT(band)= -0.116193 trlgG= -0.145839 logG= -0.028283 TDE= -0.171085 logGD-logG0= -0.005094 tlogG= -0.023609 logG= -0.028703 Density= 0.108182 ETOT(band)= -0.116416 trlgG= -0.146502 logG= -0.028703 TDE= -0.171333 logGD-logG0= -0.005196 tlogG= -0.023970 logG= -0.029166 Density= 0.107425 ETOT(band)= -0.117043 trlgG= -0.147210 logG= -0.029166 TDE= -0.171203 logGD-logG0= -0.005278 tlogG= -0.023906 logG= -0.029184 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.023875 logG= -0.028967 Density= 0.108227 ETOT(band)= -0.116542 trlgG= -0.146923 logG= -0.028967 TDE= -0.171512 Density= 0.107731 ETOT(band)= -0.116924 trlgG= -0.147269 logG= -0.029184 TDE= -0.171396 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.022738 logG= -0.027736 logGD-logG0= -0.005077 tlogG= -0.022880 logG= -0.027957 Density= 0.107597 ETOT(band)= -0.116286 trlgG= -0.145310 logG= -0.027957 TDE= -0.170598 logGD-logG0= -0.004675 tlogG= -0.023690 logG= -0.028364 Density= 0.106958 ETOT(band)= -0.116829 trlgG= -0.146454 logG= -0.028364 TDE= -0.171018 Density= 0.108228 ETOT(band)= -0.115863 trlgG= -0.144972 logG= -0.027736 TDE= -0.170793 logGD-logG0= -0.004847 tlogG= -0.024072 logG= -0.028919 Density= 0.107038 ETOT(band)= -0.117083 trlgG= -0.147131 logG= -0.028919 TDE= -0.171179 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.024136 logG= -0.029424 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107790 ETOT(band)= -0.117053 trlgG= -0.147673 logG= -0.029424 TDE= -0.171589 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.024096 logG= -0.029056 Density= 0.107360 ETOT(band)= -0.117022 trlgG= -0.147106 logG= -0.029056 TDE= -0.171177 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.024061 logG= -0.029292 Density= 0.107926 ETOT(band)= -0.116898 trlgG= -0.147460 logG= -0.029292 TDE= -0.171575 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.022856 logG= -0.027563 Density= 0.107279 ETOT(band)= -0.116225 trlgG= -0.145023 logG= -0.027563 TDE= -0.170547 logGD-logG0= -0.005242 tlogG= -0.023873 logG= -0.029115 Density= 0.107895 ETOT(band)= -0.116792 trlgG= -0.147164 logG= -0.029115 TDE= -0.171441 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023583 logG= -0.028862 logGD-logG0= -0.009717 tlogG= -0.048250 logG= -0.057967 Density= 0.107780 ETOT(band)= -0.116696 trlgG= -0.146749 logG= -0.028862 TDE= -0.171222 Density= 0.214365 ETOT(band)= -0.234124 trlgG= -0.294337 logG= -0.057967 TDE= -0.342449 logGD-logG0= -0.009404 tlogG= -0.045768 logG= -0.055173 Density= 0.214982 ETOT(band)= -0.232284 trlgG= -0.289948 logG= -0.055173 TDE= -0.341160 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009040 tlogG= -0.047638 logG= -0.056678 Density= 0.212893 ETOT(band)= -0.234015 trlgG= -0.292830 logG= -0.056678 TDE= -0.341502 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009862 tlogG= -0.047907 logG= -0.057769 Density= 0.213934 ETOT(band)= -0.234162 trlgG= -0.294024 logG= -0.057769 TDE= -0.342121 logGD-logG0= -0.009583 tlogG= -0.047166 logG= -0.056749 Density= 0.213733 ETOT(band)= -0.233717 trlgG= -0.292761 logG= -0.056749 TDE= -0.341777 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010302 tlogG= -0.047794 logG= -0.058097 logGD-logG0= -0.009683 tlogG= -0.045598 logG= -0.055282 Density= 0.214329 ETOT(band)= -0.232634 trlgG= -0.290125 logG= -0.055282 TDE= -0.340904 Density= 0.214619 ETOT(band)= -0.234043 trlgG= -0.294003 logG= -0.058097 TDE= -0.342111 logGD-logG0= -0.010438 tlogG= -0.047754 logG= -0.058192 logGD-logG0= -0.009356 tlogG= -0.047454 logG= -0.056810 Density= 0.214276 ETOT(band)= -0.233548 trlgG= -0.292892 logG= -0.056810 TDE= -0.342117 Density= 0.214720 ETOT(band)= -0.234049 trlgG= -0.294173 logG= -0.058192 TDE= -0.342235 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010393 tlogG= -0.048089 logG= -0.058482 Density= 0.215033 ETOT(band)= -0.234103 trlgG= -0.294684 logG= -0.058482 TDE= -0.342611 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007306 logG= -0.008985 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.047988 logG= -0.058229 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215036 ETOT(band)= -0.233958 trlgG= -0.294268 logG= -0.058229 TDE= -0.342449 Density= 0.035838 ETOT(band)= -0.038572 trlgG= -0.047901 logG= -0.008985 TDE= -0.056650 logGD-logG0= -0.009986 tlogG= -0.048036 logG= -0.058022 logGD-logG0= -0.010101 tlogG= -0.047668 logG= -0.057769 Density= 0.213914 ETOT(band)= -0.234149 trlgG= -0.293777 logG= -0.057769 TDE= -0.341863 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010474 tlogG= -0.048023 logG= -0.058497 Density= 0.215069 ETOT(band)= -0.234094 trlgG= -0.294711 logG= -0.058497 TDE= -0.342641 Density= 0.214495 ETOT(band)= -0.234071 trlgG= -0.294087 logG= -0.058022 TDE= -0.342208 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009742 tlogG= -0.047163 logG= -0.056905 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213744 ETOT(band)= -0.233761 trlgG= -0.292553 logG= -0.056905 TDE= -0.341419 logGD-logG0= -0.009788 tlogG= -0.045658 logG= -0.055446 Density= 0.215114 ETOT(band)= -0.232360 trlgG= -0.289941 logG= -0.055446 TDE= -0.340944 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010533 tlogG= -0.047535 logG= -0.058068 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215661 ETOT(band)= -0.233551 trlgG= -0.294059 logG= -0.058068 TDE= -0.342710 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010459 tlogG= -0.047948 logG= -0.058407 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215856 ETOT(band)= -0.233668 trlgG= -0.294621 logG= -0.058407 TDE= -0.343031 logGD-logG0= -0.001249 tlogG= -0.005749 logG= -0.006998 Density= 0.080622 ETOT(band)= -0.087390 trlgG= -0.109593 logG= -0.006998 TDE= -0.042742 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010496 tlogG= -0.047431 logG= -0.057927 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215429 ETOT(band)= -0.233591 trlgG= -0.293818 logG= -0.057927 TDE= -0.342496 logGD-logG0= -0.010586 tlogG= -0.048154 logG= -0.058740 logGD-logG0= -0.010100 tlogG= -0.046422 logG= -0.056522 Density= 0.215385 ETOT(band)= -0.234120 trlgG= -0.295148 logG= -0.058740 TDE= -0.342991 Density= 0.215179 ETOT(band)= -0.232923 trlgG= -0.291575 logG= -0.056522 TDE= -0.341534 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010513 tlogG= -0.047896 logG= -0.058410 Density= 0.215728 ETOT(band)= -0.233740 trlgG= -0.294622 logG= -0.058410 TDE= -0.342966 logGD-logG0= -0.009711 tlogG= -0.047232 logG= -0.056942 logGD-logG0= -0.002446 tlogG= -0.010843 logG= -0.013289 Density= 0.214442 ETOT(band)= -0.233510 trlgG= -0.292666 logG= -0.056942 TDE= -0.341840 Density= 0.054053 ETOT(band)= -0.057585 trlgG= -0.071529 logG= -0.013289 TDE= -0.084988 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010328 tlogG= -0.047318 logG= -0.057646 logGD-logG0= -0.010538 tlogG= -0.046889 logG= -0.057427 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214226 ETOT(band)= -0.233942 trlgG= -0.293254 logG= -0.057646 TDE= -0.341619 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215391 ETOT(band)= -0.233314 trlgG= -0.293018 logG= -0.057427 TDE= -0.342177 logGD-logG0= -0.009468 tlogG= -0.047938 logG= -0.057406 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213239 ETOT(band)= -0.234225 trlgG= -0.293475 logG= -0.057406 TDE= -0.341590 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010012 tlogG= -0.047161 logG= -0.057173 Density= 0.215114 ETOT(band)= -0.233324 trlgG= -0.292591 logG= -0.057173 TDE= -0.341867 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.021570 logG= -0.026439 Density= 0.108493 ETOT(band)= -0.114870 trlgG= -0.142802 logG= -0.026439 TDE= -0.170051 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004955 tlogG= -0.021880 logG= -0.026835 Density= 0.108304 ETOT(band)= -0.115236 trlgG= -0.143481 logG= -0.026835 TDE= -0.170240 logGD-logG0= -0.004788 tlogG= -0.020996 logG= -0.025783 Density= 0.108689 ETOT(band)= -0.114283 trlgG= -0.141646 logG= -0.025783 TDE= -0.169648 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004538 tlogG= -0.023976 logG= -0.028514 Density= 0.212776 ETOT(band)= -0.234250 trlgG= -0.293433 logG= -0.028514 TDE= -0.170810 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023960 logG= -0.028999 Density= 0.214304 ETOT(band)= -0.234076 trlgG= -0.293861 logG= -0.028999 TDE= -0.171042 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.021823 logG= -0.026858 Density= 0.107770 ETOT(band)= -0.115524 trlgG= -0.143541 logG= -0.026858 TDE= -0.170013 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004877 tlogG= -0.023886 logG= -0.028763 logGD-logG0= -0.004744 tlogG= -0.023248 logG= -0.027992 Density= 0.213466 ETOT(band)= -0.233594 trlgG= -0.292172 logG= -0.027992 TDE= -0.170724 Density= 0.213754 ETOT(band)= -0.233989 trlgG= -0.292953 logG= -0.028763 TDE= -0.170772 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022444 logG= -0.027524 Density= 0.216331 ETOT(band)= -0.231270 trlgG= -0.288561 logG= -0.027524 TDE= -0.170548 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.023839 logG= -0.028635 Density= 0.213539 ETOT(band)= -0.234128 trlgG= -0.293688 logG= -0.028635 TDE= -0.171028 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005395 tlogG= -0.023359 logG= -0.028755 Density= 0.215070 ETOT(band)= -0.233336 trlgG= -0.292666 logG= -0.028755 TDE= -0.170942 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009946 tlogG= -0.043399 logG= -0.053345 Density= 0.216239 ETOT(band)= -0.230454 trlgG= -0.286441 logG= -0.053345 TDE= -0.340101 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004261 tlogG= -0.024134 logG= -0.028395 Density= 0.212141 ETOT(band)= -0.234352 trlgG= -0.293631 logG= -0.028395 TDE= -0.170956 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005173 logG= -0.006350 Density= 0.062530 ETOT(band)= -0.067540 trlgG= -0.084194 logG= -0.006350 TDE= -0.042355 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004564 tlogG= -0.023893 logG= -0.028457 Density= 0.213249 ETOT(band)= -0.233841 trlgG= -0.292441 logG= -0.028457 TDE= -0.170762 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022909 logG= -0.027838 Density= 0.214762 ETOT(band)= -0.232382 trlgG= -0.289643 logG= -0.027838 TDE= -0.170411 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005309 logG= -0.006504 Density= 0.081543 ETOT(band)= -0.085683 trlgG= -0.106197 logG= -0.006504 TDE= -0.042457 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.022296 logG= -0.027206 Density= 0.214227 ETOT(band)= -0.232422 trlgG= -0.289394 logG= -0.027206 TDE= -0.170147 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001680 tlogG= -0.007119 logG= -0.008799 Density= 0.072217 ETOT(band)= -0.076475 trlgG= -0.094829 logG= -0.008799 TDE= -0.056617 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004911 tlogG= -0.021212 logG= -0.026123 Density= 0.216308 ETOT(band)= -0.230025 trlgG= -0.285499 logG= -0.026123 TDE= -0.169783 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 Density= 0.070856 ETOT(band)= -0.077942 trlgG= -0.097435 logG= -0.009386 TDE= -0.056955 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005857 logG= -0.007120 Density= 0.080634 ETOT(band)= -0.087606 trlgG= -0.110148 logG= -0.007120 TDE= -0.042807 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004395 tlogG= -0.023743 logG= -0.028137 Density= 0.213055 ETOT(band)= -0.233565 trlgG= -0.291710 logG= -0.028137 TDE= -0.170758 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004450 tlogG= -0.023589 logG= -0.028039 Density= 0.212588 ETOT(band)= -0.233972 trlgG= -0.292684 logG= -0.028039 TDE= -0.170673 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005985 logG= -0.007251 Density= 0.081045 ETOT(band)= -0.087544 trlgG= -0.110399 logG= -0.007251 TDE= -0.042891 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005940 logG= -0.007208 Density= 0.080817 ETOT(band)= -0.087641 trlgG= -0.110345 logG= -0.007208 TDE= -0.042861 logGD-logG0= -0.001228 tlogG= -0.005621 logG= -0.006849 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080824 ETOT(band)= -0.086962 trlgG= -0.108591 logG= -0.006849 TDE= -0.042665 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007589 logG= -0.009149 Density= 0.071486 ETOT(band)= -0.077341 trlgG= -0.096139 logG= -0.009149 TDE= -0.056730 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.024004 logG= -0.029191 Density= 0.215646 ETOT(band)= -0.233840 trlgG= -0.294776 logG= -0.029191 TDE= -0.171557 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.023487 logG= -0.028700 Density= 0.215177 ETOT(band)= -0.233310 trlgG= -0.292859 logG= -0.028700 TDE= -0.171148 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.024160 logG= -0.029139 Density= 0.214704 ETOT(band)= -0.234149 trlgG= -0.294477 logG= -0.029139 TDE= -0.171215 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.024125 logG= -0.029404 Density= 0.215679 ETOT(band)= -0.233996 trlgG= -0.295191 logG= -0.029404 TDE= -0.171589 logGD-logG0= -0.005163 tlogG= -0.023765 logG= -0.028929 Density= 0.216237 ETOT(band)= -0.233022 trlgG= -0.293367 logG= -0.028929 TDE= -0.171407 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023849 logG= -0.028885 Density= 0.215457 ETOT(band)= -0.233741 trlgG= -0.294225 logG= -0.028885 TDE= -0.171093 logGD-logG0= -0.005328 tlogG= -0.023901 logG= -0.029229 Density= 0.215606 ETOT(band)= -0.233742 trlgG= -0.294504 logG= -0.029229 TDE= -0.171413 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023803 logG= -0.029023 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215296 ETOT(band)= -0.233745 trlgG= -0.294121 logG= -0.029023 TDE= -0.171405 logGD-logG0= -0.005150 tlogG= -0.024003 logG= -0.029153 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216313 ETOT(band)= -0.233324 trlgG= -0.294303 logG= -0.029153 TDE= -0.171575 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006876 logG= -0.008445 Density= 0.040840 ETOT(band)= -0.042671 trlgG= -0.052792 logG= -0.008445 TDE= -0.056457 logGD-logG0= -0.005144 tlogG= -0.023960 logG= -0.029103 Density= 0.216347 ETOT(band)= -0.233220 trlgG= -0.294071 logG= -0.029103 TDE= -0.171548 logGD-logG0= -0.004733 tlogG= -0.024009 logG= -0.028742 Density= 0.321512 ETOT(band)= -0.351079 trlgG= -0.441262 logG= -0.028742 TDE= -0.171205 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005376 tlogG= -0.023687 logG= -0.029063 Density= 0.215369 ETOT(band)= -0.233594 trlgG= -0.293806 logG= -0.029063 TDE= -0.171236 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024165 logG= -0.029170 Density= 0.322384 ETOT(band)= -0.351194 trlgG= -0.441942 logG= -0.029170 TDE= -0.171210 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023419 logG= -0.028588 Density= 0.216158 ETOT(band)= -0.232642 trlgG= -0.292160 logG= -0.028588 TDE= -0.171168 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010376 tlogG= -0.047242 logG= -0.057618 Density= 0.324072 ETOT(band)= -0.349523 trlgG= -0.439604 logG= -0.057618 TDE= -0.342598 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010098 tlogG= -0.045640 logG= -0.055738 Density= 0.323987 ETOT(band)= -0.347922 trlgG= -0.434901 logG= -0.055738 TDE= -0.341418 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010612 tlogG= -0.048047 logG= -0.058660 Density= 0.323188 ETOT(band)= -0.350959 trlgG= -0.442290 logG= -0.058660 TDE= -0.342981 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022972 logG= -0.028114 logGD-logG0= -0.008879 tlogG= -0.048102 logG= -0.056981 Density= 0.425470 ETOT(band)= -0.468299 trlgG= -0.586353 logG= -0.056981 TDE= -0.341736 logGD-logG0= -0.004990 tlogG= -0.023249 logG= -0.028239 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216186 ETOT(band)= -0.232068 trlgG= -0.290545 logG= -0.028114 TDE= -0.170882 Density= 0.321649 ETOT(band)= -0.350538 trlgG= -0.439538 logG= -0.028239 TDE= -0.170835 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004645 tlogG= -0.023371 logG= -0.028016 logGD-logG0= -0.004701 tlogG= -0.024010 logG= -0.028710 Density= 0.214085 ETOT(band)= -0.234066 trlgG= -0.294078 logG= -0.028710 TDE= -0.171209 logGD-logG0= -0.010330 tlogG= -0.047793 logG= -0.058123 Density= 0.324289 ETOT(band)= -0.349890 trlgG= -0.440952 logG= -0.058123 TDE= -0.342989 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.024088 logG= -0.029297 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321583 ETOT(band)= -0.350031 trlgG= -0.438687 logG= -0.028016 TDE= -0.170880 Density= 0.323003 ETOT(band)= -0.351167 trlgG= -0.442593 logG= -0.029297 TDE= -0.171403 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.021307 logG= -0.026177 Density= 0.162618 ETOT(band)= -0.172976 trlgG= -0.215887 logG= -0.026177 TDE= -0.169864 logGD-logG0= -0.009605 tlogG= -0.046613 logG= -0.056218 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322651 ETOT(band)= -0.348988 trlgG= -0.436331 logG= -0.056218 TDE= -0.341569 logGD-logG0= -0.009854 tlogG= -0.046408 logG= -0.056262 Density= 0.429461 ETOT(band)= -0.465523 trlgG= -0.581423 logG= -0.056262 TDE= -0.341290 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009370 tlogG= -0.046720 logG= -0.056090 Density= 0.427826 ETOT(band)= -0.466091 trlgG= -0.581744 logG= -0.056090 TDE= -0.341178 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004613 tlogG= -0.023374 logG= -0.027987 Density= 0.214149 ETOT(band)= -0.233354 trlgG= -0.292286 logG= -0.027987 TDE= -0.170888 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022477 logG= -0.027356 Density= 0.214988 ETOT(band)= -0.231647 trlgG= -0.288000 logG= -0.027356 TDE= -0.170160 logGD-logG0= -0.010372 tlogG= -0.046423 logG= -0.056795 logGD-logG0= -0.005130 tlogG= -0.023199 logG= -0.028329 Density= 0.214832 ETOT(band)= -0.232936 trlgG= -0.291172 logG= -0.028329 TDE= -0.170599 Density= 0.323938 ETOT(band)= -0.348866 trlgG= -0.437519 logG= -0.056795 TDE= -0.342041 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.023960 logG= -0.029273 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323601 ETOT(band)= -0.350633 trlgG= -0.442037 logG= -0.029273 TDE= -0.171461 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009562 tlogG= -0.047846 logG= -0.057408 Density= 0.427967 ETOT(band)= -0.468117 trlgG= -0.587742 logG= -0.057408 TDE= -0.342224 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010234 tlogG= -0.047963 logG= -0.058197 Density= 0.429130 ETOT(band)= -0.468192 trlgG= -0.588160 logG= -0.058197 TDE= -0.342110 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009523 tlogG= -0.047777 logG= -0.057300 Density= 0.427108 ETOT(band)= -0.467878 trlgG= -0.585727 logG= -0.057300 TDE= -0.341457 logGD-logG0= -0.010065 tlogG= -0.048155 logG= -0.058220 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009425 tlogG= -0.046614 logG= -0.056040 Density= 0.429227 ETOT(band)= -0.468231 trlgG= -0.588515 logG= -0.058220 TDE= -0.342271 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428028 ETOT(band)= -0.466813 trlgG= -0.584350 logG= -0.056040 TDE= -0.341594 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010198 tlogG= -0.048228 logG= -0.058427 logGD-logG0= -0.010408 tlogG= -0.048078 logG= -0.058486 Density= 0.430067 ETOT(band)= -0.468066 trlgG= -0.588956 logG= -0.058486 TDE= -0.342610 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429961 ETOT(band)= -0.468236 trlgG= -0.589283 logG= -0.058427 TDE= -0.342485 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009738 tlogG= -0.047860 logG= -0.057598 logGD-logG0= -0.010681 tlogG= -0.047699 logG= -0.058380 Density= 0.429063 ETOT(band)= -0.467894 trlgG= -0.587718 logG= -0.057598 TDE= -0.342211 logGD-logG0= -0.010576 tlogG= -0.047737 logG= -0.058314 Density= 0.430673 ETOT(band)= -0.467491 trlgG= -0.588245 logG= -0.058314 TDE= -0.342627 Density= 0.431013 ETOT(band)= -0.467435 trlgG= -0.588606 logG= -0.058380 TDE= -0.342734 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009891 tlogG= -0.044632 logG= -0.054522 Density= 0.324230 ETOT(band)= -0.346653 trlgG= -0.431893 logG= -0.054522 TDE= -0.340741 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.021885 logG= -0.026927 logGD-logG0= -0.010175 tlogG= -0.047675 logG= -0.057850 logGD-logG0= -0.010237 tlogG= -0.046939 logG= -0.057176 Density= 0.429807 ETOT(band)= -0.466439 trlgG= -0.584122 logG= -0.057176 TDE= -0.341580 Density= 0.216588 ETOT(band)= -0.230273 trlgG= -0.286446 logG= -0.026927 TDE= -0.170208 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009918 tlogG= -0.047566 logG= -0.057484 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428220 ETOT(band)= -0.468101 trlgG= -0.587075 logG= -0.057850 TDE= -0.341865 logGD-logG0= -0.010606 tlogG= -0.048024 logG= -0.058629 Density= 0.431253 ETOT(band)= -0.467717 trlgG= -0.589598 logG= -0.058629 TDE= -0.342999 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428537 ETOT(band)= -0.467445 trlgG= -0.586116 logG= -0.057484 TDE= -0.341910 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009569 tlogG= -0.047658 logG= -0.057227 Density= 0.426605 ETOT(band)= -0.468328 trlgG= -0.586873 logG= -0.057227 TDE= -0.341755 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047277 logG= -0.057912 Density= 0.430405 ETOT(band)= -0.467066 trlgG= -0.586774 logG= -0.057912 TDE= -0.342244 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010161 tlogG= -0.047578 logG= -0.057739 logGD-logG0= -0.004952 tlogG= -0.021357 logG= -0.026309 Density= 0.429935 ETOT(band)= -0.467086 trlgG= -0.586050 logG= -0.057739 TDE= -0.342024 logGD-logG0= -0.004797 tlogG= -0.022332 logG= -0.027129 Density= 0.216980 ETOT(band)= -0.229166 trlgG= -0.284244 logG= -0.026309 TDE= -0.169877 Density= 0.322819 ETOT(band)= -0.347956 trlgG= -0.433943 logG= -0.027129 TDE= -0.170228 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001215 tlogG= -0.005469 logG= -0.006685 Density= 0.081185 ETOT(band)= -0.086350 trlgG= -0.107355 logG= -0.006685 TDE= -0.042568 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022331 logG= -0.027088 Density= 0.214993 ETOT(band)= -0.231936 trlgG= -0.289042 logG= -0.027088 TDE= -0.170234 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009740 tlogG= -0.044634 logG= -0.054374 Density= 0.431534 ETOT(band)= -0.462053 trlgG= -0.574652 logG= -0.054374 TDE= -0.340376 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.795774854211 eV TrLogG= -407.177136027190 eV Ratio to renormalize= 1.000201582729 rho-rho_expected=-0.004433926237 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964543166687885 0.940169510824502 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002310 tlogG= -0.011878 logG= -0.014188 Density= 0.053548 ETOT(band)= -0.058379 trlgG= -0.073226 logG= -0.014188 TDE= -0.085536 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004511 tlogG= -0.024037 logG= -0.028548 Density= 0.106364 ETOT(band)= -0.117107 trlgG= -0.146718 logG= -0.028548 TDE= -0.170804 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004964 tlogG= -0.023636 logG= -0.028600 Density= 0.106951 ETOT(band)= -0.116887 trlgG= -0.146217 logG= -0.028600 TDE= -0.170542 logGD-logG0= -0.001394 tlogG= -0.008041 logG= -0.009435 Density= 0.035306 ETOT(band)= -0.039060 trlgG= -0.048944 logG= -0.009435 TDE= -0.056980 logGD-logG0= -0.005256 tlogG= -0.023673 logG= -0.028930 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107203 ETOT(band)= -0.116959 trlgG= -0.146768 logG= -0.028930 TDE= -0.170887 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023204 logG= -0.028274 Density= 0.108162 ETOT(band)= -0.116163 trlgG= -0.145795 logG= -0.028274 TDE= -0.171046 logGD-logG0= -0.005080 tlogG= -0.022866 logG= -0.027946 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023675 logG= -0.028354 Density= 0.106949 ETOT(band)= -0.116797 trlgG= -0.146408 logG= -0.028354 TDE= -0.170978 Density= 0.107588 ETOT(band)= -0.116255 trlgG= -0.145265 logG= -0.027946 TDE= -0.170558 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.023886 logG= -0.028755 Density= 0.106731 ETOT(band)= -0.117069 trlgG= -0.146829 logG= -0.028755 TDE= -0.170890 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007808 logG= -0.009283 Density= 0.035484 ETOT(band)= -0.038910 trlgG= -0.048581 logG= -0.009283 TDE= -0.056857 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000852 logG= -0.001047 Density= 0.004542 ETOT(band)= -0.004732 trlgG= -0.005850 logG= -0.001047 TDE= -0.007050 logGD-logG0= -0.004289 tlogG= -0.024041 logG= -0.028330 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.106094 ETOT(band)= -0.117117 trlgG= -0.146707 logG= -0.028330 TDE= -0.170878 logGD-logG0= -0.002405 tlogG= -0.012076 logG= -0.014482 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053570 ETOT(band)= -0.058523 trlgG= -0.073588 logG= -0.014482 TDE= -0.085616 logGD-logG0= -0.004591 tlogG= -0.023196 logG= -0.027787 Density= 0.106712 ETOT(band)= -0.116576 trlgG= -0.145390 logG= -0.027787 TDE= -0.170409 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.012027 logG= -0.014614 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053748 ETOT(band)= -0.058513 trlgG= -0.073646 logG= -0.014614 TDE= -0.085629 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004678 tlogG= -0.022980 logG= -0.027658 Density= 0.106847 ETOT(band)= -0.116445 trlgG= -0.145128 logG= -0.027658 TDE= -0.170343 logGD-logG0= -0.004702 tlogG= -0.023491 logG= -0.028193 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.022399 logG= -0.027381 Density= 0.107607 ETOT(band)= -0.115921 trlgG= -0.144369 logG= -0.027381 TDE= -0.170238 Density= 0.106748 ETOT(band)= -0.116767 trlgG= -0.145875 logG= -0.028193 TDE= -0.170506 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002318 tlogG= -0.011443 logG= -0.013760 Density= 0.053723 ETOT(band)= -0.058049 trlgG= -0.072463 logG= -0.013760 TDE= -0.085288 logGD-logG0= -0.005008 tlogG= -0.022447 logG= -0.027454 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108173 ETOT(band)= -0.115696 trlgG= -0.144492 logG= -0.027454 TDE= -0.170567 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023751 logG= -0.028875 Density= 0.108145 ETOT(band)= -0.116502 trlgG= -0.146749 logG= -0.028875 TDE= -0.171389 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002546 tlogG= -0.011977 logG= -0.014523 Density= 0.054121 ETOT(band)= -0.058276 trlgG= -0.073512 logG= -0.014523 TDE= -0.085770 logGD-logG0= -0.005119 tlogG= -0.023418 logG= -0.028537 Density= 0.108099 ETOT(band)= -0.116340 trlgG= -0.146213 logG= -0.028537 TDE= -0.171169 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022160 logG= -0.027085 Density= 0.108329 ETOT(band)= -0.115391 trlgG= -0.143886 logG= -0.027085 TDE= -0.170407 logGD-logG0= -0.005076 tlogG= -0.022971 logG= -0.028047 Density= 0.108104 ETOT(band)= -0.116069 trlgG= -0.145439 logG= -0.028047 TDE= -0.170887 logGD-logG0= -0.004316 tlogG= -0.023964 logG= -0.028280 logGD-logG0= -0.005112 tlogG= -0.023937 logG= -0.029049 Density= 0.108195 ETOT(band)= -0.116577 trlgG= -0.147028 logG= -0.029049 TDE= -0.171519 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106146 ETOT(band)= -0.117074 trlgG= -0.146594 logG= -0.028280 TDE= -0.170840 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002615 tlogG= -0.011981 logG= -0.014596 logGD-logG0= -0.005248 tlogG= -0.024062 logG= -0.029310 logGD-logG0= -0.005263 tlogG= -0.024073 logG= -0.029335 Density= 0.107612 ETOT(band)= -0.117027 trlgG= -0.147438 logG= -0.029310 TDE= -0.171380 Density= 0.053967 ETOT(band)= -0.058397 trlgG= -0.073632 logG= -0.014596 TDE= -0.085741 logGD-logG0= -0.004834 tlogG= -0.022840 logG= -0.027674 logGD-logG0= -0.005295 tlogG= -0.024118 logG= -0.029414 Density= 0.107856 ETOT(band)= -0.116935 trlgG= -0.147503 logG= -0.029335 TDE= -0.171540 Density= 0.107779 ETOT(band)= -0.117023 trlgG= -0.147627 logG= -0.029414 TDE= -0.171548 Density= 0.107719 ETOT(band)= -0.116051 trlgG= -0.144854 logG= -0.027674 TDE= -0.170485 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023859 logG= -0.028957 logGD-logG0= -0.005101 tlogG= -0.023593 logG= -0.028694 Density= 0.108171 ETOT(band)= -0.116387 trlgG= -0.146458 logG= -0.028694 TDE= -0.171293 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108216 ETOT(band)= -0.116513 trlgG= -0.146879 logG= -0.028957 TDE= -0.171472 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005200 tlogG= -0.023956 logG= -0.029156 Density= 0.107414 ETOT(band)= -0.117012 trlgG= -0.147164 logG= -0.029156 TDE= -0.171162 logGD-logG0= -0.004800 tlogG= -0.023678 logG= -0.028478 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107350 ETOT(band)= -0.116680 trlgG= -0.146320 logG= -0.028478 TDE= -0.170964 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023660 logG= -0.028306 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106573 ETOT(band)= -0.116913 trlgG= -0.146302 logG= -0.028306 TDE= -0.170733 logGD-logG0= -0.005280 tlogG= -0.023893 logG= -0.029174 Density= 0.107720 ETOT(band)= -0.116893 trlgG= -0.147223 logG= -0.029174 TDE= -0.171355 logGD-logG0= -0.005004 tlogG= -0.022723 logG= -0.027726 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108218 ETOT(band)= -0.115833 trlgG= -0.144928 logG= -0.027726 TDE= -0.170753 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002388 tlogG= -0.010422 logG= -0.012810 Density= 0.054362 ETOT(band)= -0.057054 trlgG= -0.070663 logG= -0.012810 TDE= -0.084754 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.024082 logG= -0.029045 Density= 0.107350 ETOT(band)= -0.116991 trlgG= -0.147061 logG= -0.029045 TDE= -0.171138 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.024057 logG= -0.028909 Density= 0.107029 ETOT(band)= -0.117051 trlgG= -0.147085 logG= -0.028909 TDE= -0.171140 logGD-logG0= -0.004711 tlogG= -0.022841 logG= -0.027553 logGD-logG0= -0.005249 tlogG= -0.023856 logG= -0.029105 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107271 ETOT(band)= -0.116194 trlgG= -0.144978 logG= -0.027553 TDE= -0.170508 Density= 0.107883 ETOT(band)= -0.116762 trlgG= -0.147119 logG= -0.029105 TDE= -0.171400 logGD-logG0= -0.005271 tlogG= -0.023188 logG= -0.028458 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107653 ETOT(band)= -0.116504 trlgG= -0.146074 logG= -0.028458 TDE= -0.170888 logGD-logG0= -0.009725 tlogG= -0.048221 logG= -0.057946 Density= 0.214345 ETOT(band)= -0.234061 trlgG= -0.294246 logG= -0.057946 TDE= -0.342370 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024044 logG= -0.029282 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107914 ETOT(band)= -0.116868 trlgG= -0.147415 logG= -0.029282 TDE= -0.171535 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023566 logG= -0.028852 logGD-logG0= -0.009591 tlogG= -0.047137 logG= -0.056728 logGD-logG0= -0.009692 tlogG= -0.045569 logG= -0.055261 Density= 0.107769 ETOT(band)= -0.116666 trlgG= -0.146704 logG= -0.028852 TDE= -0.171181 logGD-logG0= -0.009043 tlogG= -0.047613 logG= -0.056656 Density= 0.212877 ETOT(band)= -0.233949 trlgG= -0.292738 logG= -0.056656 TDE= -0.341425 Density= 0.213715 ETOT(band)= -0.233653 trlgG= -0.292669 logG= -0.056728 TDE= -0.341698 Density= 0.214312 ETOT(band)= -0.232570 trlgG= -0.290034 logG= -0.055261 TDE= -0.340825 logGD-logG0= -0.009412 tlogG= -0.045740 logG= -0.055152 Density= 0.214964 ETOT(band)= -0.232222 trlgG= -0.289859 logG= -0.055152 TDE= -0.341081 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009870 tlogG= -0.047877 logG= -0.057748 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213915 ETOT(band)= -0.234099 trlgG= -0.293933 logG= -0.057748 TDE= -0.342041 logGD-logG0= -0.010445 tlogG= -0.047726 logG= -0.058172 logGD-logG0= -0.009469 tlogG= -0.047916 logG= -0.057385 Density= 0.213222 ETOT(band)= -0.234160 trlgG= -0.293381 logG= -0.057385 TDE= -0.341509 logGD-logG0= -0.009743 tlogG= -0.047141 logG= -0.056884 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213726 ETOT(band)= -0.233697 trlgG= -0.292461 logG= -0.056884 TDE= -0.341340 Density= 0.214699 ETOT(band)= -0.233987 trlgG= -0.294080 logG= -0.058172 TDE= -0.342152 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010247 tlogG= -0.047961 logG= -0.058208 Density= 0.215014 ETOT(band)= -0.233897 trlgG= -0.294175 logG= -0.058208 TDE= -0.342367 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.048061 logG= -0.058462 Density= 0.215011 ETOT(band)= -0.234042 trlgG= -0.294592 logG= -0.058462 TDE= -0.342528 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010309 tlogG= -0.047767 logG= -0.058076 Density= 0.214599 ETOT(band)= -0.233981 trlgG= -0.293910 logG= -0.058076 TDE= -0.342029 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009993 tlogG= -0.048008 logG= -0.058001 logGD-logG0= -0.010480 tlogG= -0.047996 logG= -0.058477 Density= 0.215048 ETOT(band)= -0.234033 trlgG= -0.294619 logG= -0.058477 TDE= -0.342558 Density= 0.214475 ETOT(band)= -0.234009 trlgG= -0.293997 logG= -0.058001 TDE= -0.342129 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010547 tlogG= -0.047502 logG= -0.058049 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010106 tlogG= -0.047642 logG= -0.057748 Density= 0.215638 ETOT(band)= -0.233491 trlgG= -0.293969 logG= -0.058049 TDE= -0.342629 Density= 0.213896 ETOT(band)= -0.234086 trlgG= -0.293685 logG= -0.057748 TDE= -0.341784 logGD-logG0= -0.010473 tlogG= -0.047914 logG= -0.058387 Density= 0.215833 ETOT(band)= -0.233608 trlgG= -0.294532 logG= -0.058387 TDE= -0.342949 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001615 tlogG= -0.006989 logG= -0.008603 Density= 0.036186 ETOT(band)= -0.038114 trlgG= -0.047227 logG= -0.008603 TDE= -0.056530 logGD-logG0= -0.009795 tlogG= -0.045631 logG= -0.055426 logGD-logG0= -0.009364 tlogG= -0.047425 logG= -0.056789 Density= 0.214258 ETOT(band)= -0.233485 trlgG= -0.292801 logG= -0.056789 TDE= -0.342037 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010330 tlogG= -0.047295 logG= -0.057625 Density= 0.214207 ETOT(band)= -0.233880 trlgG= -0.293162 logG= -0.057625 TDE= -0.341538 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215095 ETOT(band)= -0.232299 trlgG= -0.289852 logG= -0.055426 TDE= -0.340866 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047406 logG= -0.057907 Density= 0.215407 ETOT(band)= -0.233531 trlgG= -0.293727 logG= -0.057907 TDE= -0.342414 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010106 tlogG= -0.046395 logG= -0.056501 Density= 0.215159 ETOT(band)= -0.232862 trlgG= -0.291484 logG= -0.056501 TDE= -0.341454 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010528 tlogG= -0.047862 logG= -0.058390 logGD-logG0= -0.010592 tlogG= -0.048128 logG= -0.058720 Density= 0.215362 ETOT(band)= -0.234059 trlgG= -0.295056 logG= -0.058720 TDE= -0.342908 Density= 0.215705 ETOT(band)= -0.233680 trlgG= -0.294532 logG= -0.058390 TDE= -0.342884 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.047203 logG= -0.056922 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214423 ETOT(band)= -0.233447 trlgG= -0.292576 logG= -0.056922 TDE= -0.341762 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.046863 logG= -0.057407 logGD-logG0= -0.002448 tlogG= -0.010836 logG= -0.013285 Density= 0.215370 ETOT(band)= -0.233254 trlgG= -0.292927 logG= -0.057407 TDE= -0.342096 Density= 0.054049 ETOT(band)= -0.057570 trlgG= -0.071507 logG= -0.013285 TDE= -0.084968 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010018 tlogG= -0.047134 logG= -0.057152 Density= 0.215093 ETOT(band)= -0.233263 trlgG= -0.292499 logG= -0.057152 TDE= -0.341786 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.021865 logG= -0.026826 Density= 0.108293 ETOT(band)= -0.115206 trlgG= -0.143438 logG= -0.026826 TDE= -0.170201 logGD-logG0= -0.001680 tlogG= -0.007302 logG= -0.008981 Density= 0.035835 ETOT(band)= -0.038562 trlgG= -0.047886 logG= -0.008981 TDE= -0.056637 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004874 tlogG= -0.021555 logG= -0.026430 Density= 0.108483 ETOT(band)= -0.114841 trlgG= -0.142759 logG= -0.026430 TDE= -0.170012 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004794 tlogG= -0.020981 logG= -0.025774 Density= 0.108678 ETOT(band)= -0.114254 trlgG= -0.141604 logG= -0.025774 TDE= -0.169609 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005039 tlogG= -0.021808 logG= -0.026848 Density= 0.107761 ETOT(band)= -0.115494 trlgG= -0.143497 logG= -0.026848 TDE= -0.169974 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004980 tlogG= -0.021685 logG= -0.026666 Density= 0.107903 ETOT(band)= -0.115302 trlgG= -0.143188 logG= -0.026666 TDE= -0.169918 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009955 tlogG= -0.043372 logG= -0.053327 Density= 0.216219 ETOT(band)= -0.230394 trlgG= -0.286353 logG= -0.053327 TDE= -0.340023 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001250 tlogG= -0.005745 logG= -0.006995 Density= 0.080615 ETOT(band)= -0.087367 trlgG= -0.109559 logG= -0.006995 TDE= -0.042732 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004539 tlogG= -0.023964 logG= -0.028503 logGD-logG0= -0.004877 tlogG= -0.023875 logG= -0.028753 Density= 0.213735 ETOT(band)= -0.233926 trlgG= -0.292859 logG= -0.028753 TDE= -0.170732 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212760 ETOT(band)= -0.234184 trlgG= -0.293342 logG= -0.028503 TDE= -0.170771 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.023402 logG= -0.028579 Density= 0.216136 ETOT(band)= -0.232582 trlgG= -0.292071 logG= -0.028579 TDE= -0.171128 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005043 tlogG= -0.023945 logG= -0.028988 Density= 0.214284 ETOT(band)= -0.234013 trlgG= -0.293769 logG= -0.028988 TDE= -0.171003 logGD-logG0= -0.004800 tlogG= -0.023824 logG= -0.028624 Density= 0.213521 ETOT(band)= -0.234063 trlgG= -0.293595 logG= -0.028624 TDE= -0.170988 logGD-logG0= -0.004617 tlogG= -0.023360 logG= -0.027977 Density= 0.214131 ETOT(band)= -0.233290 trlgG= -0.292194 logG= -0.027977 TDE= -0.170848 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023188 logG= -0.028319 Density= 0.214813 ETOT(band)= -0.232875 trlgG= -0.291081 logG= -0.028319 TDE= -0.170558 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004452 tlogG= -0.023577 logG= -0.028029 Density= 0.212573 ETOT(band)= -0.233905 trlgG= -0.292591 logG= -0.028029 TDE= -0.170634 logGD-logG0= -0.001571 tlogG= -0.006871 logG= -0.008442 Density= 0.040836 ETOT(band)= -0.042660 trlgG= -0.052776 logG= -0.008442 TDE= -0.056444 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004263 tlogG= -0.024121 logG= -0.028384 Density= 0.212126 ETOT(band)= -0.234285 trlgG= -0.293537 logG= -0.028384 TDE= -0.170916 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004396 tlogG= -0.023730 logG= -0.028126 Density= 0.213040 ETOT(band)= -0.233500 trlgG= -0.291618 logG= -0.028126 TDE= -0.170719 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001179 tlogG= -0.005169 logG= -0.006348 Density= 0.062525 ETOT(band)= -0.067521 trlgG= -0.084168 logG= -0.006348 TDE= -0.042346 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005305 logG= -0.006502 Density= 0.081535 ETOT(band)= -0.085661 trlgG= -0.106166 logG= -0.006502 TDE= -0.042447 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004565 tlogG= -0.023881 logG= -0.028446 Density= 0.213232 ETOT(band)= -0.233776 trlgG= -0.292350 logG= -0.028446 TDE= -0.170723 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001421 tlogG= -0.007962 logG= -0.009383 Density= 0.070851 ETOT(band)= -0.077920 trlgG= -0.097404 logG= -0.009383 TDE= -0.056942 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005853 logG= -0.007118 Density= 0.080626 ETOT(band)= -0.087583 trlgG= -0.110114 logG= -0.007118 TDE= -0.042797 logGD-logG0= -0.004930 tlogG= -0.022897 logG= -0.027827 Density= 0.214744 ETOT(band)= -0.232320 trlgG= -0.289552 logG= -0.027827 TDE= -0.170372 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001683 tlogG= -0.007114 logG= -0.008796 Density= 0.072210 ETOT(band)= -0.076455 trlgG= -0.094800 logG= -0.008796 TDE= -0.056604 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004881 tlogG= -0.022464 logG= -0.027346 Density= 0.214970 ETOT(band)= -0.231585 trlgG= -0.287910 logG= -0.027346 TDE= -0.170121 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005617 logG= -0.006846 Density= 0.080816 ETOT(band)= -0.086939 trlgG= -0.108558 logG= -0.006846 TDE= -0.042656 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005047 tlogG= -0.021870 logG= -0.026917 Density= 0.216568 ETOT(band)= -0.230213 trlgG= -0.286360 logG= -0.026917 TDE= -0.170169 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001270 tlogG= -0.005936 logG= -0.007206 Density= 0.080809 ETOT(band)= -0.087618 trlgG= -0.110311 logG= -0.007206 TDE= -0.042851 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005980 logG= -0.007249 Density= 0.081036 ETOT(band)= -0.087522 trlgG= -0.110366 logG= -0.007249 TDE= -0.042881 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004958 tlogG= -0.021342 logG= -0.026300 Density= 0.216960 ETOT(band)= -0.229107 trlgG= -0.284159 logG= -0.026300 TDE= -0.169838 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005194 tlogG= -0.023987 logG= -0.029181 Density= 0.215624 ETOT(band)= -0.233780 trlgG= -0.294686 logG= -0.029181 TDE= -0.171516 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.021197 logG= -0.026114 Density= 0.216288 ETOT(band)= -0.229965 trlgG= -0.285412 logG= -0.026114 TDE= -0.169745 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005215 tlogG= -0.023474 logG= -0.028690 Density= 0.215157 ETOT(band)= -0.233249 trlgG= -0.292769 logG= -0.028690 TDE= -0.171107 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005227 tlogG= -0.023786 logG= -0.029013 Density= 0.215274 ETOT(band)= -0.233684 trlgG= -0.294032 logG= -0.029013 TDE= -0.171364 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023986 logG= -0.029144 Density= 0.216290 ETOT(band)= -0.233265 trlgG= -0.294215 logG= -0.029144 TDE= -0.171534 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.022282 logG= -0.027196 Density= 0.214210 ETOT(band)= -0.232359 trlgG= -0.289303 logG= -0.027196 TDE= -0.170107 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004737 tlogG= -0.023994 logG= -0.028732 Density= 0.321483 ETOT(band)= -0.350985 trlgG= -0.441126 logG= -0.028732 TDE= -0.171165 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024107 logG= -0.029394 Density= 0.215656 ETOT(band)= -0.233935 trlgG= -0.295100 logG= -0.029394 TDE= -0.171548 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.022430 logG= -0.027514 logGD-logG0= -0.005039 tlogG= -0.023835 logG= -0.028874 Density= 0.216311 ETOT(band)= -0.231210 trlgG= -0.288473 logG= -0.027514 TDE= -0.170508 Density= 0.215435 ETOT(band)= -0.233681 trlgG= -0.294134 logG= -0.028874 TDE= -0.171052 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024151 logG= -0.029160 Density= 0.322352 ETOT(band)= -0.351102 trlgG= -0.441805 logG= -0.029160 TDE= -0.171171 logGD-logG0= -0.010104 tlogG= -0.045614 logG= -0.055718 logGD-logG0= -0.010344 tlogG= -0.047759 logG= -0.058104 Density= 0.324254 ETOT(band)= -0.349802 trlgG= -0.440820 logG= -0.058104 TDE= -0.342909 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323957 ETOT(band)= -0.347832 trlgG= -0.434768 logG= -0.055718 TDE= -0.341339 logGD-logG0= -0.005151 tlogG= -0.023943 logG= -0.029094 Density= 0.216323 ETOT(band)= -0.233161 trlgG= -0.293983 logG= -0.029094 TDE= -0.171508 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007585 logG= -0.009146 Density= 0.071480 ETOT(band)= -0.077320 trlgG= -0.096109 logG= -0.009146 TDE= -0.056717 logGD-logG0= -0.004983 tlogG= -0.024146 logG= -0.029129 Density= 0.214683 ETOT(band)= -0.234087 trlgG= -0.294386 logG= -0.029129 TDE= -0.171176 logGD-logG0= -0.005170 tlogG= -0.023749 logG= -0.028919 Density= 0.216214 ETOT(band)= -0.232963 trlgG= -0.293278 logG= -0.028919 TDE= -0.171367 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024075 logG= -0.029287 Density= 0.322970 ETOT(band)= -0.351076 trlgG= -0.442455 logG= -0.029287 TDE= -0.171361 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010390 tlogG= -0.047209 logG= -0.057599 logGD-logG0= -0.004748 tlogG= -0.023233 logG= -0.027981 Density= 0.324039 ETOT(band)= -0.349434 trlgG= -0.439471 logG= -0.057599 TDE= -0.342517 Density= 0.213449 ETOT(band)= -0.233530 trlgG= -0.292079 logG= -0.027981 TDE= -0.170684 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.022956 logG= -0.028104 Density= 0.216165 ETOT(band)= -0.232008 trlgG= -0.290456 logG= -0.028104 TDE= -0.170842 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010621 tlogG= -0.048018 logG= -0.058639 logGD-logG0= -0.004994 tlogG= -0.023236 logG= -0.028229 Density= 0.323155 ETOT(band)= -0.350868 trlgG= -0.442153 logG= -0.058639 TDE= -0.342899 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321620 ETOT(band)= -0.350444 trlgG= -0.439402 logG= -0.028229 TDE= -0.170795 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.023884 logG= -0.029219 Density= 0.215584 ETOT(band)= -0.233682 trlgG= -0.294414 logG= -0.029219 TDE= -0.171372 logGD-logG0= -0.005320 tlogG= -0.023943 logG= -0.029263 Density= 0.323567 ETOT(band)= -0.350543 trlgG= -0.441902 logG= -0.029263 TDE= -0.171420 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010385 tlogG= -0.046391 logG= -0.056775 Density= 0.323906 ETOT(band)= -0.348776 trlgG= -0.437386 logG= -0.056775 TDE= -0.341961 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009613 tlogG= -0.046585 logG= -0.056198 Density= 0.322623 ETOT(band)= -0.348895 trlgG= -0.436198 logG= -0.056198 TDE= -0.341491 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004705 tlogG= -0.023995 logG= -0.028700 Density= 0.214067 ETOT(band)= -0.234003 trlgG= -0.293987 logG= -0.028700 TDE= -0.171169 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005383 tlogG= -0.023670 logG= -0.029053 logGD-logG0= -0.008882 tlogG= -0.048077 logG= -0.056959 Density= 0.425439 ETOT(band)= -0.468167 trlgG= -0.586169 logG= -0.056959 TDE= -0.341658 logGD-logG0= -0.009570 tlogG= -0.047816 logG= -0.057387 Density= 0.427930 ETOT(band)= -0.467990 trlgG= -0.587559 logG= -0.057387 TDE= -0.342144 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215347 ETOT(band)= -0.233534 trlgG= -0.293716 logG= -0.029053 TDE= -0.171195 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046696 logG= -0.056069 Density= 0.427792 ETOT(band)= -0.465963 trlgG= -0.581561 logG= -0.056069 TDE= -0.341098 logGD-logG0= -0.004649 tlogG= -0.023357 logG= -0.028006 logGD-logG0= -0.010073 tlogG= -0.048126 logG= -0.058199 Density= 0.429186 ETOT(band)= -0.468107 trlgG= -0.588332 logG= -0.058199 TDE= -0.342192 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321556 ETOT(band)= -0.349937 trlgG= -0.438551 logG= -0.028006 TDE= -0.170840 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.047935 logG= -0.058176 Density= 0.429090 ETOT(band)= -0.468068 trlgG= -0.587974 logG= -0.058176 TDE= -0.342029 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010180 tlogG= -0.047649 logG= -0.057829 Density= 0.428182 ETOT(band)= -0.467975 trlgG= -0.586891 logG= -0.057829 TDE= -0.341785 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009433 tlogG= -0.046585 logG= -0.056019 Density= 0.427993 ETOT(band)= -0.466686 trlgG= -0.584167 logG= -0.056019 TDE= -0.341515 logGD-logG0= -0.005398 tlogG= -0.023347 logG= -0.028745 logGD-logG0= -0.010414 tlogG= -0.048051 logG= -0.058466 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430025 ETOT(band)= -0.467943 trlgG= -0.588771 logG= -0.058466 TDE= -0.342528 Density= 0.215049 ETOT(band)= -0.233275 trlgG= -0.292575 logG= -0.028745 TDE= -0.170901 logGD-logG0= -0.010696 tlogG= -0.047665 logG= -0.058360 logGD-logG0= -0.010205 tlogG= -0.048201 logG= -0.058406 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430969 ETOT(band)= -0.467314 trlgG= -0.588425 logG= -0.058360 TDE= -0.342652 Density= 0.429918 ETOT(band)= -0.468113 trlgG= -0.589098 logG= -0.058406 TDE= -0.342402 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.047711 logG= -0.058293 Density= 0.430630 ETOT(band)= -0.467369 trlgG= -0.588063 logG= -0.058293 TDE= -0.342545 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009570 tlogG= -0.047636 logG= -0.057206 Density= 0.426570 ETOT(band)= -0.468198 trlgG= -0.586686 logG= -0.057206 TDE= -0.341675 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009745 tlogG= -0.047832 logG= -0.057577 Density= 0.429023 ETOT(band)= -0.467770 trlgG= -0.587538 logG= -0.057577 TDE= -0.342133 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.047754 logG= -0.057279 logGD-logG0= -0.004875 tlogG= -0.021292 logG= -0.026168 Density= 0.162602 ETOT(band)= -0.172932 trlgG= -0.215823 logG= -0.026168 TDE= -0.169825 Density= 0.427073 ETOT(band)= -0.467750 trlgG= -0.585542 logG= -0.057279 TDE= -0.341377 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010244 tlogG= -0.046911 logG= -0.057155 logGD-logG0= -0.009926 tlogG= -0.047537 logG= -0.057463 Density= 0.429767 ETOT(band)= -0.466316 trlgG= -0.583938 logG= -0.057155 TDE= -0.341498 logGD-logG0= -0.010620 tlogG= -0.047989 logG= -0.058609 Density= 0.431208 ETOT(band)= -0.467597 trlgG= -0.589417 logG= -0.058609 TDE= -0.342917 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428499 ETOT(band)= -0.467320 trlgG= -0.585935 logG= -0.057463 TDE= -0.341831 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009861 tlogG= -0.046380 logG= -0.056241 Density= 0.429424 ETOT(band)= -0.465398 trlgG= -0.581244 logG= -0.056241 TDE= -0.341211 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004801 tlogG= -0.022318 logG= -0.027119 Density= 0.322791 ETOT(band)= -0.347864 trlgG= -0.433809 logG= -0.027119 TDE= -0.170189 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010642 tlogG= -0.047250 logG= -0.057892 Density= 0.430362 ETOT(band)= -0.466945 trlgG= -0.586592 logG= -0.057892 TDE= -0.342162 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010168 tlogG= -0.047550 logG= -0.057718 Density= 0.429894 ETOT(band)= -0.466963 trlgG= -0.585866 logG= -0.057718 TDE= -0.341942 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.044605 logG= -0.054503 Density= 0.324200 ETOT(band)= -0.346562 trlgG= -0.431761 logG= -0.054503 TDE= -0.340663 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001217 tlogG= -0.005466 logG= -0.006682 Density= 0.081178 ETOT(band)= -0.086327 trlgG= -0.107323 logG= -0.006682 TDE= -0.042558 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004761 tlogG= -0.022317 logG= -0.027078 Density= 0.214975 ETOT(band)= -0.231874 trlgG= -0.288953 logG= -0.027078 TDE= -0.170194 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009749 tlogG= -0.044605 logG= -0.054354 Density= 0.431496 ETOT(band)= -0.461930 trlgG= -0.574476 logG= -0.054354 TDE= -0.340297 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.709616125437 eV TrLogG= -407.037306843960 eV Ratio to renormalize= 1.000293979659 rho-rho_expected=-0.006465651718 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 73) Finished k-point number 148 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964547881956355 0.940190698114587 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001394 tlogG= -0.008042 logG= -0.009436 logGD-logG0= -0.001475 tlogG= -0.007809 logG= -0.009284 Density= 0.035485 ETOT(band)= -0.038912 trlgG= -0.048584 logG= -0.009284 TDE= -0.056860 Density= 0.035306 ETOT(band)= -0.039063 trlgG= -0.048948 logG= -0.009436 TDE= -0.056983 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004288 tlogG= -0.024044 logG= -0.028332 Density= 0.106096 ETOT(band)= -0.117125 trlgG= -0.146718 logG= -0.028332 TDE= -0.170887 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023199 logG= -0.027789 Density= 0.106714 ETOT(band)= -0.116584 trlgG= -0.145400 logG= -0.027789 TDE= -0.170419 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002387 tlogG= -0.010423 logG= -0.012811 Density= 0.054363 ETOT(band)= -0.057057 trlgG= -0.070667 logG= -0.012811 TDE= -0.084758 logGD-logG0= -0.001614 tlogG= -0.006990 logG= -0.008604 Density= 0.036186 ETOT(band)= -0.038116 trlgG= -0.047230 logG= -0.008604 TDE= -0.056533 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001680 tlogG= -0.007302 logG= -0.008982 Density= 0.035836 ETOT(band)= -0.038564 trlgG= -0.047889 logG= -0.008982 TDE= -0.056640 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004792 tlogG= -0.020984 logG= -0.025776 Density= 0.108681 ETOT(band)= -0.114260 trlgG= -0.141613 logG= -0.025776 TDE= -0.169618 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004542 ETOT(band)= -0.004732 trlgG= -0.005850 logG= -0.001047 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.012029 logG= -0.014615 Density= 0.053749 ETOT(band)= -0.058516 trlgG= -0.073651 logG= -0.014615 TDE= -0.085633 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002405 tlogG= -0.012078 logG= -0.014483 Density= 0.053571 ETOT(band)= -0.058527 trlgG= -0.073594 logG= -0.014483 TDE= -0.085621 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002310 tlogG= -0.011879 logG= -0.014189 Density= 0.053549 ETOT(band)= -0.058383 trlgG= -0.073232 logG= -0.014189 TDE= -0.085541 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002317 tlogG= -0.011444 logG= -0.013761 Density= 0.053724 ETOT(band)= -0.058052 trlgG= -0.072468 logG= -0.013761 TDE= -0.085292 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002545 tlogG= -0.011979 logG= -0.014524 Density= 0.054122 ETOT(band)= -0.058280 trlgG= -0.073517 logG= -0.014524 TDE= -0.085775 logGD-logG0= -0.005110 tlogG= -0.023941 logG= -0.029051 Density= 0.108198 ETOT(band)= -0.116584 trlgG= -0.147038 logG= -0.029051 TDE= -0.171529 logGD-logG0= -0.005123 tlogG= -0.023755 logG= -0.028877 logGD-logG0= -0.005247 tlogG= -0.024065 logG= -0.029312 Density= 0.108148 ETOT(band)= -0.116509 trlgG= -0.146759 logG= -0.028877 TDE= -0.171399 Density= 0.107614 ETOT(band)= -0.117034 trlgG= -0.147448 logG= -0.029312 TDE= -0.171389 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.022450 logG= -0.027456 logGD-logG0= -0.005075 tlogG= -0.022975 logG= -0.028049 Density= 0.108107 ETOT(band)= -0.116076 trlgG= -0.145449 logG= -0.028049 TDE= -0.170896 logGD-logG0= -0.004315 tlogG= -0.023967 logG= -0.028283 Density= 0.108176 ETOT(band)= -0.115703 trlgG= -0.144502 logG= -0.027456 TDE= -0.170577 Density= 0.106148 ETOT(band)= -0.117082 trlgG= -0.146605 logG= -0.028283 TDE= -0.170850 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023422 logG= -0.028539 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108101 ETOT(band)= -0.116347 trlgG= -0.146223 logG= -0.028539 TDE= -0.171178 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004511 tlogG= -0.024040 logG= -0.028551 Density= 0.106366 ETOT(band)= -0.117115 trlgG= -0.146729 logG= -0.028551 TDE= -0.170813 logGD-logG0= -0.002614 tlogG= -0.011983 logG= -0.014597 Density= 0.053968 ETOT(band)= -0.058400 trlgG= -0.073637 logG= -0.014597 TDE= -0.085746 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.023677 logG= -0.028932 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107205 ETOT(band)= -0.116967 trlgG= -0.146779 logG= -0.028932 TDE= -0.170897 logGD-logG0= -0.004924 tlogG= -0.022163 logG= -0.027087 logGD-logG0= -0.005261 tlogG= -0.024077 logG= -0.029338 Density= 0.108331 ETOT(band)= -0.115397 trlgG= -0.143895 logG= -0.027087 TDE= -0.170417 logGD-logG0= -0.005097 tlogG= -0.023862 logG= -0.028959 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107858 ETOT(band)= -0.116942 trlgG= -0.147513 logG= -0.029338 TDE= -0.171550 Density= 0.108219 ETOT(band)= -0.116519 trlgG= -0.146889 logG= -0.028959 TDE= -0.171482 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.024123 logG= -0.029416 logGD-logG0= -0.005068 tlogG= -0.023208 logG= -0.028276 Density= 0.108165 ETOT(band)= -0.116170 trlgG= -0.145805 logG= -0.028276 TDE= -0.171055 Density= 0.107782 ETOT(band)= -0.117030 trlgG= -0.147638 logG= -0.029416 TDE= -0.171558 logGD-logG0= -0.004963 tlogG= -0.023639 logG= -0.028602 Density= 0.106953 ETOT(band)= -0.116894 trlgG= -0.146228 logG= -0.028602 TDE= -0.170552 logGD-logG0= -0.004799 tlogG= -0.023681 logG= -0.028480 logGD-logG0= -0.005099 tlogG= -0.023596 logG= -0.028696 Density= 0.108174 ETOT(band)= -0.116393 trlgG= -0.146468 logG= -0.028696 TDE= -0.171302 Density= 0.107353 ETOT(band)= -0.116687 trlgG= -0.146330 logG= -0.028480 TDE= -0.170973 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023960 logG= -0.029158 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107417 ETOT(band)= -0.117019 trlgG= -0.147175 logG= -0.029158 TDE= -0.171172 logGD-logG0= -0.004833 tlogG= -0.022843 logG= -0.027676 logGD-logG0= -0.005002 tlogG= -0.022726 logG= -0.027728 Density= 0.107721 ETOT(band)= -0.116058 trlgG= -0.144864 logG= -0.027676 TDE= -0.170494 Density= 0.108220 ETOT(band)= -0.115840 trlgG= -0.144938 logG= -0.027728 TDE= -0.170763 logGD-logG0= -0.004869 tlogG= -0.023889 logG= -0.028757 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022870 logG= -0.027949 Density= 0.107590 ETOT(band)= -0.116262 trlgG= -0.145275 logG= -0.027949 TDE= -0.170567 logGD-logG0= -0.004981 tlogG= -0.022402 logG= -0.027383 logGD-logG0= -0.004677 tlogG= -0.022983 logG= -0.027660 Density= 0.106849 ETOT(band)= -0.116453 trlgG= -0.145138 logG= -0.027660 TDE= -0.170353 Density= 0.106733 ETOT(band)= -0.117076 trlgG= -0.146840 logG= -0.028757 TDE= -0.170900 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023663 logG= -0.028309 Density= 0.106575 ETOT(band)= -0.116921 trlgG= -0.146313 logG= -0.028309 TDE= -0.170742 Density= 0.107609 ETOT(band)= -0.115928 trlgG= -0.144380 logG= -0.027383 TDE= -0.170247 logGD-logG0= -0.004962 tlogG= -0.024085 logG= -0.029048 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023494 logG= -0.028195 Density= 0.106750 ETOT(band)= -0.116775 trlgG= -0.145885 logG= -0.028195 TDE= -0.170515 Density= 0.107353 ETOT(band)= -0.116998 trlgG= -0.147072 logG= -0.029048 TDE= -0.171147 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004850 tlogG= -0.024061 logG= -0.028911 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107031 ETOT(band)= -0.117058 trlgG= -0.147096 logG= -0.028911 TDE= -0.171149 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023191 logG= -0.028461 Density= 0.107656 ETOT(band)= -0.116511 trlgG= -0.146084 logG= -0.028461 TDE= -0.170897 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023896 logG= -0.029176 logGD-logG0= -0.004710 tlogG= -0.022845 logG= -0.027555 Density= 0.107273 ETOT(band)= -0.116201 trlgG= -0.144988 logG= -0.027555 TDE= -0.170517 Density= 0.107723 ETOT(band)= -0.116900 trlgG= -0.147234 logG= -0.029176 TDE= -0.171365 logGD-logG0= -0.004678 tlogG= -0.023678 logG= -0.028356 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106951 ETOT(band)= -0.116805 trlgG= -0.146419 logG= -0.028356 TDE= -0.170988 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009722 tlogG= -0.048228 logG= -0.057951 Density= 0.214350 ETOT(band)= -0.234076 trlgG= -0.294268 logG= -0.057951 TDE= -0.342389 logGD-logG0= -0.005247 tlogG= -0.023860 logG= -0.029107 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009410 tlogG= -0.045747 logG= -0.055157 Density= 0.214968 ETOT(band)= -0.232237 trlgG= -0.289880 logG= -0.055157 TDE= -0.341100 Density= 0.107886 ETOT(band)= -0.116769 trlgG= -0.147129 logG= -0.029107 TDE= -0.171410 logGD-logG0= -0.005284 tlogG= -0.023570 logG= -0.028854 Density= 0.107772 ETOT(band)= -0.116673 trlgG= -0.146714 logG= -0.028854 TDE= -0.171191 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009689 tlogG= -0.045576 logG= -0.055265 Density= 0.214316 ETOT(band)= -0.232585 trlgG= -0.290055 logG= -0.055265 TDE= -0.340844 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009868 tlogG= -0.047884 logG= -0.057752 logGD-logG0= -0.009042 tlogG= -0.047619 logG= -0.056661 logGD-logG0= -0.009742 tlogG= -0.047146 logG= -0.056888 Density= 0.213730 ETOT(band)= -0.233712 trlgG= -0.292483 logG= -0.056888 TDE= -0.341359 Density= 0.213919 ETOT(band)= -0.234113 trlgG= -0.293954 logG= -0.057752 TDE= -0.342060 logGD-logG0= -0.009589 tlogG= -0.047144 logG= -0.056732 Density= 0.213719 ETOT(band)= -0.233668 trlgG= -0.292690 logG= -0.056732 TDE= -0.341717 Density= 0.212881 ETOT(band)= -0.233965 trlgG= -0.292760 logG= -0.056661 TDE= -0.341443 logGD-logG0= -0.010443 tlogG= -0.047733 logG= -0.058177 logGD-logG0= -0.009362 tlogG= -0.047432 logG= -0.056794 Density= 0.214262 ETOT(band)= -0.233500 trlgG= -0.292822 logG= -0.056794 TDE= -0.342056 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.024048 logG= -0.029284 Density= 0.107917 ETOT(band)= -0.116875 trlgG= -0.147425 logG= -0.029284 TDE= -0.171544 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010398 tlogG= -0.048068 logG= -0.058466 Density= 0.214704 ETOT(band)= -0.234002 trlgG= -0.294102 logG= -0.058177 TDE= -0.342171 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215017 ETOT(band)= -0.234056 trlgG= -0.294613 logG= -0.058466 TDE= -0.342548 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009468 tlogG= -0.047921 logG= -0.057390 Density= 0.213226 ETOT(band)= -0.234175 trlgG= -0.293403 logG= -0.057390 TDE= -0.341528 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010479 tlogG= -0.048003 logG= -0.058481 Density= 0.215053 ETOT(band)= -0.234047 trlgG= -0.294640 logG= -0.058481 TDE= -0.342578 logGD-logG0= -0.010246 tlogG= -0.047967 logG= -0.058213 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010470 tlogG= -0.047922 logG= -0.058392 logGD-logG0= -0.009991 tlogG= -0.048015 logG= -0.058005 Density= 0.214480 ETOT(band)= -0.234024 trlgG= -0.294018 logG= -0.058005 TDE= -0.342148 logGD-logG0= -0.010307 tlogG= -0.047773 logG= -0.058080 Density= 0.214604 ETOT(band)= -0.233995 trlgG= -0.293932 logG= -0.058080 TDE= -0.342048 Density= 0.215839 ETOT(band)= -0.233622 trlgG= -0.294552 logG= -0.058392 TDE= -0.342968 Density= 0.215020 ETOT(band)= -0.233911 trlgG= -0.294197 logG= -0.058213 TDE= -0.342386 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010544 tlogG= -0.047510 logG= -0.058053 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215644 ETOT(band)= -0.233505 trlgG= -0.293989 logG= -0.058053 TDE= -0.342648 logGD-logG0= -0.009793 tlogG= -0.045637 logG= -0.055430 Density= 0.215100 ETOT(band)= -0.232313 trlgG= -0.289873 logG= -0.055430 TDE= -0.340884 logGD-logG0= -0.010329 tlogG= -0.047300 logG= -0.057629 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214212 ETOT(band)= -0.233894 trlgG= -0.293184 logG= -0.057629 TDE= -0.341557 logGD-logG0= -0.010104 tlogG= -0.047648 logG= -0.057753 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213900 ETOT(band)= -0.234100 trlgG= -0.293707 logG= -0.057753 TDE= -0.341802 logGD-logG0= -0.010105 tlogG= -0.046401 logG= -0.056506 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215164 ETOT(band)= -0.232876 trlgG= -0.291504 logG= -0.056506 TDE= -0.341473 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002448 tlogG= -0.010838 logG= -0.013286 Density= 0.054050 ETOT(band)= -0.057574 trlgG= -0.071512 logG= -0.013286 TDE= -0.084973 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009716 tlogG= -0.047210 logG= -0.056926 Density= 0.214427 ETOT(band)= -0.233462 trlgG= -0.292597 logG= -0.056926 TDE= -0.341780 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010542 tlogG= -0.046869 logG= -0.057412 Density= 0.215375 ETOT(band)= -0.233268 trlgG= -0.292948 logG= -0.057412 TDE= -0.342115 logGD-logG0= -0.010591 tlogG= -0.048134 logG= -0.058725 logGD-logG0= -0.010016 tlogG= -0.047140 logG= -0.057157 Density= 0.215368 ETOT(band)= -0.234074 trlgG= -0.295078 logG= -0.058725 TDE= -0.342928 Density= 0.215098 ETOT(band)= -0.233277 trlgG= -0.292520 logG= -0.057157 TDE= -0.341805 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.047412 logG= -0.057912 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215413 ETOT(band)= -0.233545 trlgG= -0.293748 logG= -0.057912 TDE= -0.342433 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047870 logG= -0.058394 Density= 0.215711 ETOT(band)= -0.233694 trlgG= -0.294553 logG= -0.058394 TDE= -0.342904 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004873 tlogG= -0.021558 logG= -0.026431 Density= 0.108486 ETOT(band)= -0.114847 trlgG= -0.142768 logG= -0.026431 TDE= -0.170021 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.021869 logG= -0.026828 Density= 0.108296 ETOT(band)= -0.115213 trlgG= -0.143447 logG= -0.026828 TDE= -0.170210 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.021812 logG= -0.026850 Density= 0.107763 ETOT(band)= -0.115501 trlgG= -0.143506 logG= -0.026850 TDE= -0.169983 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004979 tlogG= -0.021688 logG= -0.026667 Density= 0.107906 ETOT(band)= -0.115309 trlgG= -0.143198 logG= -0.026667 TDE= -0.169927 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009952 tlogG= -0.043378 logG= -0.053330 Density= 0.216224 ETOT(band)= -0.230408 trlgG= -0.286373 logG= -0.053330 TDE= -0.340041 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004262 tlogG= -0.024124 logG= -0.028386 Density= 0.212129 ETOT(band)= -0.234301 trlgG= -0.293560 logG= -0.028386 TDE= -0.170926 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004396 tlogG= -0.023733 logG= -0.028129 Density= 0.213043 ETOT(band)= -0.233515 trlgG= -0.291640 logG= -0.028129 TDE= -0.170728 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001178 tlogG= -0.005170 logG= -0.006348 Density= 0.062526 ETOT(band)= -0.067525 trlgG= -0.084174 logG= -0.006348 TDE= -0.042348 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001421 tlogG= -0.007963 logG= -0.009384 Density= 0.070852 ETOT(band)= -0.077926 trlgG= -0.097411 logG= -0.009384 TDE= -0.056945 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001197 tlogG= -0.005306 logG= -0.006502 Density= 0.081537 ETOT(band)= -0.085665 trlgG= -0.106172 logG= -0.006502 TDE= -0.042449 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001682 tlogG= -0.007115 logG= -0.008797 Density= 0.072212 ETOT(band)= -0.076460 trlgG= -0.094807 logG= -0.008797 TDE= -0.056607 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001560 tlogG= -0.007586 logG= -0.009146 Density= 0.071481 ETOT(band)= -0.077325 trlgG= -0.096116 logG= -0.009146 TDE= -0.056720 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.021345 logG= -0.026301 Density= 0.216965 ETOT(band)= -0.229120 trlgG= -0.284178 logG= -0.026301 TDE= -0.169847 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001269 tlogG= -0.005937 logG= -0.007206 logGD-logG0= -0.001229 tlogG= -0.005618 logG= -0.006847 Density= 0.080818 ETOT(band)= -0.086944 trlgG= -0.108565 logG= -0.006847 TDE= -0.042658 Density= 0.080811 ETOT(band)= -0.087624 trlgG= -0.110319 logG= -0.007206 TDE= -0.042853 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005853 logG= -0.007118 Density= 0.080628 ETOT(band)= -0.087588 trlgG= -0.110122 logG= -0.007118 TDE= -0.042799 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005746 logG= -0.006996 logGD-logG0= -0.001268 tlogG= -0.005981 logG= -0.007249 Density= 0.080617 ETOT(band)= -0.087372 trlgG= -0.109567 logG= -0.006996 TDE= -0.042734 Density= 0.081039 ETOT(band)= -0.087527 trlgG= -0.110374 logG= -0.007249 TDE= -0.042883 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.023949 logG= -0.028991 Density= 0.214289 ETOT(band)= -0.234028 trlgG= -0.293791 logG= -0.028991 TDE= -0.171012 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004539 tlogG= -0.023967 logG= -0.028505 Density= 0.212764 ETOT(band)= -0.234200 trlgG= -0.293364 logG= -0.028505 TDE= -0.170781 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.022960 logG= -0.028106 Density= 0.216170 ETOT(band)= -0.232022 trlgG= -0.290476 logG= -0.028106 TDE= -0.170851 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023990 logG= -0.029146 Density= 0.216296 ETOT(band)= -0.233278 trlgG= -0.294235 logG= -0.029146 TDE= -0.171544 logGD-logG0= -0.005192 tlogG= -0.023991 logG= -0.029184 Density= 0.215629 ETOT(band)= -0.233794 trlgG= -0.294707 logG= -0.029184 TDE= -0.171526 logGD-logG0= -0.004747 tlogG= -0.023237 logG= -0.027984 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213453 ETOT(band)= -0.233545 trlgG= -0.292101 logG= -0.027984 TDE= -0.170693 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023190 logG= -0.028321 Density= 0.214818 ETOT(band)= -0.232889 trlgG= -0.291102 logG= -0.028321 TDE= -0.170567 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023350 logG= -0.028747 Density= 0.215054 ETOT(band)= -0.233289 trlgG= -0.292596 logG= -0.028747 TDE= -0.170911 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023477 logG= -0.028692 Density= 0.215162 ETOT(band)= -0.233263 trlgG= -0.292790 logG= -0.028692 TDE= -0.171117 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.023998 logG= -0.028734 Density= 0.321490 ETOT(band)= -0.351007 trlgG= -0.441158 logG= -0.028734 TDE= -0.171174 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.023790 logG= -0.029015 Density= 0.215279 ETOT(band)= -0.233699 trlgG= -0.294053 logG= -0.029015 TDE= -0.171374 logGD-logG0= -0.004648 tlogG= -0.023360 logG= -0.028008 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321562 ETOT(band)= -0.349959 trlgG= -0.438583 logG= -0.028008 TDE= -0.170850 logGD-logG0= -0.001216 tlogG= -0.005466 logG= -0.006683 Density= 0.081180 ETOT(band)= -0.086332 trlgG= -0.107330 logG= -0.006683 TDE= -0.042561 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005175 tlogG= -0.023406 logG= -0.028581 Density= 0.216141 ETOT(band)= -0.232596 trlgG= -0.292091 logG= -0.028581 TDE= -0.171138 logGD-logG0= -0.004877 tlogG= -0.023878 logG= -0.028755 logGD-logG0= -0.005285 tlogG= -0.024111 logG= -0.029396 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215662 ETOT(band)= -0.233949 trlgG= -0.295121 logG= -0.029396 TDE= -0.171558 Density= 0.213740 ETOT(band)= -0.233941 trlgG= -0.292881 logG= -0.028755 TDE= -0.170741 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.022433 logG= -0.027516 Density= 0.216316 ETOT(band)= -0.231224 trlgG= -0.288493 logG= -0.027516 TDE= -0.170517 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010341 tlogG= -0.047767 logG= -0.058108 Density= 0.324263 ETOT(band)= -0.349822 trlgG= -0.440851 logG= -0.058108 TDE= -0.342928 logGD-logG0= -0.005038 tlogG= -0.023839 logG= -0.028877 Density= 0.215440 ETOT(band)= -0.233695 trlgG= -0.294156 logG= -0.028877 TDE= -0.171061 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023947 logG= -0.029096 Density= 0.216329 ETOT(band)= -0.233175 trlgG= -0.294003 logG= -0.029096 TDE= -0.171517 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.024155 logG= -0.029162 Density= 0.322360 ETOT(band)= -0.351123 trlgG= -0.441837 logG= -0.029162 TDE= -0.171181 logGD-logG0= -0.004451 tlogG= -0.023580 logG= -0.028031 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212576 ETOT(band)= -0.233921 trlgG= -0.292613 logG= -0.028031 TDE= -0.170643 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023828 logG= -0.028626 Density= 0.213526 ETOT(band)= -0.234078 trlgG= -0.293617 logG= -0.028626 TDE= -0.170997 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024149 logG= -0.029131 Density= 0.214688 ETOT(band)= -0.234101 trlgG= -0.294407 logG= -0.029131 TDE= -0.171185 logGD-logG0= -0.004704 tlogG= -0.023999 logG= -0.028702 Density= 0.214071 ETOT(band)= -0.234018 trlgG= -0.294008 logG= -0.028702 TDE= -0.171179 logGD-logG0= -0.005168 tlogG= -0.023753 logG= -0.028921 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216220 ETOT(band)= -0.232976 trlgG= -0.293299 logG= -0.028921 TDE= -0.171376 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.045620 logG= -0.055722 logGD-logG0= -0.001571 tlogG= -0.006872 logG= -0.008443 Density= 0.040837 ETOT(band)= -0.042663 trlgG= -0.052779 logG= -0.008443 TDE= -0.056447 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323965 ETOT(band)= -0.347852 trlgG= -0.434798 logG= -0.055722 TDE= -0.341357 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010386 tlogG= -0.047217 logG= -0.057603 Density= 0.324047 ETOT(band)= -0.349454 trlgG= -0.439502 logG= -0.057603 TDE= -0.342536 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004564 tlogG= -0.023884 logG= -0.028448 Density= 0.213236 ETOT(band)= -0.233791 trlgG= -0.292372 logG= -0.028448 TDE= -0.170733 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010382 tlogG= -0.046398 logG= -0.056780 Density= 0.323914 ETOT(band)= -0.348797 trlgG= -0.437416 logG= -0.056780 TDE= -0.341980 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023947 logG= -0.029265 Density= 0.323575 ETOT(band)= -0.350564 trlgG= -0.441934 logG= -0.029265 TDE= -0.171430 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004993 tlogG= -0.023239 logG= -0.028231 Density= 0.321627 ETOT(band)= -0.350466 trlgG= -0.439434 logG= -0.028231 TDE= -0.170804 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.024078 logG= -0.029289 Density= 0.322979 ETOT(band)= -0.351097 trlgG= -0.442487 logG= -0.029289 TDE= -0.171371 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010619 tlogG= -0.048025 logG= -0.058644 logGD-logG0= -0.009611 tlogG= -0.046591 logG= -0.056202 Density= 0.322630 ETOT(band)= -0.348916 trlgG= -0.436229 logG= -0.056202 TDE= -0.341510 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323163 ETOT(band)= -0.350890 trlgG= -0.442185 logG= -0.058644 TDE= -0.342918 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023888 logG= -0.029221 Density= 0.215589 ETOT(band)= -0.233696 trlgG= -0.294435 logG= -0.029221 TDE= -0.171382 logGD-logG0= -0.009372 tlogG= -0.046702 logG= -0.056074 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.023674 logG= -0.029055 logGD-logG0= -0.010071 tlogG= -0.048133 logG= -0.058204 Density= 0.427800 ETOT(band)= -0.465993 trlgG= -0.581603 logG= -0.056074 TDE= -0.341117 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429196 ETOT(band)= -0.468136 trlgG= -0.588375 logG= -0.058204 TDE= -0.342211 logGD-logG0= -0.009568 tlogG= -0.047823 logG= -0.057391 Density= 0.427938 ETOT(band)= -0.468020 trlgG= -0.587602 logG= -0.057391 TDE= -0.342163 Density= 0.215353 ETOT(band)= -0.233548 trlgG= -0.293737 logG= -0.029055 TDE= -0.171204 logGD-logG0= -0.004930 tlogG= -0.022900 logG= -0.027830 Density= 0.214748 ETOT(band)= -0.232334 trlgG= -0.289573 logG= -0.027830 TDE= -0.170382 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008881 tlogG= -0.048083 logG= -0.056964 Density= 0.425446 ETOT(band)= -0.468198 trlgG= -0.586213 logG= -0.056964 TDE= -0.341677 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010203 tlogG= -0.048208 logG= -0.058411 Density= 0.429929 ETOT(band)= -0.468142 trlgG= -0.589141 logG= -0.058411 TDE= -0.342422 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009431 tlogG= -0.046592 logG= -0.056023 Density= 0.428001 ETOT(band)= -0.466716 trlgG= -0.584210 logG= -0.056023 TDE= -0.341534 logGD-logG0= -0.010179 tlogG= -0.047655 logG= -0.057834 Density= 0.428191 ETOT(band)= -0.468004 trlgG= -0.586934 logG= -0.057834 TDE= -0.341804 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.047760 logG= -0.057283 logGD-logG0= -0.010239 tlogG= -0.047942 logG= -0.058181 Density= 0.429100 ETOT(band)= -0.468097 trlgG= -0.588018 logG= -0.058181 TDE= -0.342048 Density= 0.427081 ETOT(band)= -0.467780 trlgG= -0.585586 logG= -0.057283 TDE= -0.341396 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010692 tlogG= -0.047673 logG= -0.058365 Density= 0.430980 ETOT(band)= -0.467342 trlgG= -0.588467 logG= -0.058365 TDE= -0.342672 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009743 tlogG= -0.047839 logG= -0.057582 logGD-logG0= -0.009569 tlogG= -0.047641 logG= -0.057211 Density= 0.426578 ETOT(band)= -0.468229 trlgG= -0.586730 logG= -0.057211 TDE= -0.341694 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429033 ETOT(band)= -0.467799 trlgG= -0.587581 logG= -0.057582 TDE= -0.342152 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023363 logG= -0.027979 Density= 0.214135 ETOT(band)= -0.233305 trlgG= -0.292216 logG= -0.027979 TDE= -0.170858 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010412 tlogG= -0.048058 logG= -0.058470 Density= 0.430035 ETOT(band)= -0.467972 trlgG= -0.588814 logG= -0.058470 TDE= -0.342547 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009859 tlogG= -0.046386 logG= -0.056245 logGD-logG0= -0.010242 tlogG= -0.046918 logG= -0.057160 Density= 0.429432 ETOT(band)= -0.465427 trlgG= -0.581285 logG= -0.056245 TDE= -0.341230 Density= 0.429777 ETOT(band)= -0.466344 trlgG= -0.583980 logG= -0.057160 TDE= -0.341517 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009924 tlogG= -0.047544 logG= -0.057468 Density= 0.428508 ETOT(band)= -0.467349 trlgG= -0.585977 logG= -0.057468 TDE= -0.341850 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010580 tlogG= -0.047718 logG= -0.058298 Density= 0.430641 ETOT(band)= -0.467398 trlgG= -0.588105 logG= -0.058298 TDE= -0.342565 logGD-logG0= -0.010166 tlogG= -0.047557 logG= -0.057723 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429904 ETOT(band)= -0.466992 trlgG= -0.585909 logG= -0.057723 TDE= -0.341962 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047256 logG= -0.057896 Density= 0.430373 ETOT(band)= -0.466973 trlgG= -0.586634 logG= -0.057896 TDE= -0.342181 logGD-logG0= -0.010617 tlogG= -0.047997 logG= -0.058614 Density= 0.431219 ETOT(band)= -0.467625 trlgG= -0.589459 logG= -0.058614 TDE= -0.342936 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.022321 logG= -0.027121 Density= 0.322798 ETOT(band)= -0.347885 trlgG= -0.433840 logG= -0.027121 TDE= -0.170199 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004874 tlogG= -0.021295 logG= -0.026169 Density= 0.162606 ETOT(band)= -0.172942 trlgG= -0.215837 logG= -0.026169 TDE= -0.169834 logGD-logG0= -0.004760 tlogG= -0.022320 logG= -0.027080 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214979 ETOT(band)= -0.231888 trlgG= -0.288973 logG= -0.027080 TDE= -0.170204 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009896 tlogG= -0.044611 logG= -0.054507 Density= 0.324208 ETOT(band)= -0.346583 trlgG= -0.431791 logG= -0.054507 TDE= -0.340681 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022285 logG= -0.027198 Density= 0.214214 ETOT(band)= -0.232374 trlgG= -0.289324 logG= -0.027198 TDE= -0.170117 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.022467 logG= -0.027348 Density= 0.214974 ETOT(band)= -0.231599 trlgG= -0.287931 logG= -0.027348 TDE= -0.170130 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.021873 logG= -0.026919 Density= 0.216573 ETOT(band)= -0.230226 trlgG= -0.286379 logG= -0.026919 TDE= -0.170178 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004915 tlogG= -0.021200 logG= -0.026115 Density= 0.216293 ETOT(band)= -0.229978 trlgG= -0.285431 logG= -0.026115 TDE= -0.169753 logGD-logG0= -0.009746 tlogG= -0.044612 logG= -0.054358 Density= 0.431505 ETOT(band)= -0.461958 trlgG= -0.574515 logG= -0.054358 TDE= -0.340316 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.729587823764 eV TrLogG= -407.069921098067 eV Ratio to renormalize= 1.000271478177 rho-rho_expected=-0.005970898919 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964568782110226 0.940215876956662 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001475 tlogG= -0.007809 logG= -0.009284 Density= 0.035485 ETOT(band)= -0.038913 trlgG= -0.048585 logG= -0.009284 TDE= -0.056860 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004288 tlogG= -0.024045 logG= -0.028333 Density= 0.106096 ETOT(band)= -0.117126 trlgG= -0.146720 logG= -0.028333 TDE= -0.170889 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004315 tlogG= -0.023968 logG= -0.028283 Density= 0.106148 ETOT(band)= -0.117083 trlgG= -0.146607 logG= -0.028283 TDE= -0.170851 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023199 logG= -0.027789 Density= 0.106714 ETOT(band)= -0.116585 trlgG= -0.145402 logG= -0.027789 TDE= -0.170420 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.022984 logG= -0.027660 Density= 0.106849 ETOT(band)= -0.116454 trlgG= -0.145140 logG= -0.027660 TDE= -0.170354 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023495 logG= -0.028196 Density= 0.106750 ETOT(band)= -0.116776 trlgG= -0.145887 logG= -0.028196 TDE= -0.170516 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021812 logG= -0.026850 Density= 0.107763 ETOT(band)= -0.115502 trlgG= -0.143508 logG= -0.026850 TDE= -0.169985 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004979 tlogG= -0.021689 logG= -0.026668 Density= 0.107906 ETOT(band)= -0.115310 trlgG= -0.143199 logG= -0.026668 TDE= -0.169929 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002310 tlogG= -0.011880 logG= -0.014190 Density= 0.053549 ETOT(band)= -0.058383 trlgG= -0.073233 logG= -0.014190 TDE= -0.085542 logGD-logG0= -0.002587 tlogG= -0.012029 logG= -0.014616 Density= 0.053749 ETOT(band)= -0.058517 trlgG= -0.073652 logG= -0.014616 TDE= -0.085634 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004542 ETOT(band)= -0.004732 trlgG= -0.005850 logG= -0.001047 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002405 tlogG= -0.012078 logG= -0.014483 Density= 0.053571 ETOT(band)= -0.058527 trlgG= -0.073595 logG= -0.014483 TDE= -0.085621 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008042 logG= -0.009436 Density= 0.035306 ETOT(band)= -0.039063 trlgG= -0.048949 logG= -0.009436 TDE= -0.056984 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002317 tlogG= -0.011445 logG= -0.013762 Density= 0.053724 ETOT(band)= -0.058053 trlgG= -0.072469 logG= -0.013762 TDE= -0.085293 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002545 tlogG= -0.011980 logG= -0.014525 logGD-logG0= -0.005006 tlogG= -0.022451 logG= -0.027457 Density= 0.054122 ETOT(band)= -0.058280 trlgG= -0.073518 logG= -0.014525 TDE= -0.085775 Density= 0.108176 ETOT(band)= -0.115704 trlgG= -0.144504 logG= -0.027457 TDE= -0.170578 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023422 logG= -0.028540 logGD-logG0= -0.005247 tlogG= -0.024065 logG= -0.029312 Density= 0.108102 ETOT(band)= -0.116348 trlgG= -0.146225 logG= -0.028540 TDE= -0.171180 Density= 0.107615 ETOT(band)= -0.117035 trlgG= -0.147450 logG= -0.029312 TDE= -0.171391 logGD-logG0= -0.005075 tlogG= -0.022975 logG= -0.028050 Density= 0.108107 ETOT(band)= -0.116077 trlgG= -0.145451 logG= -0.028050 TDE= -0.170897 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.023942 logG= -0.029051 Density= 0.108198 ETOT(band)= -0.116585 trlgG= -0.147040 logG= -0.029051 TDE= -0.171530 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004511 tlogG= -0.024040 logG= -0.028551 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106366 ETOT(band)= -0.117116 trlgG= -0.146730 logG= -0.028551 TDE= -0.170815 logGD-logG0= -0.005123 tlogG= -0.023755 logG= -0.028878 Density= 0.108148 ETOT(band)= -0.116510 trlgG= -0.146761 logG= -0.028878 TDE= -0.171400 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.023863 logG= -0.028960 logGD-logG0= -0.005099 tlogG= -0.023597 logG= -0.028696 Density= 0.108174 ETOT(band)= -0.116394 trlgG= -0.146470 logG= -0.028696 TDE= -0.171304 logGD-logG0= -0.004833 tlogG= -0.022844 logG= -0.027676 logGD-logG0= -0.002614 tlogG= -0.011983 logG= -0.014597 Density= 0.053968 ETOT(band)= -0.058401 trlgG= -0.073638 logG= -0.014597 TDE= -0.085747 Density= 0.107722 ETOT(band)= -0.116059 trlgG= -0.144866 logG= -0.027676 TDE= -0.170495 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.023639 logG= -0.028603 Density= 0.108219 ETOT(band)= -0.116520 trlgG= -0.146891 logG= -0.028960 TDE= -0.171483 logGD-logG0= -0.004799 tlogG= -0.023682 logG= -0.028481 logGD-logG0= -0.005261 tlogG= -0.024077 logG= -0.029338 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023208 logG= -0.028276 Density= 0.108165 ETOT(band)= -0.116171 trlgG= -0.145807 logG= -0.028276 TDE= -0.171056 Density= 0.107353 ETOT(band)= -0.116688 trlgG= -0.146332 logG= -0.028481 TDE= -0.170975 logGD-logG0= -0.005293 tlogG= -0.024123 logG= -0.029417 Density= 0.107782 ETOT(band)= -0.117031 trlgG= -0.147639 logG= -0.029417 TDE= -0.171559 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107859 ETOT(band)= -0.116943 trlgG= -0.147515 logG= -0.029338 TDE= -0.171551 logGD-logG0= -0.004923 tlogG= -0.022164 logG= -0.027087 Density= 0.108332 ETOT(band)= -0.115398 trlgG= -0.143897 logG= -0.027087 TDE= -0.170418 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106954 ETOT(band)= -0.116895 trlgG= -0.146230 logG= -0.028603 TDE= -0.170553 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023897 logG= -0.029176 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107723 ETOT(band)= -0.116901 trlgG= -0.147236 logG= -0.029176 TDE= -0.171366 logGD-logG0= -0.005255 tlogG= -0.023677 logG= -0.028932 logGD-logG0= -0.004981 tlogG= -0.022403 logG= -0.027384 Density= 0.107609 ETOT(band)= -0.115929 trlgG= -0.144381 logG= -0.027384 TDE= -0.170248 logGD-logG0= -0.004678 tlogG= -0.023679 logG= -0.028357 Density= 0.106952 ETOT(band)= -0.116806 trlgG= -0.146421 logG= -0.028357 TDE= -0.170989 Density= 0.107205 ETOT(band)= -0.116968 trlgG= -0.146780 logG= -0.028932 TDE= -0.170899 logGD-logG0= -0.004646 tlogG= -0.023663 logG= -0.028309 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023960 logG= -0.029159 logGD-logG0= -0.005002 tlogG= -0.022727 logG= -0.027729 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108221 ETOT(band)= -0.115841 trlgG= -0.144940 logG= -0.027729 TDE= -0.170764 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107417 ETOT(band)= -0.117020 trlgG= -0.147176 logG= -0.029159 TDE= -0.171173 Density= 0.106575 ETOT(band)= -0.116922 trlgG= -0.146314 logG= -0.028309 TDE= -0.170744 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.023889 logG= -0.028758 Density= 0.106733 ETOT(band)= -0.117077 trlgG= -0.146842 logG= -0.028758 TDE= -0.170901 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.024086 logG= -0.029048 Density= 0.107353 ETOT(band)= -0.116999 trlgG= -0.147073 logG= -0.029048 TDE= -0.171149 logGD-logG0= -0.004850 tlogG= -0.024061 logG= -0.028911 logGD-logG0= -0.005079 tlogG= -0.022870 logG= -0.027949 Density= 0.107590 ETOT(band)= -0.116263 trlgG= -0.145277 logG= -0.027949 TDE= -0.170569 Density= 0.107031 ETOT(band)= -0.117060 trlgG= -0.147098 logG= -0.028911 TDE= -0.171150 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004710 tlogG= -0.022845 logG= -0.027555 Density= 0.107273 ETOT(band)= -0.116202 trlgG= -0.144990 logG= -0.027555 TDE= -0.170519 logGD-logG0= -0.005247 tlogG= -0.023861 logG= -0.029108 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107887 ETOT(band)= -0.116770 trlgG= -0.147131 logG= -0.029108 TDE= -0.171411 logGD-logG0= -0.005270 tlogG= -0.023191 logG= -0.028461 Density= 0.107656 ETOT(band)= -0.116512 trlgG= -0.146086 logG= -0.028461 TDE= -0.170899 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009722 tlogG= -0.048229 logG= -0.057951 Density= 0.214351 ETOT(band)= -0.234078 trlgG= -0.294271 logG= -0.057951 TDE= -0.342391 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009410 tlogG= -0.045748 logG= -0.055158 Density= 0.214969 ETOT(band)= -0.232239 trlgG= -0.289883 logG= -0.055158 TDE= -0.341103 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009042 tlogG= -0.047620 logG= -0.056662 logGD-logG0= -0.005236 tlogG= -0.024049 logG= -0.029285 logGD-logG0= -0.009588 tlogG= -0.047145 logG= -0.056733 logGD-logG0= -0.009868 tlogG= -0.047886 logG= -0.057753 Density= 0.213920 ETOT(band)= -0.234116 trlgG= -0.293958 logG= -0.057753 TDE= -0.342063 Density= 0.212881 ETOT(band)= -0.233967 trlgG= -0.292763 logG= -0.056662 TDE= -0.341446 Density= 0.107918 ETOT(band)= -0.116876 trlgG= -0.147427 logG= -0.029285 TDE= -0.171546 Density= 0.213720 ETOT(band)= -0.233670 trlgG= -0.292693 logG= -0.056733 TDE= -0.341719 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009689 tlogG= -0.045577 logG= -0.055266 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214316 ETOT(band)= -0.232587 trlgG= -0.290058 logG= -0.055266 TDE= -0.340847 logGD-logG0= -0.010443 tlogG= -0.047734 logG= -0.058177 logGD-logG0= -0.009742 tlogG= -0.047147 logG= -0.056889 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214705 ETOT(band)= -0.234004 trlgG= -0.294105 logG= -0.058177 TDE= -0.342174 Density= 0.213731 ETOT(band)= -0.233714 trlgG= -0.292486 logG= -0.056889 TDE= -0.341361 logGD-logG0= -0.010307 tlogG= -0.047774 logG= -0.058081 logGD-logG0= -0.010245 tlogG= -0.047968 logG= -0.058214 Density= 0.215020 ETOT(band)= -0.233913 trlgG= -0.294200 logG= -0.058214 TDE= -0.342389 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009361 tlogG= -0.047433 logG= -0.056795 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214605 ETOT(band)= -0.233997 trlgG= -0.293935 logG= -0.058081 TDE= -0.342051 logGD-logG0= -0.009468 tlogG= -0.047922 logG= -0.057390 Density= 0.213226 ETOT(band)= -0.234177 trlgG= -0.293406 logG= -0.057390 TDE= -0.341531 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214263 ETOT(band)= -0.233502 trlgG= -0.292826 logG= -0.056795 TDE= -0.342059 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.023571 logG= -0.028855 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107772 ETOT(band)= -0.116674 trlgG= -0.146716 logG= -0.028855 TDE= -0.171192 logGD-logG0= -0.010398 tlogG= -0.048069 logG= -0.058467 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001614 tlogG= -0.006990 logG= -0.008604 logGD-logG0= -0.002448 tlogG= -0.010838 logG= -0.013286 Density= 0.215017 ETOT(band)= -0.234058 trlgG= -0.294617 logG= -0.058467 TDE= -0.342551 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054050 ETOT(band)= -0.057574 trlgG= -0.071513 logG= -0.013286 TDE= -0.084973 Density= 0.036187 ETOT(band)= -0.038117 trlgG= -0.047230 logG= -0.008604 TDE= -0.056533 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010543 tlogG= -0.047511 logG= -0.058054 Density= 0.215645 ETOT(band)= -0.233507 trlgG= -0.293993 logG= -0.058054 TDE= -0.342651 logGD-logG0= -0.010329 tlogG= -0.047301 logG= -0.057630 Density= 0.214212 ETOT(band)= -0.233896 trlgG= -0.293187 logG= -0.057630 TDE= -0.341560 logGD-logG0= -0.010104 tlogG= -0.047650 logG= -0.057754 logGD-logG0= -0.010478 tlogG= -0.048004 logG= -0.058482 Density= 0.215054 ETOT(band)= -0.234049 trlgG= -0.294643 logG= -0.058482 TDE= -0.342581 logGD-logG0= -0.009793 tlogG= -0.045638 logG= -0.055431 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213901 ETOT(band)= -0.234103 trlgG= -0.293710 logG= -0.057754 TDE= -0.341805 logGD-logG0= -0.001680 tlogG= -0.007303 logG= -0.008982 Density= 0.035836 ETOT(band)= -0.038565 trlgG= -0.047889 logG= -0.008982 TDE= -0.056640 Density= 0.215100 ETOT(band)= -0.232315 trlgG= -0.289876 logG= -0.055431 TDE= -0.340887 logGD-logG0= -0.010469 tlogG= -0.047923 logG= -0.058393 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009991 tlogG= -0.048016 logG= -0.058006 Density= 0.214481 ETOT(band)= -0.234026 trlgG= -0.294021 logG= -0.058006 TDE= -0.342151 Density= 0.215839 ETOT(band)= -0.233624 trlgG= -0.294556 logG= -0.058393 TDE= -0.342971 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010590 tlogG= -0.048135 logG= -0.058726 Density= 0.215369 ETOT(band)= -0.234076 trlgG= -0.295081 logG= -0.058726 TDE= -0.342931 logGD-logG0= -0.010500 tlogG= -0.047413 logG= -0.057912 Density= 0.215413 ETOT(band)= -0.233547 trlgG= -0.293751 logG= -0.057912 TDE= -0.342436 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.047872 logG= -0.058395 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215712 ETOT(band)= -0.233696 trlgG= -0.294556 logG= -0.058395 TDE= -0.342906 logGD-logG0= -0.010104 tlogG= -0.046402 logG= -0.056507 Density= 0.215165 ETOT(band)= -0.232878 trlgG= -0.291508 logG= -0.056507 TDE= -0.341475 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009716 tlogG= -0.047211 logG= -0.056927 Density= 0.214428 ETOT(band)= -0.233464 trlgG= -0.292601 logG= -0.056927 TDE= -0.341783 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010542 tlogG= -0.046870 logG= -0.057413 Density= 0.215376 ETOT(band)= -0.233270 trlgG= -0.292951 logG= -0.057413 TDE= -0.342117 logGD-logG0= -0.002387 tlogG= -0.010424 logG= -0.012811 logGD-logG0= -0.010016 tlogG= -0.047141 logG= -0.057158 Density= 0.215099 ETOT(band)= -0.233279 trlgG= -0.292524 logG= -0.057158 TDE= -0.341808 Density= 0.054364 ETOT(band)= -0.057058 trlgG= -0.070668 logG= -0.012811 TDE= -0.084759 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021869 logG= -0.026828 Density= 0.108296 ETOT(band)= -0.115214 trlgG= -0.143449 logG= -0.026828 TDE= -0.170211 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004873 tlogG= -0.021559 logG= -0.026432 Density= 0.108486 ETOT(band)= -0.114848 trlgG= -0.142770 logG= -0.026432 TDE= -0.170023 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001421 tlogG= -0.007963 logG= -0.009384 Density= 0.070853 ETOT(band)= -0.077926 trlgG= -0.097412 logG= -0.009384 TDE= -0.056945 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.043379 logG= -0.053331 Density= 0.216225 ETOT(band)= -0.230410 trlgG= -0.286376 logG= -0.053331 TDE= -0.340044 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004262 tlogG= -0.024125 logG= -0.028387 Density= 0.212130 ETOT(band)= -0.234303 trlgG= -0.293563 logG= -0.028387 TDE= -0.170927 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004396 tlogG= -0.023734 logG= -0.028129 Density= 0.213044 ETOT(band)= -0.233517 trlgG= -0.291643 logG= -0.028129 TDE= -0.170729 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.020984 logG= -0.025776 Density= 0.108681 ETOT(band)= -0.114261 trlgG= -0.141615 logG= -0.025776 TDE= -0.169620 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004564 tlogG= -0.023885 logG= -0.028449 Density= 0.213237 ETOT(band)= -0.233793 trlgG= -0.292375 logG= -0.028449 TDE= -0.170734 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023580 logG= -0.028031 Density= 0.212577 ETOT(band)= -0.233923 trlgG= -0.292617 logG= -0.028031 TDE= -0.170645 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004913 tlogG= -0.022286 logG= -0.027199 Density= 0.214215 ETOT(band)= -0.232376 trlgG= -0.289327 logG= -0.027199 TDE= -0.170118 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.022468 logG= -0.027348 Density= 0.214975 ETOT(band)= -0.231601 trlgG= -0.287934 logG= -0.027348 TDE= -0.170131 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.021201 logG= -0.026116 Density= 0.216293 ETOT(band)= -0.229980 trlgG= -0.285434 logG= -0.026116 TDE= -0.169755 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001269 tlogG= -0.005937 logG= -0.007206 Density= 0.080811 ETOT(band)= -0.087624 trlgG= -0.110321 logG= -0.007206 TDE= -0.042854 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005746 logG= -0.006996 Density= 0.080617 ETOT(band)= -0.087373 trlgG= -0.109568 logG= -0.006996 TDE= -0.042734 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005854 logG= -0.007118 Density= 0.080629 ETOT(band)= -0.087589 trlgG= -0.110123 logG= -0.007118 TDE= -0.042800 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005618 logG= -0.006847 Density= 0.080818 ETOT(band)= -0.086945 trlgG= -0.108566 logG= -0.006847 TDE= -0.042658 logGD-logG0= -0.005192 tlogG= -0.023992 logG= -0.029184 Density= 0.215630 ETOT(band)= -0.233796 trlgG= -0.294710 logG= -0.029184 TDE= -0.171527 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005982 logG= -0.007250 Density= 0.081039 ETOT(band)= -0.087528 trlgG= -0.110375 logG= -0.007250 TDE= -0.042884 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023991 logG= -0.029146 logGD-logG0= -0.005215 tlogG= -0.023478 logG= -0.028692 Density= 0.216296 ETOT(band)= -0.233280 trlgG= -0.294239 logG= -0.029146 TDE= -0.171545 logGD-logG0= -0.005225 tlogG= -0.023790 logG= -0.029016 Density= 0.215280 ETOT(band)= -0.233701 trlgG= -0.294056 logG= -0.029016 TDE= -0.171375 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215163 ETOT(band)= -0.233265 trlgG= -0.292793 logG= -0.028692 TDE= -0.171118 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.023999 logG= -0.028735 Density= 0.321491 ETOT(band)= -0.351010 trlgG= -0.441163 logG= -0.028735 TDE= -0.171176 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.023839 logG= -0.028877 Density= 0.215441 ETOT(band)= -0.233697 trlgG= -0.294159 logG= -0.028877 TDE= -0.171063 logGD-logG0= -0.005285 tlogG= -0.024112 logG= -0.029397 Density= 0.215662 ETOT(band)= -0.233951 trlgG= -0.295124 logG= -0.029397 TDE= -0.171559 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004539 tlogG= -0.023967 logG= -0.028506 logGD-logG0= -0.004648 tlogG= -0.023361 logG= -0.028008 Density= 0.321563 ETOT(band)= -0.349962 trlgG= -0.438587 logG= -0.028008 TDE= -0.170851 Density= 0.212764 ETOT(band)= -0.234202 trlgG= -0.293367 logG= -0.028506 TDE= -0.170782 logGD-logG0= -0.010102 tlogG= -0.045621 logG= -0.055723 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323966 ETOT(band)= -0.347855 trlgG= -0.434803 logG= -0.055723 TDE= -0.341360 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023948 logG= -0.029096 Density= 0.216330 ETOT(band)= -0.233177 trlgG= -0.294007 logG= -0.029096 TDE= -0.171518 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001178 tlogG= -0.005170 logG= -0.006348 logGD-logG0= -0.005174 tlogG= -0.023407 logG= -0.028581 logGD-logG0= -0.005168 tlogG= -0.023753 logG= -0.028922 Density= 0.216142 ETOT(band)= -0.232598 trlgG= -0.292095 logG= -0.028581 TDE= -0.171139 Density= 0.216221 ETOT(band)= -0.232978 trlgG= -0.293302 logG= -0.028922 TDE= -0.171377 Density= 0.062526 ETOT(band)= -0.067526 trlgG= -0.084175 logG= -0.006348 TDE= -0.042348 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004877 tlogG= -0.023879 logG= -0.028755 Density= 0.213740 ETOT(band)= -0.233943 trlgG= -0.292884 logG= -0.028755 TDE= -0.170743 logGD-logG0= -0.010386 tlogG= -0.047218 logG= -0.057604 Density= 0.324048 ETOT(band)= -0.349457 trlgG= -0.439507 logG= -0.057604 TDE= -0.342539 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010340 tlogG= -0.047769 logG= -0.058109 Density= 0.324264 ETOT(band)= -0.349825 trlgG= -0.440855 logG= -0.058109 TDE= -0.342930 logGD-logG0= -0.005041 tlogG= -0.023950 logG= -0.028991 Density= 0.214290 ETOT(band)= -0.234030 trlgG= -0.293794 logG= -0.028991 TDE= -0.171013 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.024155 logG= -0.029163 Density= 0.322361 ETOT(band)= -0.351126 trlgG= -0.441842 logG= -0.029163 TDE= -0.171182 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010619 tlogG= -0.048026 logG= -0.058645 logGD-logG0= -0.005146 tlogG= -0.022960 logG= -0.028106 logGD-logG0= -0.004982 tlogG= -0.024150 logG= -0.029131 Density= 0.214689 ETOT(band)= -0.234103 trlgG= -0.294411 logG= -0.029131 TDE= -0.171186 Density= 0.323164 ETOT(band)= -0.350893 trlgG= -0.442190 logG= -0.058645 TDE= -0.342921 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216171 ETOT(band)= -0.232024 trlgG= -0.290479 logG= -0.028106 TDE= -0.170852 logGD-logG0= -0.010381 tlogG= -0.046399 logG= -0.056781 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323915 ETOT(band)= -0.348800 trlgG= -0.437421 logG= -0.056781 TDE= -0.341983 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.024078 logG= -0.029290 Density= 0.322980 ETOT(band)= -0.351100 trlgG= -0.442492 logG= -0.029290 TDE= -0.171372 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023889 logG= -0.029221 Density= 0.215590 ETOT(band)= -0.233698 trlgG= -0.294438 logG= -0.029221 TDE= -0.171383 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001570 tlogG= -0.006873 logG= -0.008443 Density= 0.040837 ETOT(band)= -0.042663 trlgG= -0.052780 logG= -0.008443 TDE= -0.056448 logGD-logG0= -0.004747 tlogG= -0.023237 logG= -0.027984 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004798 tlogG= -0.023829 logG= -0.028627 Density= 0.213526 ETOT(band)= -0.234081 trlgG= -0.293621 logG= -0.028627 TDE= -0.170998 Density= 0.213454 ETOT(band)= -0.233547 trlgG= -0.292104 logG= -0.027984 TDE= -0.170695 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004993 tlogG= -0.023239 logG= -0.028232 logGD-logG0= -0.004616 tlogG= -0.023364 logG= -0.027980 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321628 ETOT(band)= -0.350469 trlgG= -0.439439 logG= -0.028232 TDE= -0.170805 Density= 0.214136 ETOT(band)= -0.233307 trlgG= -0.292219 logG= -0.027980 TDE= -0.170859 logGD-logG0= -0.005318 tlogG= -0.023948 logG= -0.029265 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323576 ETOT(band)= -0.350567 trlgG= -0.441939 logG= -0.029265 TDE= -0.171431 logGD-logG0= -0.009610 tlogG= -0.046593 logG= -0.056203 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322631 ETOT(band)= -0.348919 trlgG= -0.436233 logG= -0.056203 TDE= -0.341512 logGD-logG0= -0.004703 tlogG= -0.023999 logG= -0.028703 logGD-logG0= -0.004930 tlogG= -0.022900 logG= -0.027830 Density= 0.214749 ETOT(band)= -0.232336 trlgG= -0.289576 logG= -0.027830 TDE= -0.170383 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214072 ETOT(band)= -0.234020 trlgG= -0.294011 logG= -0.028703 TDE= -0.171180 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008881 tlogG= -0.048084 logG= -0.056965 Density= 0.425447 ETOT(band)= -0.468203 trlgG= -0.586219 logG= -0.056965 TDE= -0.341679 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009568 tlogG= -0.047825 logG= -0.057392 Density= 0.427940 ETOT(band)= -0.468024 trlgG= -0.587608 logG= -0.057392 TDE= -0.342166 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007586 logG= -0.009146 Density= 0.071482 ETOT(band)= -0.077326 trlgG= -0.096117 logG= -0.009146 TDE= -0.056721 logGD-logG0= -0.010239 tlogG= -0.047943 logG= -0.058182 logGD-logG0= -0.005130 tlogG= -0.023191 logG= -0.028321 Density= 0.429101 ETOT(band)= -0.468101 trlgG= -0.588024 logG= -0.058182 TDE= -0.342051 Density= 0.214818 ETOT(band)= -0.232891 trlgG= -0.291105 logG= -0.028321 TDE= -0.170569 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009372 tlogG= -0.046703 logG= -0.056074 Density= 0.427801 ETOT(band)= -0.465997 trlgG= -0.581610 logG= -0.056074 TDE= -0.341120 logGD-logG0= -0.005083 tlogG= -0.022434 logG= -0.027517 Density= 0.216317 ETOT(band)= -0.231226 trlgG= -0.288496 logG= -0.027517 TDE= -0.170519 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.047656 logG= -0.057835 logGD-logG0= -0.010071 tlogG= -0.048134 logG= -0.058205 Density= 0.429197 ETOT(band)= -0.468140 trlgG= -0.588382 logG= -0.058205 TDE= -0.342213 logGD-logG0= -0.010412 tlogG= -0.048059 logG= -0.058471 Density= 0.430037 ETOT(band)= -0.467976 trlgG= -0.588821 logG= -0.058471 TDE= -0.342550 logGD-logG0= -0.005397 tlogG= -0.023350 logG= -0.028747 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428192 ETOT(band)= -0.468008 trlgG= -0.586941 logG= -0.057835 TDE= -0.341807 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215055 ETOT(band)= -0.233291 trlgG= -0.292599 logG= -0.028747 TDE= -0.170912 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009431 tlogG= -0.046593 logG= -0.056024 Density= 0.428003 ETOT(band)= -0.466720 trlgG= -0.584216 logG= -0.056024 TDE= -0.341536 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.021296 logG= -0.026170 Density= 0.162606 ETOT(band)= -0.172943 trlgG= -0.215839 logG= -0.026170 TDE= -0.169835 logGD-logG0= -0.010691 tlogG= -0.047674 logG= -0.058366 Density= 0.430981 ETOT(band)= -0.467346 trlgG= -0.588473 logG= -0.058366 TDE= -0.342674 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009569 tlogG= -0.047642 logG= -0.057211 Density= 0.426580 ETOT(band)= -0.468233 trlgG= -0.586737 logG= -0.057211 TDE= -0.341697 logGD-logG0= -0.009524 tlogG= -0.047761 logG= -0.057284 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427083 ETOT(band)= -0.467784 trlgG= -0.585592 logG= -0.057284 TDE= -0.341399 logGD-logG0= -0.010203 tlogG= -0.048209 logG= -0.058412 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429930 ETOT(band)= -0.468146 trlgG= -0.589148 logG= -0.058412 TDE= -0.342425 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010580 tlogG= -0.047719 logG= -0.058299 Density= 0.430642 ETOT(band)= -0.467402 trlgG= -0.588112 logG= -0.058299 TDE= -0.342567 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009859 tlogG= -0.046387 logG= -0.056246 Density= 0.429434 ETOT(band)= -0.465431 trlgG= -0.581292 logG= -0.056246 TDE= -0.341233 logGD-logG0= -0.009743 tlogG= -0.047840 logG= -0.057583 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429034 ETOT(band)= -0.467803 trlgG= -0.587587 logG= -0.057583 TDE= -0.342154 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009924 tlogG= -0.047545 logG= -0.057469 Density= 0.428509 ETOT(band)= -0.467353 trlgG= -0.585983 logG= -0.057469 TDE= -0.341852 logGD-logG0= -0.010616 tlogG= -0.047999 logG= -0.058615 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431220 ETOT(band)= -0.467629 trlgG= -0.589466 logG= -0.058615 TDE= -0.342939 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.023675 logG= -0.029055 Density= 0.215354 ETOT(band)= -0.233550 trlgG= -0.293740 logG= -0.029055 TDE= -0.171206 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010242 tlogG= -0.046919 logG= -0.057161 Density= 0.429778 ETOT(band)= -0.466349 trlgG= -0.583987 logG= -0.057161 TDE= -0.341520 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010166 tlogG= -0.047558 logG= -0.057724 Density= 0.429905 ETOT(band)= -0.466996 trlgG= -0.585915 logG= -0.057724 TDE= -0.341964 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.047257 logG= -0.057897 Density= 0.430374 ETOT(band)= -0.466977 trlgG= -0.586641 logG= -0.057897 TDE= -0.342184 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001216 tlogG= -0.005467 logG= -0.006683 logGD-logG0= -0.004800 tlogG= -0.022322 logG= -0.027121 Density= 0.322799 ETOT(band)= -0.347888 trlgG= -0.433845 logG= -0.027121 TDE= -0.170200 Density= 0.081180 ETOT(band)= -0.086333 trlgG= -0.107331 logG= -0.006683 TDE= -0.042561 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009896 tlogG= -0.044612 logG= -0.054508 Density= 0.324209 ETOT(band)= -0.346586 trlgG= -0.431796 logG= -0.054508 TDE= -0.340684 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001682 tlogG= -0.007115 logG= -0.008797 logGD-logG0= -0.001197 tlogG= -0.005306 logG= -0.006503 Density= 0.081537 ETOT(band)= -0.085666 trlgG= -0.106174 logG= -0.006503 TDE= -0.042450 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.072212 ETOT(band)= -0.076460 trlgG= -0.094808 logG= -0.008797 TDE= -0.056608 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004760 tlogG= -0.022321 logG= -0.027080 Density= 0.214980 ETOT(band)= -0.231890 trlgG= -0.288977 logG= -0.027080 TDE= -0.170205 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005046 tlogG= -0.021874 logG= -0.026919 Density= 0.216574 ETOT(band)= -0.230228 trlgG= -0.286382 logG= -0.026919 TDE= -0.170179 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009746 tlogG= -0.044613 logG= -0.054359 Density= 0.431506 ETOT(band)= -0.461962 trlgG= -0.574522 logG= -0.054359 TDE= -0.340319 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004956 tlogG= -0.021345 logG= -0.026302 Density= 0.216965 ETOT(band)= -0.229122 trlgG= -0.284181 logG= -0.026302 TDE= -0.169848 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.732487084739 eV TrLogG= -407.074866151447 eV Ratio to renormalize= 1.000268401178 rho-rho_expected=-0.005903241472 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964563001284376 0.940205692468496 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004511 tlogG= -0.024042 logG= -0.028552 Density= 0.106366 ETOT(band)= -0.117117 trlgG= -0.146733 logG= -0.028552 TDE= -0.170816 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002405 tlogG= -0.012079 logG= -0.014484 Density= 0.053571 ETOT(band)= -0.058528 trlgG= -0.073596 logG= -0.014484 TDE= -0.085622 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023210 logG= -0.028277 Density= 0.108166 ETOT(band)= -0.116172 trlgG= -0.145809 logG= -0.028277 TDE= -0.171058 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005079 tlogG= -0.022871 logG= -0.027950 Density= 0.107591 ETOT(band)= -0.116264 trlgG= -0.145279 logG= -0.027950 TDE= -0.170570 logGD-logG0= -0.005002 tlogG= -0.022728 logG= -0.027730 Density= 0.108221 ETOT(band)= -0.115842 trlgG= -0.144942 logG= -0.027730 TDE= -0.170765 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004850 tlogG= -0.024063 logG= -0.028913 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107031 ETOT(band)= -0.117061 trlgG= -0.147100 logG= -0.028913 TDE= -0.171152 logGD-logG0= -0.004677 tlogG= -0.023681 logG= -0.028358 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106952 ETOT(band)= -0.116807 trlgG= -0.146423 logG= -0.028358 TDE= -0.170990 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023193 logG= -0.028462 Density= 0.107656 ETOT(band)= -0.116513 trlgG= -0.146089 logG= -0.028462 TDE= -0.170900 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002614 tlogG= -0.011984 logG= -0.014598 Density= 0.053968 ETOT(band)= -0.058401 trlgG= -0.073639 logG= -0.014598 TDE= -0.085747 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023962 logG= -0.029160 Density= 0.107417 ETOT(band)= -0.117022 trlgG= -0.147179 logG= -0.029160 TDE= -0.171174 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002448 tlogG= -0.010839 logG= -0.013286 Density= 0.054050 ETOT(band)= -0.057575 trlgG= -0.071514 logG= -0.013286 TDE= -0.084974 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004542 ETOT(band)= -0.004732 trlgG= -0.005850 logG= -0.001047 TDE= -0.007051 logGD-logG0= -0.002310 tlogG= -0.011881 logG= -0.014190 logGD-logG0= -0.009041 tlogG= -0.047623 logG= -0.056664 logGD-logG0= -0.005247 tlogG= -0.023863 logG= -0.029109 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053549 ETOT(band)= -0.058384 trlgG= -0.073234 logG= -0.014190 TDE= -0.085543 Density= 0.107887 ETOT(band)= -0.116771 trlgG= -0.147134 logG= -0.029109 TDE= -0.171412 Density= 0.212881 ETOT(band)= -0.233969 trlgG= -0.292768 logG= -0.056664 TDE= -0.341448 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002587 tlogG= -0.012030 logG= -0.014616 Density= 0.053749 ETOT(band)= -0.058517 trlgG= -0.073653 logG= -0.014616 TDE= -0.085635 logGD-logG0= -0.009689 tlogG= -0.045580 logG= -0.055269 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214316 ETOT(band)= -0.232589 trlgG= -0.290063 logG= -0.055269 TDE= -0.340849 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009793 tlogG= -0.045641 logG= -0.055433 Density= 0.215101 ETOT(band)= -0.232317 trlgG= -0.289880 logG= -0.055433 TDE= -0.340889 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002317 tlogG= -0.011445 logG= -0.013762 Density= 0.053724 ETOT(band)= -0.058053 trlgG= -0.072470 logG= -0.013762 TDE= -0.085294 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008042 logG= -0.009436 Density= 0.035306 ETOT(band)= -0.039064 trlgG= -0.048949 logG= -0.009436 TDE= -0.056984 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002545 tlogG= -0.011981 logG= -0.014525 Density= 0.054122 ETOT(band)= -0.058281 trlgG= -0.073519 logG= -0.014525 TDE= -0.085776 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.023757 logG= -0.028879 logGD-logG0= -0.005117 tlogG= -0.023424 logG= -0.028541 Density= 0.108102 ETOT(band)= -0.116349 trlgG= -0.146228 logG= -0.028541 TDE= -0.171181 logGD-logG0= -0.005006 tlogG= -0.022452 logG= -0.027458 Density= 0.108176 ETOT(band)= -0.115705 trlgG= -0.144506 logG= -0.027458 TDE= -0.170579 Density= 0.108148 ETOT(band)= -0.116511 trlgG= -0.146764 logG= -0.028879 TDE= -0.171402 logGD-logG0= -0.004288 tlogG= -0.024046 logG= -0.028334 Density= 0.106096 ETOT(band)= -0.117128 trlgG= -0.146722 logG= -0.028334 TDE= -0.170890 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.022977 logG= -0.028051 Density= 0.108107 ETOT(band)= -0.116078 trlgG= -0.145453 logG= -0.028051 TDE= -0.170899 logGD-logG0= -0.004923 tlogG= -0.022165 logG= -0.027088 logGD-logG0= -0.005247 tlogG= -0.024067 logG= -0.029314 Density= 0.107615 ETOT(band)= -0.117036 trlgG= -0.147453 logG= -0.029314 TDE= -0.171392 Density= 0.108332 ETOT(band)= -0.115399 trlgG= -0.143899 logG= -0.027088 TDE= -0.170419 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021870 logG= -0.026829 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108297 ETOT(band)= -0.115215 trlgG= -0.143451 logG= -0.026829 TDE= -0.170212 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.023943 logG= -0.029053 Density= 0.108199 ETOT(band)= -0.116586 trlgG= -0.147042 logG= -0.029053 TDE= -0.171532 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004832 tlogG= -0.022845 logG= -0.027678 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023599 logG= -0.028698 logGD-logG0= -0.004799 tlogG= -0.023683 logG= -0.028482 Density= 0.107722 ETOT(band)= -0.116060 trlgG= -0.144868 logG= -0.027678 TDE= -0.170497 logGD-logG0= -0.005255 tlogG= -0.023679 logG= -0.028934 Density= 0.107353 ETOT(band)= -0.116689 trlgG= -0.146335 logG= -0.028482 TDE= -0.170976 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107206 ETOT(band)= -0.116969 trlgG= -0.146783 logG= -0.028934 TDE= -0.170900 logGD-logG0= -0.005097 tlogG= -0.023865 logG= -0.028961 Density= 0.108174 ETOT(band)= -0.116396 trlgG= -0.146473 logG= -0.028698 TDE= -0.171305 logGD-logG0= -0.004963 tlogG= -0.023641 logG= -0.028604 Density= 0.106954 ETOT(band)= -0.116896 trlgG= -0.146232 logG= -0.028604 TDE= -0.170554 logGD-logG0= -0.004962 tlogG= -0.024087 logG= -0.029050 logGD-logG0= -0.005261 tlogG= -0.024079 logG= -0.029340 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108219 ETOT(band)= -0.116522 trlgG= -0.146894 logG= -0.028961 TDE= -0.171484 logGD-logG0= -0.004981 tlogG= -0.022404 logG= -0.027385 Density= 0.107610 ETOT(band)= -0.115930 trlgG= -0.144384 logG= -0.027385 TDE= -0.170249 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107859 ETOT(band)= -0.116945 trlgG= -0.147518 logG= -0.029340 TDE= -0.171552 Density= 0.107353 ETOT(band)= -0.117000 trlgG= -0.147076 logG= -0.029050 TDE= -0.171150 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.024125 logG= -0.029418 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107783 ETOT(band)= -0.117032 trlgG= -0.147642 logG= -0.029418 TDE= -0.171560 logGD-logG0= -0.004590 tlogG= -0.023201 logG= -0.027790 Density= 0.106714 ETOT(band)= -0.116586 trlgG= -0.145404 logG= -0.027790 TDE= -0.170421 logGD-logG0= -0.005280 tlogG= -0.023898 logG= -0.029178 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.022985 logG= -0.027662 Density= 0.106849 ETOT(band)= -0.116455 trlgG= -0.145142 logG= -0.027662 TDE= -0.170355 Density= 0.107724 ETOT(band)= -0.116903 trlgG= -0.147238 logG= -0.029178 TDE= -0.171368 logGD-logG0= -0.004646 tlogG= -0.023665 logG= -0.028311 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106575 ETOT(band)= -0.116923 trlgG= -0.146317 logG= -0.028311 TDE= -0.170745 logGD-logG0= -0.004868 tlogG= -0.023890 logG= -0.028759 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023496 logG= -0.028197 Density= 0.106750 ETOT(band)= -0.116777 trlgG= -0.145889 logG= -0.028197 TDE= -0.170518 Density= 0.106733 ETOT(band)= -0.117079 trlgG= -0.146845 logG= -0.028759 TDE= -0.170902 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004710 tlogG= -0.022847 logG= -0.027557 Density= 0.107273 ETOT(band)= -0.116203 trlgG= -0.144992 logG= -0.027557 TDE= -0.170520 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.024051 logG= -0.029286 Density= 0.107918 ETOT(band)= -0.116878 trlgG= -0.147430 logG= -0.029286 TDE= -0.171547 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009409 tlogG= -0.045751 logG= -0.055160 Density= 0.214969 ETOT(band)= -0.232241 trlgG= -0.289888 logG= -0.055160 TDE= -0.341105 logGD-logG0= -0.005284 tlogG= -0.023572 logG= -0.028856 Density= 0.107772 ETOT(band)= -0.116675 trlgG= -0.146718 logG= -0.028856 TDE= -0.171193 logGD-logG0= -0.009722 tlogG= -0.048233 logG= -0.057954 Density= 0.214351 ETOT(band)= -0.234081 trlgG= -0.294277 logG= -0.057954 TDE= -0.342394 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009588 tlogG= -0.047148 logG= -0.056736 logGD-logG0= -0.009468 tlogG= -0.047925 logG= -0.057393 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213720 ETOT(band)= -0.233672 trlgG= -0.292699 logG= -0.056736 TDE= -0.341722 Density= 0.213226 ETOT(band)= -0.234180 trlgG= -0.293412 logG= -0.057393 TDE= -0.341534 logGD-logG0= -0.009868 tlogG= -0.047889 logG= -0.057756 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007809 logG= -0.009285 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035485 ETOT(band)= -0.038913 trlgG= -0.048586 logG= -0.009285 TDE= -0.056861 logGD-logG0= -0.004315 tlogG= -0.023969 logG= -0.028284 Density= 0.106148 ETOT(band)= -0.117084 trlgG= -0.146609 logG= -0.028284 TDE= -0.170852 logGD-logG0= -0.009742 tlogG= -0.047150 logG= -0.056892 Density= 0.213731 ETOT(band)= -0.233717 trlgG= -0.292491 logG= -0.056892 TDE= -0.341364 Density= 0.213920 ETOT(band)= -0.234118 trlgG= -0.293963 logG= -0.057756 TDE= -0.342065 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010398 tlogG= -0.048073 logG= -0.058470 Density= 0.215018 ETOT(band)= -0.234061 trlgG= -0.294622 logG= -0.058470 TDE= -0.342553 logGD-logG0= -0.009361 tlogG= -0.047436 logG= -0.056797 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214263 ETOT(band)= -0.233504 trlgG= -0.292831 logG= -0.056797 TDE= -0.342061 logGD-logG0= -0.010245 tlogG= -0.047972 logG= -0.058217 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215021 ETOT(band)= -0.233915 trlgG= -0.294206 logG= -0.058217 TDE= -0.342392 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010443 tlogG= -0.047738 logG= -0.058180 Density= 0.214705 ETOT(band)= -0.234006 trlgG= -0.294110 logG= -0.058180 TDE= -0.342177 logGD-logG0= -0.010478 tlogG= -0.048007 logG= -0.058485 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215054 ETOT(band)= -0.234052 trlgG= -0.294649 logG= -0.058485 TDE= -0.342584 logGD-logG0= -0.010307 tlogG= -0.047778 logG= -0.058084 Density= 0.214605 ETOT(band)= -0.234000 trlgG= -0.293941 logG= -0.058084 TDE= -0.342053 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001614 tlogG= -0.006990 logG= -0.008604 Density= 0.036187 ETOT(band)= -0.038117 trlgG= -0.047231 logG= -0.008604 TDE= -0.056534 logGD-logG0= -0.009990 tlogG= -0.048019 logG= -0.058009 logGD-logG0= -0.010104 tlogG= -0.047653 logG= -0.057757 Density= 0.213901 ETOT(band)= -0.234105 trlgG= -0.293716 logG= -0.057757 TDE= -0.341808 Density= 0.214481 ETOT(band)= -0.234028 trlgG= -0.294027 logG= -0.058009 TDE= -0.342153 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001680 tlogG= -0.007303 logG= -0.008983 Density= 0.035836 ETOT(band)= -0.038565 trlgG= -0.047890 logG= -0.008983 TDE= -0.056641 logGD-logG0= -0.010469 tlogG= -0.047927 logG= -0.058396 logGD-logG0= -0.010329 tlogG= -0.047304 logG= -0.057633 Density= 0.214212 ETOT(band)= -0.233899 trlgG= -0.293192 logG= -0.057633 TDE= -0.341562 Density= 0.215840 ETOT(band)= -0.233626 trlgG= -0.294561 logG= -0.058396 TDE= -0.342974 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010590 tlogG= -0.048139 logG= -0.058729 Density= 0.215369 ETOT(band)= -0.234078 trlgG= -0.295087 logG= -0.058729 TDE= -0.342934 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010543 tlogG= -0.047514 logG= -0.058057 logGD-logG0= -0.010500 tlogG= -0.047416 logG= -0.057916 logGD-logG0= -0.002387 tlogG= -0.010424 logG= -0.012812 Density= 0.054364 ETOT(band)= -0.057058 trlgG= -0.070669 logG= -0.012812 TDE= -0.084759 Density= 0.215645 ETOT(band)= -0.233510 trlgG= -0.293998 logG= -0.058057 TDE= -0.342653 Density= 0.215414 ETOT(band)= -0.233549 trlgG= -0.293757 logG= -0.057916 TDE= -0.342439 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010523 tlogG= -0.047875 logG= -0.058398 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215712 ETOT(band)= -0.233698 trlgG= -0.294562 logG= -0.058398 TDE= -0.342909 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004873 tlogG= -0.021560 logG= -0.026433 logGD-logG0= -0.010016 tlogG= -0.047145 logG= -0.057161 Density= 0.215099 ETOT(band)= -0.233282 trlgG= -0.292529 logG= -0.057161 TDE= -0.341810 logGD-logG0= -0.009716 tlogG= -0.047214 logG= -0.056930 Density= 0.214428 ETOT(band)= -0.233466 trlgG= -0.292606 logG= -0.056930 TDE= -0.341786 logGD-logG0= -0.010542 tlogG= -0.046873 logG= -0.057416 Density= 0.108487 ETOT(band)= -0.114849 trlgG= -0.142772 logG= -0.026433 TDE= -0.170024 Density= 0.215377 ETOT(band)= -0.233272 trlgG= -0.292957 logG= -0.057416 TDE= -0.342120 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004792 tlogG= -0.020986 logG= -0.025777 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108682 ETOT(band)= -0.114262 trlgG= -0.141617 logG= -0.025777 TDE= -0.169621 logGD-logG0= -0.010104 tlogG= -0.046405 logG= -0.056509 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215165 ETOT(band)= -0.232880 trlgG= -0.291513 logG= -0.056509 TDE= -0.341478 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021813 logG= -0.026851 Density= 0.107764 ETOT(band)= -0.115503 trlgG= -0.143510 logG= -0.026851 TDE= -0.169986 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004979 tlogG= -0.021690 logG= -0.026669 Density= 0.107906 ETOT(band)= -0.115311 trlgG= -0.143201 logG= -0.026669 TDE= -0.169930 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009952 tlogG= -0.043382 logG= -0.053333 Density= 0.216225 ETOT(band)= -0.230411 trlgG= -0.286380 logG= -0.053333 TDE= -0.340046 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004395 tlogG= -0.023735 logG= -0.028130 Density= 0.213043 ETOT(band)= -0.233519 trlgG= -0.291648 logG= -0.028130 TDE= -0.170731 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001570 tlogG= -0.006873 logG= -0.008443 Density= 0.040837 ETOT(band)= -0.042663 trlgG= -0.052781 logG= -0.008443 TDE= -0.056448 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005306 logG= -0.006503 Density= 0.081537 ETOT(band)= -0.085667 trlgG= -0.106175 logG= -0.006503 TDE= -0.042450 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001682 tlogG= -0.007115 logG= -0.008797 Density= 0.072212 ETOT(band)= -0.076461 trlgG= -0.094809 logG= -0.008797 TDE= -0.056608 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.022469 logG= -0.027349 Density= 0.214975 ETOT(band)= -0.231603 trlgG= -0.287938 logG= -0.027349 TDE= -0.170132 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.021875 logG= -0.026920 Density= 0.216574 ETOT(band)= -0.230230 trlgG= -0.286386 logG= -0.026920 TDE= -0.170181 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004956 tlogG= -0.021347 logG= -0.026303 Density= 0.216966 ETOT(band)= -0.229124 trlgG= -0.284184 logG= -0.026303 TDE= -0.169849 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004915 tlogG= -0.021202 logG= -0.026117 Density= 0.216294 ETOT(band)= -0.229982 trlgG= -0.285438 logG= -0.026117 TDE= -0.169756 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001265 tlogG= -0.005854 logG= -0.007118 Density= 0.080629 ETOT(band)= -0.087590 trlgG= -0.110125 logG= -0.007118 TDE= -0.042800 logGD-logG0= -0.004538 tlogG= -0.023968 logG= -0.028507 Density= 0.212764 ETOT(band)= -0.234204 trlgG= -0.293372 logG= -0.028507 TDE= -0.170783 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023408 logG= -0.028583 Density= 0.216143 ETOT(band)= -0.232600 trlgG= -0.292100 logG= -0.028583 TDE= -0.171140 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005982 logG= -0.007250 logGD-logG0= -0.005146 tlogG= -0.022962 logG= -0.028108 Density= 0.081039 ETOT(band)= -0.087529 trlgG= -0.110377 logG= -0.007250 TDE= -0.042884 Density= 0.216172 ETOT(band)= -0.232026 trlgG= -0.290484 logG= -0.028108 TDE= -0.170854 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.024001 logG= -0.028704 Density= 0.214072 ETOT(band)= -0.234022 trlgG= -0.294017 logG= -0.028704 TDE= -0.171182 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004616 tlogG= -0.023365 logG= -0.027981 Density= 0.214136 ETOT(band)= -0.233309 trlgG= -0.292224 logG= -0.027981 TDE= -0.170860 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023352 logG= -0.028749 Density= 0.215055 ETOT(band)= -0.233294 trlgG= -0.292604 logG= -0.028749 TDE= -0.170914 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024151 logG= -0.029133 Density= 0.214689 ETOT(band)= -0.234106 trlgG= -0.294416 logG= -0.029133 TDE= -0.171188 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023192 logG= -0.028323 Density= 0.214819 ETOT(band)= -0.232893 trlgG= -0.291110 logG= -0.028323 TDE= -0.170570 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008880 tlogG= -0.048087 logG= -0.056967 Density= 0.425447 ETOT(band)= -0.468207 trlgG= -0.586229 logG= -0.056967 TDE= -0.341682 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005937 logG= -0.007207 Density= 0.080811 ETOT(band)= -0.087625 trlgG= -0.110323 logG= -0.007207 TDE= -0.042854 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009372 tlogG= -0.046705 logG= -0.056077 Density= 0.427801 ETOT(band)= -0.466002 trlgG= -0.581620 logG= -0.056077 TDE= -0.341122 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023890 logG= -0.029223 Density= 0.215590 ETOT(band)= -0.233701 trlgG= -0.294444 logG= -0.029223 TDE= -0.171384 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009859 tlogG= -0.046390 logG= -0.056249 Density= 0.429434 ETOT(band)= -0.465435 trlgG= -0.581302 logG= -0.056249 TDE= -0.341235 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001216 tlogG= -0.005467 logG= -0.006683 Density= 0.081180 ETOT(band)= -0.086334 trlgG= -0.107333 logG= -0.006683 TDE= -0.042561 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009895 tlogG= -0.044615 logG= -0.054510 Density= 0.324210 ETOT(band)= -0.346589 trlgG= -0.431802 logG= -0.054510 TDE= -0.340686 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023755 logG= -0.028923 Density= 0.216221 ETOT(band)= -0.232980 trlgG= -0.293307 logG= -0.028923 TDE= -0.171379 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023949 logG= -0.029098 Density= 0.216331 ETOT(band)= -0.233179 trlgG= -0.294012 logG= -0.029098 TDE= -0.171520 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005381 tlogG= -0.023676 logG= -0.029057 Density= 0.215354 ETOT(band)= -0.233552 trlgG= -0.293745 logG= -0.029057 TDE= -0.171207 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009569 tlogG= -0.047645 logG= -0.057214 Density= 0.426580 ETOT(band)= -0.468238 trlgG= -0.586747 logG= -0.057214 TDE= -0.341699 logGD-logG0= -0.004874 tlogG= -0.021297 logG= -0.026171 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162607 ETOT(band)= -0.172945 trlgG= -0.215843 logG= -0.026171 TDE= -0.169836 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009523 tlogG= -0.047764 logG= -0.057287 Density= 0.427083 ETOT(band)= -0.467789 trlgG= -0.585602 logG= -0.057287 TDE= -0.341401 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004262 tlogG= -0.024126 logG= -0.028388 Density= 0.212130 ETOT(band)= -0.234305 trlgG= -0.293568 logG= -0.028388 TDE= -0.170928 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005746 logG= -0.006996 Density= 0.080617 ETOT(band)= -0.087374 trlgG= -0.109570 logG= -0.006996 TDE= -0.042735 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004564 tlogG= -0.023886 logG= -0.028450 logGD-logG0= -0.001178 tlogG= -0.005170 logG= -0.006349 Density= 0.062526 ETOT(band)= -0.067526 trlgG= -0.084176 logG= -0.006349 TDE= -0.042348 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213237 ETOT(band)= -0.233796 trlgG= -0.292380 logG= -0.028450 TDE= -0.170735 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022902 logG= -0.027831 Density= 0.214749 ETOT(band)= -0.232338 trlgG= -0.289581 logG= -0.027831 TDE= -0.170384 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005618 logG= -0.006847 Density= 0.080819 ETOT(band)= -0.086946 trlgG= -0.108568 logG= -0.006847 TDE= -0.042659 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007587 logG= -0.009147 Density= 0.071482 ETOT(band)= -0.077327 trlgG= -0.096119 logG= -0.009147 TDE= -0.056721 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.023792 logG= -0.029017 logGD-logG0= -0.005192 tlogG= -0.023994 logG= -0.029186 Density= 0.215631 ETOT(band)= -0.233798 trlgG= -0.294716 logG= -0.029186 TDE= -0.171529 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215280 ETOT(band)= -0.233703 trlgG= -0.294062 logG= -0.029017 TDE= -0.171376 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023479 logG= -0.028694 logGD-logG0= -0.009746 tlogG= -0.044616 logG= -0.054361 Density= 0.215163 ETOT(band)= -0.233267 trlgG= -0.292798 logG= -0.028694 TDE= -0.171120 Density= 0.431507 ETOT(band)= -0.461966 trlgG= -0.574530 logG= -0.054361 TDE= -0.340321 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023992 logG= -0.029148 Density= 0.216297 ETOT(band)= -0.233283 trlgG= -0.294244 logG= -0.029148 TDE= -0.171547 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.007964 logG= -0.009384 Density= 0.070853 ETOT(band)= -0.077927 trlgG= -0.097414 logG= -0.009384 TDE= -0.056946 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.023841 logG= -0.028879 Density= 0.215441 ETOT(band)= -0.233699 trlgG= -0.294165 logG= -0.028879 TDE= -0.171064 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.024000 logG= -0.028736 Density= 0.321491 ETOT(band)= -0.351014 trlgG= -0.441171 logG= -0.028736 TDE= -0.171177 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023582 logG= -0.028033 logGD-logG0= -0.005083 tlogG= -0.022435 logG= -0.027518 Density= 0.216318 ETOT(band)= -0.231228 trlgG= -0.288500 logG= -0.027518 TDE= -0.170520 logGD-logG0= -0.004648 tlogG= -0.023362 logG= -0.028010 logGD-logG0= -0.005041 tlogG= -0.023951 logG= -0.028992 Density= 0.214290 ETOT(band)= -0.234032 trlgG= -0.293799 logG= -0.028992 TDE= -0.171015 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321563 ETOT(band)= -0.349965 trlgG= -0.438595 logG= -0.028010 TDE= -0.170852 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212576 ETOT(band)= -0.233926 trlgG= -0.292622 logG= -0.028033 TDE= -0.170646 logGD-logG0= -0.005285 tlogG= -0.024114 logG= -0.029399 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010340 tlogG= -0.047772 logG= -0.058112 Density= 0.215663 ETOT(band)= -0.233954 trlgG= -0.295130 logG= -0.029399 TDE= -0.171560 logGD-logG0= -0.005007 tlogG= -0.024157 logG= -0.029164 Density= 0.322362 ETOT(band)= -0.351130 trlgG= -0.441850 logG= -0.029164 TDE= -0.171183 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324264 ETOT(band)= -0.349829 trlgG= -0.440864 logG= -0.058112 TDE= -0.342933 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023880 logG= -0.028757 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213740 ETOT(band)= -0.233945 trlgG= -0.292890 logG= -0.028757 TDE= -0.170744 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010385 tlogG= -0.047222 logG= -0.057607 logGD-logG0= -0.010619 tlogG= -0.048029 logG= -0.058648 Density= 0.324049 ETOT(band)= -0.349461 trlgG= -0.439515 logG= -0.057607 TDE= -0.342542 Density= 0.323165 ETOT(band)= -0.350896 trlgG= -0.442199 logG= -0.058648 TDE= -0.342924 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.045623 logG= -0.055725 Density= 0.323966 ETOT(band)= -0.347859 trlgG= -0.434810 logG= -0.055725 TDE= -0.341362 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.024080 logG= -0.029291 Density= 0.322980 ETOT(band)= -0.351104 trlgG= -0.442501 logG= -0.029291 TDE= -0.171374 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004747 tlogG= -0.023239 logG= -0.027985 Density= 0.213454 ETOT(band)= -0.233549 trlgG= -0.292109 logG= -0.027985 TDE= -0.170696 logGD-logG0= -0.009610 tlogG= -0.046595 logG= -0.056206 Density= 0.322631 ETOT(band)= -0.348923 trlgG= -0.436241 logG= -0.056206 TDE= -0.341515 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023830 logG= -0.028628 Density= 0.213526 ETOT(band)= -0.234083 trlgG= -0.293626 logG= -0.028628 TDE= -0.171000 logGD-logG0= -0.010381 tlogG= -0.046402 logG= -0.056783 logGD-logG0= -0.004913 tlogG= -0.022287 logG= -0.027200 Density= 0.323916 ETOT(band)= -0.348803 trlgG= -0.437429 logG= -0.056783 TDE= -0.341985 Density= 0.214215 ETOT(band)= -0.232378 trlgG= -0.289332 logG= -0.027200 TDE= -0.170119 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004992 tlogG= -0.023241 logG= -0.028233 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321628 ETOT(band)= -0.350473 trlgG= -0.439446 logG= -0.028233 TDE= -0.170807 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023949 logG= -0.029267 Density= 0.323577 ETOT(band)= -0.350571 trlgG= -0.441947 logG= -0.029267 TDE= -0.171433 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009567 tlogG= -0.047828 logG= -0.057395 Density= 0.427940 ETOT(band)= -0.468028 trlgG= -0.587619 logG= -0.057395 TDE= -0.342169 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.047659 logG= -0.057838 Density= 0.428192 ETOT(band)= -0.468013 trlgG= -0.586952 logG= -0.057838 TDE= -0.341810 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009430 tlogG= -0.046596 logG= -0.056027 logGD-logG0= -0.010203 tlogG= -0.048212 logG= -0.058415 Density= 0.428003 ETOT(band)= -0.466724 trlgG= -0.584226 logG= -0.056027 TDE= -0.341539 Density= 0.429931 ETOT(band)= -0.468151 trlgG= -0.589160 logG= -0.058415 TDE= -0.342427 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010412 tlogG= -0.048062 logG= -0.058475 Density= 0.430037 ETOT(band)= -0.467981 trlgG= -0.588832 logG= -0.058475 TDE= -0.342553 logGD-logG0= -0.010239 tlogG= -0.047946 logG= -0.058185 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429102 ETOT(band)= -0.468106 trlgG= -0.588035 logG= -0.058185 TDE= -0.342053 logGD-logG0= -0.010070 tlogG= -0.048138 logG= -0.058208 Density= 0.429198 ETOT(band)= -0.468145 trlgG= -0.588393 logG= -0.058208 TDE= -0.342216 logGD-logG0= -0.010580 tlogG= -0.047722 logG= -0.058302 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430643 ETOT(band)= -0.467406 trlgG= -0.588123 logG= -0.058302 TDE= -0.342570 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009743 tlogG= -0.047843 logG= -0.057586 Density= 0.429035 ETOT(band)= -0.467808 trlgG= -0.587598 logG= -0.057586 TDE= -0.342157 logGD-logG0= -0.010691 tlogG= -0.047677 logG= -0.058369 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430982 ETOT(band)= -0.467351 trlgG= -0.588485 logG= -0.058369 TDE= -0.342677 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010616 tlogG= -0.048002 logG= -0.058618 Density= 0.431221 ETOT(band)= -0.467634 trlgG= -0.589477 logG= -0.058618 TDE= -0.342942 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009923 tlogG= -0.047548 logG= -0.057472 Density= 0.428510 ETOT(band)= -0.467358 trlgG= -0.585994 logG= -0.057472 TDE= -0.341855 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010166 tlogG= -0.047561 logG= -0.057727 Density= 0.429906 ETOT(band)= -0.467001 trlgG= -0.585926 logG= -0.057727 TDE= -0.341967 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.022323 logG= -0.027123 Density= 0.322799 ETOT(band)= -0.347891 trlgG= -0.433852 logG= -0.027123 TDE= -0.170201 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010640 tlogG= -0.047261 logG= -0.057900 Density= 0.430375 ETOT(band)= -0.466982 trlgG= -0.586651 logG= -0.057900 TDE= -0.342187 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046922 logG= -0.057163 Density= 0.429779 ETOT(band)= -0.466353 trlgG= -0.583997 logG= -0.057163 TDE= -0.341522 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004760 tlogG= -0.022322 logG= -0.027082 Density= 0.214980 ETOT(band)= -0.231892 trlgG= -0.288981 logG= -0.027082 TDE= -0.170206 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.735650091693 eV TrLogG= -407.082337777843 eV Ratio to renormalize= 1.000267187724 rho-rho_expected=-0.005876559778 nargs= 1 argi=dmft2.def 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964622326056883 0.940359891715201 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004509 tlogG= -0.024063 logG= -0.028572 Density= 0.106378 ETOT(band)= -0.117169 trlgG= -0.146807 logG= -0.028572 TDE= -0.170876 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023703 logG= -0.028953 Density= 0.107221 ETOT(band)= -0.117018 trlgG= -0.146859 logG= -0.028953 TDE= -0.170965 logGD-logG0= -0.004868 tlogG= -0.023910 logG= -0.028778 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.022755 logG= -0.027747 Density= 0.108237 ETOT(band)= -0.115889 trlgG= -0.145014 logG= -0.027747 TDE= -0.170827 Density= 0.106746 ETOT(band)= -0.117130 trlgG= -0.146920 logG= -0.028778 TDE= -0.170966 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.022894 logG= -0.027968 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107605 ETOT(band)= -0.116313 trlgG= -0.145353 logG= -0.027968 TDE= -0.170633 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.023215 logG= -0.028481 Density= 0.107672 ETOT(band)= -0.116561 trlgG= -0.146163 logG= -0.028481 TDE= -0.170964 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.022871 logG= -0.027574 Density= 0.107286 ETOT(band)= -0.116253 trlgG= -0.145066 logG= -0.027574 TDE= -0.170582 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010851 logG= -0.013295 Density= 0.054058 ETOT(band)= -0.057598 trlgG= -0.071549 logG= -0.013295 TDE= -0.085005 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004734 trlgG= -0.005853 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001474 tlogG= -0.007817 logG= -0.009291 Density= 0.035489 ETOT(band)= -0.038930 trlgG= -0.048611 logG= -0.009291 TDE= -0.056881 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001393 tlogG= -0.008050 logG= -0.009443 Density= 0.035309 ETOT(band)= -0.039082 trlgG= -0.048975 logG= -0.009443 TDE= -0.057005 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012042 logG= -0.014626 Density= 0.053757 ETOT(band)= -0.058542 trlgG= -0.073691 logG= -0.014626 TDE= -0.085667 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.012092 logG= -0.014493 Density= 0.053579 ETOT(band)= -0.058553 trlgG= -0.073633 logG= -0.014493 TDE= -0.085653 logGD-logG0= -0.004285 tlogG= -0.024069 logG= -0.028354 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106107 ETOT(band)= -0.117181 trlgG= -0.146798 logG= -0.028354 TDE= -0.170951 logGD-logG0= -0.004312 tlogG= -0.023992 logG= -0.028304 Density= 0.106159 ETOT(band)= -0.117137 trlgG= -0.146685 logG= -0.028304 TDE= -0.170914 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004586 tlogG= -0.023223 logG= -0.027809 Density= 0.106726 ETOT(band)= -0.116637 trlgG= -0.145478 logG= -0.027809 TDE= -0.170483 logGD-logG0= -0.002306 tlogG= -0.011893 logG= -0.014200 logGD-logG0= -0.002314 tlogG= -0.011457 logG= -0.013771 Density= 0.053731 ETOT(band)= -0.058078 trlgG= -0.072507 logG= -0.013771 TDE= -0.085324 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053556 ETOT(band)= -0.058409 trlgG= -0.073271 logG= -0.014200 TDE= -0.085574 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004673 tlogG= -0.023007 logG= -0.027680 Density= 0.106862 ETOT(band)= -0.116506 trlgG= -0.145217 logG= -0.027680 TDE= -0.170418 logGD-logG0= -0.004699 tlogG= -0.023517 logG= -0.028216 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106763 ETOT(band)= -0.116828 trlgG= -0.145962 logG= -0.028216 TDE= -0.170578 logGD-logG0= -0.004997 tlogG= -0.022479 logG= -0.027475 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108192 ETOT(band)= -0.115752 trlgG= -0.144577 logG= -0.027475 TDE= -0.170641 logGD-logG0= -0.002540 tlogG= -0.011995 logG= -0.014534 logGD-logG0= -0.002608 tlogG= -0.011998 logG= -0.014607 Density= 0.053977 ETOT(band)= -0.058425 trlgG= -0.073676 logG= -0.014607 TDE= -0.085779 Density= 0.054132 ETOT(band)= -0.058304 trlgG= -0.073555 logG= -0.014534 TDE= -0.085808 logGD-logG0= -0.005065 tlogG= -0.023004 logG= -0.028069 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108124 ETOT(band)= -0.116126 trlgG= -0.145525 logG= -0.028069 TDE= -0.170961 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024090 logG= -0.029333 Density= 0.107632 ETOT(band)= -0.117085 trlgG= -0.147529 logG= -0.029333 TDE= -0.171457 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023971 logG= -0.029070 Density= 0.108217 ETOT(band)= -0.116633 trlgG= -0.147114 logG= -0.029070 TDE= -0.171595 logGD-logG0= -0.005112 tlogG= -0.023785 logG= -0.028897 Density= 0.108166 ETOT(band)= -0.116558 trlgG= -0.146836 logG= -0.028897 TDE= -0.171465 logGD-logG0= -0.005107 tlogG= -0.023452 logG= -0.028559 Density= 0.108119 ETOT(band)= -0.116396 trlgG= -0.146300 logG= -0.028559 TDE= -0.171244 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.022869 logG= -0.027695 Density= 0.107737 ETOT(band)= -0.116108 trlgG= -0.144940 logG= -0.027695 TDE= -0.170558 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.024112 logG= -0.029069 Density= 0.107369 ETOT(band)= -0.117050 trlgG= -0.147149 logG= -0.029069 TDE= -0.171212 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.022191 logG= -0.027105 Density= 0.108348 ETOT(band)= -0.115446 trlgG= -0.143970 logG= -0.027105 TDE= -0.170480 logGD-logG0= -0.004975 tlogG= -0.022427 logG= -0.027402 Density= 0.107624 ETOT(band)= -0.115979 trlgG= -0.144457 logG= -0.027402 TDE= -0.170312 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002383 tlogG= -0.010437 logG= -0.012819 Density= 0.054372 ETOT(band)= -0.057081 trlgG= -0.070703 logG= -0.012819 TDE= -0.084789 logGD-logG0= -0.005250 tlogG= -0.024109 logG= -0.029358 logGD-logG0= -0.005086 tlogG= -0.023893 logG= -0.028979 Density= 0.107876 ETOT(band)= -0.116993 trlgG= -0.147593 logG= -0.029358 TDE= -0.171617 Density= 0.108237 ETOT(band)= -0.116569 trlgG= -0.146966 logG= -0.028979 TDE= -0.171548 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005282 tlogG= -0.024155 logG= -0.029437 Density= 0.107800 ETOT(band)= -0.117081 trlgG= -0.147718 logG= -0.029437 TDE= -0.171625 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023627 logG= -0.028715 Density= 0.108192 ETOT(band)= -0.116442 trlgG= -0.146545 logG= -0.028715 TDE= -0.171368 logGD-logG0= -0.004963 tlogG= -0.023660 logG= -0.028623 logGD-logG0= -0.005275 tlogG= -0.023921 logG= -0.029196 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106968 ETOT(band)= -0.116947 trlgG= -0.146309 logG= -0.028623 TDE= -0.170619 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023986 logG= -0.029179 Density= 0.107741 ETOT(band)= -0.116951 trlgG= -0.147313 logG= -0.029196 TDE= -0.171432 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.023237 logG= -0.028295 Density= 0.107433 ETOT(band)= -0.117071 trlgG= -0.147255 logG= -0.029179 TDE= -0.171239 Density= 0.108183 ETOT(band)= -0.116219 trlgG= -0.145881 logG= -0.028295 TDE= -0.171120 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004644 tlogG= -0.023686 logG= -0.028330 Density= 0.106587 ETOT(band)= -0.116975 trlgG= -0.146393 logG= -0.028330 TDE= -0.170808 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001611 tlogG= -0.006999 logG= -0.008609 Density= 0.036192 ETOT(band)= -0.038132 trlgG= -0.047254 logG= -0.008609 TDE= -0.056554 logGD-logG0= -0.004844 tlogG= -0.024088 logG= -0.028932 Density= 0.107046 ETOT(band)= -0.117111 trlgG= -0.147175 logG= -0.028932 TDE= -0.171214 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004671 tlogG= -0.023706 logG= -0.028377 Density= 0.106965 ETOT(band)= -0.116858 trlgG= -0.146498 logG= -0.028377 TDE= -0.171053 logGD-logG0= -0.001678 tlogG= -0.007310 logG= -0.008988 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035840 ETOT(band)= -0.038581 trlgG= -0.047914 logG= -0.008988 TDE= -0.056661 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005236 tlogG= -0.023892 logG= -0.029127 Density= 0.107904 ETOT(band)= -0.116819 trlgG= -0.147208 logG= -0.029127 TDE= -0.171477 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023707 logG= -0.028501 Density= 0.107368 ETOT(band)= -0.116739 trlgG= -0.146407 logG= -0.028501 TDE= -0.171038 logGD-logG0= -0.009710 tlogG= -0.048283 logG= -0.057993 Density= 0.214381 ETOT(band)= -0.234181 trlgG= -0.294425 logG= -0.057993 TDE= -0.342519 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009396 tlogG= -0.045799 logG= -0.055196 Density= 0.214997 ETOT(band)= -0.232339 trlgG= -0.290033 logG= -0.055196 TDE= -0.341229 logGD-logG0= -0.005273 tlogG= -0.023601 logG= -0.028874 logGD-logG0= -0.009676 tlogG= -0.045629 logG= -0.055305 Density= 0.214343 ETOT(band)= -0.232689 trlgG= -0.290211 logG= -0.055305 TDE= -0.340973 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107789 ETOT(band)= -0.116723 trlgG= -0.146792 logG= -0.028874 TDE= -0.171257 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009855 tlogG= -0.047939 logG= -0.057795 logGD-logG0= -0.009037 tlogG= -0.047666 logG= -0.056703 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.024080 logG= -0.029304 Density= 0.213949 ETOT(band)= -0.234219 trlgG= -0.294113 logG= -0.057795 TDE= -0.342191 Density= 0.212905 ETOT(band)= -0.234073 trlgG= -0.292917 logG= -0.056703 TDE= -0.341570 Density= 0.107936 ETOT(band)= -0.116925 trlgG= -0.147504 logG= -0.029304 TDE= -0.171612 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009466 tlogG= -0.047966 logG= -0.057432 Density= 0.213252 ETOT(band)= -0.234282 trlgG= -0.293564 logG= -0.057432 TDE= -0.341660 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010387 tlogG= -0.048121 logG= -0.058508 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215050 ETOT(band)= -0.234158 trlgG= -0.294774 logG= -0.058508 TDE= -0.342683 logGD-logG0= -0.009575 tlogG= -0.047198 logG= -0.056774 Density= 0.213746 ETOT(band)= -0.233774 trlgG= -0.292849 logG= -0.056774 TDE= -0.341847 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009740 tlogG= -0.047190 logG= -0.056930 Density= 0.213758 ETOT(band)= -0.233818 trlgG= -0.292640 logG= -0.056930 TDE= -0.341489 logGD-logG0= -0.010432 tlogG= -0.047786 logG= -0.058218 logGD-logG0= -0.010468 tlogG= -0.048054 logG= -0.058523 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215087 ETOT(band)= -0.234149 trlgG= -0.294801 logG= -0.058523 TDE= -0.342714 Density= 0.214737 ETOT(band)= -0.234105 trlgG= -0.294263 logG= -0.058218 TDE= -0.342307 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009348 tlogG= -0.047486 logG= -0.056835 logGD-logG0= -0.009979 tlogG= -0.048068 logG= -0.058047 Density= 0.214291 ETOT(band)= -0.233605 trlgG= -0.292979 logG= -0.056835 TDE= -0.342186 Density= 0.214511 ETOT(band)= -0.234127 trlgG= -0.294174 logG= -0.058047 TDE= -0.342277 logGD-logG0= -0.010236 tlogG= -0.048019 logG= -0.058255 Density= 0.215053 ETOT(band)= -0.234013 trlgG= -0.294357 logG= -0.058255 TDE= -0.342522 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047826 logG= -0.058122 logGD-logG0= -0.004863 tlogG= -0.021586 logG= -0.026449 Density= 0.108503 ETOT(band)= -0.114896 trlgG= -0.142841 logG= -0.026449 TDE= -0.170085 logGD-logG0= -0.010097 tlogG= -0.047698 logG= -0.057795 Density= 0.213929 ETOT(band)= -0.234205 trlgG= -0.293865 logG= -0.057795 TDE= -0.341933 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214636 ETOT(band)= -0.234098 trlgG= -0.294093 logG= -0.058122 TDE= -0.342184 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009781 tlogG= -0.045689 logG= -0.055469 Density= 0.215129 ETOT(band)= -0.232415 trlgG= -0.290025 logG= -0.055469 TDE= -0.341012 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004783 tlogG= -0.021010 logG= -0.025793 Density= 0.108698 ETOT(band)= -0.114308 trlgG= -0.141684 logG= -0.025793 TDE= -0.169681 logGD-logG0= -0.010447 tlogG= -0.047985 logG= -0.058432 logGD-logG0= -0.010094 tlogG= -0.046452 logG= -0.056546 Density= 0.215195 ETOT(band)= -0.232978 trlgG= -0.291661 logG= -0.056546 TDE= -0.341605 Density= 0.215875 ETOT(band)= -0.233722 trlgG= -0.294709 logG= -0.058432 TDE= -0.343103 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010325 tlogG= -0.047346 logG= -0.057671 Density= 0.214242 ETOT(band)= -0.233998 trlgG= -0.293343 logG= -0.057671 TDE= -0.341689 logGD-logG0= -0.010491 tlogG= -0.047461 logG= -0.057952 logGD-logG0= -0.010581 tlogG= -0.048185 logG= -0.058767 logGD-logG0= -0.010521 tlogG= -0.047572 logG= -0.058093 Density= 0.215447 ETOT(band)= -0.233646 trlgG= -0.293906 logG= -0.057952 TDE= -0.342567 Density= 0.215679 ETOT(band)= -0.233605 trlgG= -0.294146 logG= -0.058093 TDE= -0.342782 Density= 0.215403 ETOT(band)= -0.234175 trlgG= -0.295238 logG= -0.058767 TDE= -0.343064 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010533 tlogG= -0.046919 logG= -0.057452 Density= 0.215409 ETOT(band)= -0.233369 trlgG= -0.293105 logG= -0.057452 TDE= -0.342248 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047933 logG= -0.058435 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215747 ETOT(band)= -0.233794 trlgG= -0.294711 logG= -0.058435 TDE= -0.343038 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.047264 logG= -0.056967 Density= 0.214457 ETOT(band)= -0.233566 trlgG= -0.292753 logG= -0.056967 TDE= -0.341909 logGD-logG0= -0.010006 tlogG= -0.047192 logG= -0.057197 Density= 0.215131 ETOT(band)= -0.233379 trlgG= -0.292678 logG= -0.057197 TDE= -0.341939 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.021837 logG= -0.026868 Density= 0.107778 ETOT(band)= -0.115551 trlgG= -0.143582 logG= -0.026868 TDE= -0.170047 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004949 tlogG= -0.021896 logG= -0.026846 Density= 0.108312 ETOT(band)= -0.115262 trlgG= -0.143521 logG= -0.026846 TDE= -0.170273 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.023976 logG= -0.029012 Density= 0.214320 ETOT(band)= -0.234132 trlgG= -0.293950 logG= -0.029012 TDE= -0.171077 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.022989 logG= -0.028125 Density= 0.216204 ETOT(band)= -0.232121 trlgG= -0.290628 logG= -0.028125 TDE= -0.170917 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023856 logG= -0.028647 Density= 0.213553 ETOT(band)= -0.234185 trlgG= -0.293777 logG= -0.028647 TDE= -0.171063 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009938 tlogG= -0.043428 logG= -0.053366 Density= 0.216256 ETOT(band)= -0.230507 trlgG= -0.286521 logG= -0.053366 TDE= -0.340168 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004537 tlogG= -0.023990 logG= -0.028526 Density= 0.212788 ETOT(band)= -0.234308 trlgG= -0.293520 logG= -0.028526 TDE= -0.170844 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005393 tlogG= -0.023374 logG= -0.028767 Density= 0.215087 ETOT(band)= -0.233391 trlgG= -0.292754 logG= -0.028767 TDE= -0.170978 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023212 logG= -0.028341 Density= 0.214848 ETOT(band)= -0.232991 trlgG= -0.291259 logG= -0.028341 TDE= -0.170634 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.021714 logG= -0.026686 Density= 0.107921 ETOT(band)= -0.115359 trlgG= -0.143272 logG= -0.026686 TDE= -0.169991 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001214 tlogG= -0.005473 logG= -0.006687 Density= 0.081192 ETOT(band)= -0.086369 trlgG= -0.107385 logG= -0.006687 TDE= -0.042576 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004753 tlogG= -0.022346 logG= -0.027099 Density= 0.215008 ETOT(band)= -0.231991 trlgG= -0.289127 logG= -0.027099 TDE= -0.170268 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001419 tlogG= -0.007971 logG= -0.009391 Density= 0.070860 ETOT(band)= -0.077962 trlgG= -0.097464 logG= -0.009391 TDE= -0.056966 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004259 tlogG= -0.024149 logG= -0.028408 Density= 0.212151 ETOT(band)= -0.234411 trlgG= -0.293720 logG= -0.028408 TDE= -0.170990 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004448 tlogG= -0.023604 logG= -0.028052 Density= 0.212598 ETOT(band)= -0.234030 trlgG= -0.292772 logG= -0.028052 TDE= -0.170707 logGD-logG0= -0.004392 tlogG= -0.023757 logG= -0.028150 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213066 ETOT(band)= -0.233623 trlgG= -0.291797 logG= -0.028150 TDE= -0.170792 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004562 tlogG= -0.023907 logG= -0.028470 Density= 0.213261 ETOT(band)= -0.233898 trlgG= -0.292527 logG= -0.028470 TDE= -0.170796 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001567 tlogG= -0.006881 logG= -0.008448 Density= 0.040844 ETOT(band)= -0.042681 trlgG= -0.052806 logG= -0.008448 TDE= -0.056468 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001176 tlogG= -0.005176 logG= -0.006352 Density= 0.062534 ETOT(band)= -0.067556 trlgG= -0.084219 logG= -0.006352 TDE= -0.042363 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001267 tlogG= -0.005944 logG= -0.007211 Density= 0.080824 ETOT(band)= -0.087661 trlgG= -0.110378 logG= -0.007211 TDE= -0.042870 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007594 logG= -0.009153 Density= 0.071490 ETOT(band)= -0.077360 trlgG= -0.096167 logG= -0.009153 TDE= -0.056742 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001247 tlogG= -0.005753 logG= -0.007000 Density= 0.080628 ETOT(band)= -0.087411 trlgG= -0.109625 logG= -0.007000 TDE= -0.042750 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005625 logG= -0.006851 Density= 0.080830 ETOT(band)= -0.086982 trlgG= -0.108622 logG= -0.006851 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005989 logG= -0.007254 Density= 0.081052 ETOT(band)= -0.087565 trlgG= -0.110432 logG= -0.007254 TDE= -0.042900 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005861 logG= -0.007123 Density= 0.080640 ETOT(band)= -0.087626 trlgG= -0.110180 logG= -0.007123 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.024023 logG= -0.029204 Density= 0.215665 ETOT(band)= -0.233895 trlgG= -0.294865 logG= -0.029204 TDE= -0.171593 logGD-logG0= -0.001194 tlogG= -0.005312 logG= -0.006507 Density= 0.081550 ETOT(band)= -0.085701 trlgG= -0.106226 logG= -0.006507 TDE= -0.042465 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005214 tlogG= -0.023821 logG= -0.029035 Density= 0.215313 ETOT(band)= -0.233800 trlgG= -0.294208 logG= -0.029035 TDE= -0.171441 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004927 tlogG= -0.022922 logG= -0.027850 Density= 0.214777 ETOT(band)= -0.232437 trlgG= -0.289727 logG= -0.027850 TDE= -0.170446 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.024021 logG= -0.029165 Density= 0.216333 ETOT(band)= -0.233377 trlgG= -0.294389 logG= -0.029165 TDE= -0.171611 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007124 logG= -0.008803 Density= 0.072222 ETOT(band)= -0.076492 trlgG= -0.094855 logG= -0.008803 TDE= -0.056628 logGD-logG0= -0.004730 tlogG= -0.024025 logG= -0.028755 Density= 0.321535 ETOT(band)= -0.351164 trlgG= -0.441394 logG= -0.028755 TDE= -0.171239 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.024144 logG= -0.029417 Density= 0.215698 ETOT(band)= -0.234050 trlgG= -0.295280 logG= -0.029417 TDE= -0.171625 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.022311 logG= -0.027217 Density= 0.214240 ETOT(band)= -0.232478 trlgG= -0.289479 logG= -0.027217 TDE= -0.170181 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005210 tlogG= -0.023502 logG= -0.028712 Density= 0.215194 ETOT(band)= -0.233365 trlgG= -0.292945 logG= -0.028712 TDE= -0.171184 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023864 logG= -0.028897 Density= 0.215475 ETOT(band)= -0.233796 trlgG= -0.294314 logG= -0.028897 TDE= -0.171128 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.022491 logG= -0.027367 Density= 0.215002 ETOT(band)= -0.231701 trlgG= -0.288083 logG= -0.027367 TDE= -0.170194 logGD-logG0= -0.005002 tlogG= -0.024182 logG= -0.029183 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322410 ETOT(band)= -0.351277 trlgG= -0.442075 logG= -0.029183 TDE= -0.171245 logGD-logG0= -0.005138 tlogG= -0.023978 logG= -0.029115 Density= 0.216367 ETOT(band)= -0.233273 trlgG= -0.294157 logG= -0.029115 TDE= -0.171584 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.022460 logG= -0.027535 logGD-logG0= -0.010318 tlogG= -0.047829 logG= -0.058147 Density= 0.216349 ETOT(band)= -0.231323 trlgG= -0.288643 logG= -0.027535 TDE= -0.170582 Density= 0.324318 ETOT(band)= -0.349970 trlgG= -0.441082 logG= -0.058147 TDE= -0.343061 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.023900 logG= -0.028776 Density= 0.213768 ETOT(band)= -0.234046 trlgG= -0.293042 logG= -0.028776 TDE= -0.170807 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023436 logG= -0.028600 logGD-logG0= -0.010093 tlogG= -0.045668 logG= -0.055761 logGD-logG0= -0.004976 tlogG= -0.024176 logG= -0.029152 logGD-logG0= -0.005207 tlogG= -0.024103 logG= -0.029310 Density= 0.214721 ETOT(band)= -0.234204 trlgG= -0.294566 logG= -0.029152 TDE= -0.171250 Density= 0.324013 ETOT(band)= -0.348002 trlgG= -0.435027 logG= -0.055761 TDE= -0.341488 Density= 0.323031 ETOT(band)= -0.351250 trlgG= -0.442728 logG= -0.029310 TDE= -0.171439 Density= 0.216177 ETOT(band)= -0.232695 trlgG= -0.292244 logG= -0.028600 TDE= -0.171204 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010604 tlogG= -0.048081 logG= -0.058686 Density= 0.323216 ETOT(band)= -0.351042 trlgG= -0.442425 logG= -0.058686 TDE= -0.343054 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009598 tlogG= -0.046644 logG= -0.056242 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322675 ETOT(band)= -0.349070 trlgG= -0.436458 logG= -0.056242 TDE= -0.341638 logGD-logG0= -0.005157 tlogG= -0.023783 logG= -0.028941 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010362 tlogG= -0.046457 logG= -0.056819 Density= 0.216256 ETOT(band)= -0.233075 trlgG= -0.293452 logG= -0.028941 TDE= -0.171443 Density= 0.323965 ETOT(band)= -0.348946 trlgG= -0.437647 logG= -0.056819 TDE= -0.342112 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004641 tlogG= -0.023387 logG= -0.028028 logGD-logG0= -0.004987 tlogG= -0.023264 logG= -0.028251 Density= 0.321605 ETOT(band)= -0.350116 trlgG= -0.438817 logG= -0.028028 TDE= -0.170914 Density= 0.321673 ETOT(band)= -0.350622 trlgG= -0.439669 logG= -0.028251 TDE= -0.170870 logGD-logG0= -0.010364 tlogG= -0.047278 logG= -0.057643 Density= 0.324100 ETOT(band)= -0.349603 trlgG= -0.439733 logG= -0.057643 TDE= -0.342669 logGD-logG0= -0.004697 tlogG= -0.024026 logG= -0.028723 logGD-logG0= -0.005322 tlogG= -0.023920 logG= -0.029241 Density= 0.215625 ETOT(band)= -0.233797 trlgG= -0.294593 logG= -0.029241 TDE= -0.171449 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023264 logG= -0.028004 Density= 0.213478 ETOT(band)= -0.233652 trlgG= -0.292260 logG= -0.028004 TDE= -0.170759 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214100 ETOT(band)= -0.234123 trlgG= -0.294166 logG= -0.028723 TDE= -0.171244 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.023979 logG= -0.029286 Density= 0.323629 ETOT(band)= -0.350715 trlgG= -0.442170 logG= -0.029286 TDE= -0.171497 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009367 tlogG= -0.046748 logG= -0.056114 logGD-logG0= -0.004609 tlogG= -0.023390 logG= -0.027999 Density= 0.427852 ETOT(band)= -0.466204 trlgG= -0.581917 logG= -0.056114 TDE= -0.341247 logGD-logG0= -0.005037 tlogG= -0.021901 logG= -0.026937 Density= 0.216605 ETOT(band)= -0.230325 trlgG= -0.286526 logG= -0.026937 TDE= -0.170242 Density= 0.214163 ETOT(band)= -0.233410 trlgG= -0.292373 logG= -0.027999 TDE= -0.170922 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008876 tlogG= -0.048130 logG= -0.057006 Density= 0.425493 ETOT(band)= -0.468415 trlgG= -0.586528 logG= -0.057006 TDE= -0.341804 logGD-logG0= -0.005370 tlogG= -0.023706 logG= -0.029075 Density= 0.215387 ETOT(band)= -0.233649 trlgG= -0.293894 logG= -0.029075 TDE= -0.171272 logGD-logG0= -0.009555 tlogG= -0.047878 logG= -0.057433 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427997 ETOT(band)= -0.468230 trlgG= -0.587918 logG= -0.057433 TDE= -0.342294 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.048260 logG= -0.058453 logGD-logG0= -0.004864 tlogG= -0.021322 logG= -0.026187 Density= 0.429996 ETOT(band)= -0.468347 trlgG= -0.589464 logG= -0.058453 TDE= -0.342558 Density= 0.162632 ETOT(band)= -0.173015 trlgG= -0.215947 logG= -0.026187 TDE= -0.169897 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010571 tlogG= -0.047768 logG= -0.058339 Density= 0.430709 ETOT(band)= -0.467600 trlgG= -0.588422 logG= -0.058339 TDE= -0.342700 logGD-logG0= -0.010059 tlogG= -0.048187 logG= -0.058246 Density= 0.429260 ETOT(band)= -0.468342 trlgG= -0.588692 logG= -0.058246 TDE= -0.342340 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047996 logG= -0.058223 Density= 0.429164 ETOT(band)= -0.468304 trlgG= -0.588339 logG= -0.058223 TDE= -0.342182 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009731 tlogG= -0.047892 logG= -0.057623 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009568 tlogG= -0.047685 logG= -0.057253 Density= 0.426631 ETOT(band)= -0.468443 trlgG= -0.587051 logG= -0.057253 TDE= -0.341825 logGD-logG0= -0.004947 tlogG= -0.021372 logG= -0.026319 Density= 0.216998 ETOT(band)= -0.229217 trlgG= -0.284322 logG= -0.026319 TDE= -0.169910 logGD-logG0= -0.010170 tlogG= -0.047706 logG= -0.057876 Density= 0.429095 ETOT(band)= -0.468006 trlgG= -0.587891 logG= -0.057623 TDE= -0.342281 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428251 ETOT(band)= -0.468213 trlgG= -0.587251 logG= -0.057876 TDE= -0.341935 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048110 logG= -0.058512 Density= 0.430102 ETOT(band)= -0.468177 trlgG= -0.589136 logG= -0.058512 TDE= -0.342683 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009418 tlogG= -0.046646 logG= -0.056064 Density= 0.428056 ETOT(band)= -0.466926 trlgG= -0.584524 logG= -0.056064 TDE= -0.341663 logGD-logG0= -0.010670 tlogG= -0.047736 logG= -0.058406 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431050 ETOT(band)= -0.467544 trlgG= -0.588782 logG= -0.058406 TDE= -0.342807 logGD-logG0= -0.009522 tlogG= -0.047804 logG= -0.057326 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427136 ETOT(band)= -0.467992 trlgG= -0.585903 logG= -0.057326 TDE= -0.341527 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010594 tlogG= -0.048061 logG= -0.058655 Density= 0.431290 ETOT(band)= -0.467827 trlgG= -0.589776 logG= -0.058655 TDE= -0.343072 logGD-logG0= -0.010231 tlogG= -0.046969 logG= -0.057200 Density= 0.429839 ETOT(band)= -0.466549 trlgG= -0.584296 logG= -0.057200 TDE= -0.341651 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.046439 logG= -0.056286 Density= 0.429491 ETOT(band)= -0.465633 trlgG= -0.581593 logG= -0.056286 TDE= -0.341359 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047598 logG= -0.057510 Density= 0.428567 ETOT(band)= -0.467557 trlgG= -0.586289 logG= -0.057510 TDE= -0.341979 logGD-logG0= -0.010630 tlogG= -0.047307 logG= -0.057937 Density= 0.430439 ETOT(band)= -0.467176 trlgG= -0.586950 logG= -0.057937 TDE= -0.342316 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010155 tlogG= -0.047609 logG= -0.057764 Density= 0.429968 ETOT(band)= -0.467196 trlgG= -0.586227 logG= -0.057764 TDE= -0.342096 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.022347 logG= -0.027140 Density= 0.322842 ETOT(band)= -0.348038 trlgG= -0.434068 logG= -0.027140 TDE= -0.170263 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009884 tlogG= -0.044661 logG= -0.054545 Density= 0.324255 ETOT(band)= -0.346732 trlgG= -0.432016 logG= -0.054545 TDE= -0.340810 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.021227 logG= -0.026133 Density= 0.216324 ETOT(band)= -0.230077 trlgG= -0.285578 logG= -0.026133 TDE= -0.169817 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009732 tlogG= -0.044664 logG= -0.054396 Density= 0.431565 ETOT(band)= -0.462159 trlgG= -0.574815 logG= -0.054396 TDE= -0.340444 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.872507270340 eV TrLogG= -407.308941506186 eV Ratio to renormalize= 1.000126532906 rho-rho_expected=-0.002783371747 nargs= 1 argi=dmft2.def 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964631298198220 0.940376302388977 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002306 tlogG= -0.011894 logG= -0.014200 Density= 0.053557 ETOT(band)= -0.058411 trlgG= -0.073274 logG= -0.014200 TDE= -0.085576 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004509 tlogG= -0.024064 logG= -0.028573 Density= 0.106379 ETOT(band)= -0.117173 trlgG= -0.146813 logG= -0.028573 TDE= -0.170881 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.023705 logG= -0.028954 Density= 0.107222 ETOT(band)= -0.117022 trlgG= -0.146865 logG= -0.028954 TDE= -0.170970 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.022896 logG= -0.027969 logGD-logG0= -0.004868 tlogG= -0.023911 logG= -0.028780 Density= 0.107607 ETOT(band)= -0.116316 trlgG= -0.145358 logG= -0.027969 TDE= -0.170638 logGD-logG0= -0.004992 tlogG= -0.022757 logG= -0.027749 Density= 0.108239 ETOT(band)= -0.115892 trlgG= -0.145019 logG= -0.027749 TDE= -0.170832 logGD-logG0= -0.004963 tlogG= -0.023662 logG= -0.028624 Density= 0.106969 ETOT(band)= -0.116950 trlgG= -0.146314 logG= -0.028624 TDE= -0.170623 Density= 0.106747 ETOT(band)= -0.117133 trlgG= -0.146926 logG= -0.028780 TDE= -0.170970 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010851 logG= -0.013295 Density= 0.054058 ETOT(band)= -0.057600 trlgG= -0.071551 logG= -0.013295 TDE= -0.085007 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000854 logG= -0.001048 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005853 logG= -0.001048 TDE= -0.007053 logGD-logG0= -0.002584 tlogG= -0.012043 logG= -0.014626 Density= 0.053758 ETOT(band)= -0.058544 trlgG= -0.073694 logG= -0.014626 TDE= -0.085670 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002401 tlogG= -0.012093 logG= -0.014494 Density= 0.053579 ETOT(band)= -0.058555 trlgG= -0.073636 logG= -0.014494 TDE= -0.085656 logGD-logG0= -0.002313 tlogG= -0.011458 logG= -0.013772 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053732 ETOT(band)= -0.058080 trlgG= -0.072509 logG= -0.013772 TDE= -0.085327 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001474 tlogG= -0.007817 logG= -0.009291 Density= 0.035489 ETOT(band)= -0.038931 trlgG= -0.048612 logG= -0.009291 TDE= -0.056883 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001393 tlogG= -0.008051 logG= -0.009443 Density= 0.035310 ETOT(band)= -0.039083 trlgG= -0.048977 logG= -0.009443 TDE= -0.057007 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002539 tlogG= -0.011996 logG= -0.014535 Density= 0.054132 ETOT(band)= -0.058306 trlgG= -0.073558 logG= -0.014535 TDE= -0.085810 logGD-logG0= -0.002608 tlogG= -0.012000 logG= -0.014607 Density= 0.053978 ETOT(band)= -0.058427 trlgG= -0.073678 logG= -0.014607 TDE= -0.085782 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024092 logG= -0.029334 Density= 0.107633 ETOT(band)= -0.117088 trlgG= -0.147534 logG= -0.029334 TDE= -0.171462 logGD-logG0= -0.005111 tlogG= -0.023787 logG= -0.028898 logGD-logG0= -0.004996 tlogG= -0.022480 logG= -0.027476 Density= 0.108193 ETOT(band)= -0.115756 trlgG= -0.144582 logG= -0.027476 TDE= -0.170645 Density= 0.108167 ETOT(band)= -0.116561 trlgG= -0.146841 logG= -0.028898 TDE= -0.171470 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.023454 logG= -0.028560 logGD-logG0= -0.005098 tlogG= -0.023973 logG= -0.029072 Density= 0.108218 ETOT(band)= -0.116636 trlgG= -0.147120 logG= -0.029072 TDE= -0.171600 logGD-logG0= -0.004913 tlogG= -0.022193 logG= -0.027106 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108349 ETOT(band)= -0.115450 trlgG= -0.143974 logG= -0.027106 TDE= -0.170485 logGD-logG0= -0.004312 tlogG= -0.023993 logG= -0.028305 Density= 0.106159 ETOT(band)= -0.117141 trlgG= -0.146690 logG= -0.028305 TDE= -0.170918 logGD-logG0= -0.004586 tlogG= -0.023224 logG= -0.027810 Density= 0.106727 ETOT(band)= -0.116641 trlgG= -0.145484 logG= -0.027810 TDE= -0.170487 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108121 ETOT(band)= -0.116399 trlgG= -0.146305 logG= -0.028560 TDE= -0.171249 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.023006 logG= -0.028070 Density= 0.108125 ETOT(band)= -0.116129 trlgG= -0.145530 logG= -0.028070 TDE= -0.170966 logGD-logG0= -0.005282 tlogG= -0.024157 logG= -0.029438 logGD-logG0= -0.004826 tlogG= -0.022871 logG= -0.027697 Density= 0.107801 ETOT(band)= -0.117084 trlgG= -0.147723 logG= -0.029438 TDE= -0.171630 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023629 logG= -0.028716 Density= 0.108193 ETOT(band)= -0.116446 trlgG= -0.146550 logG= -0.028716 TDE= -0.171373 Density= 0.107738 ETOT(band)= -0.116112 trlgG= -0.144945 logG= -0.027697 TDE= -0.170563 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023895 logG= -0.028980 Density= 0.108239 ETOT(band)= -0.116572 trlgG= -0.146971 logG= -0.028980 TDE= -0.171553 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.022429 logG= -0.027404 Density= 0.107625 ETOT(band)= -0.115983 trlgG= -0.144462 logG= -0.027404 TDE= -0.170316 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023709 logG= -0.028502 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005057 tlogG= -0.023239 logG= -0.028296 logGD-logG0= -0.005275 tlogG= -0.023923 logG= -0.029198 logGD-logG0= -0.004673 tlogG= -0.023008 logG= -0.027681 Density= 0.106862 ETOT(band)= -0.116510 trlgG= -0.145222 logG= -0.027681 TDE= -0.170422 Density= 0.108184 ETOT(band)= -0.116222 trlgG= -0.145886 logG= -0.028296 TDE= -0.171125 Density= 0.107369 ETOT(band)= -0.116742 trlgG= -0.146413 logG= -0.028502 TDE= -0.171042 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107742 ETOT(band)= -0.116954 trlgG= -0.147319 logG= -0.029198 TDE= -0.171437 logGD-logG0= -0.005192 tlogG= -0.023988 logG= -0.029180 logGD-logG0= -0.004644 tlogG= -0.023687 logG= -0.028331 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106588 ETOT(band)= -0.116979 trlgG= -0.146399 logG= -0.028331 TDE= -0.170813 logGD-logG0= -0.004698 tlogG= -0.023519 logG= -0.028217 Density= 0.106764 ETOT(band)= -0.116832 trlgG= -0.145968 logG= -0.028217 TDE= -0.170583 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107434 ETOT(band)= -0.117074 trlgG= -0.147260 logG= -0.029180 TDE= -0.171244 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.024090 logG= -0.028933 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107047 ETOT(band)= -0.117115 trlgG= -0.147180 logG= -0.028933 TDE= -0.171219 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023708 logG= -0.028378 Density= 0.106966 ETOT(band)= -0.116861 trlgG= -0.146504 logG= -0.028378 TDE= -0.171058 logGD-logG0= -0.005265 tlogG= -0.023217 logG= -0.028482 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.024114 logG= -0.029070 Density= 0.107370 ETOT(band)= -0.117053 trlgG= -0.147154 logG= -0.029070 TDE= -0.171216 Density= 0.107673 ETOT(band)= -0.116565 trlgG= -0.146168 logG= -0.028482 TDE= -0.170968 logGD-logG0= -0.004703 tlogG= -0.022873 logG= -0.027576 Density= 0.107287 ETOT(band)= -0.116256 trlgG= -0.145071 logG= -0.027576 TDE= -0.170586 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023894 logG= -0.029129 Density= 0.107906 ETOT(band)= -0.116823 trlgG= -0.147213 logG= -0.029129 TDE= -0.171481 logGD-logG0= -0.005249 tlogG= -0.024111 logG= -0.029359 logGD-logG0= -0.009709 tlogG= -0.048286 logG= -0.057995 Density= 0.107878 ETOT(band)= -0.116996 trlgG= -0.147598 logG= -0.029359 TDE= -0.171622 Density= 0.214383 ETOT(band)= -0.234188 trlgG= -0.294435 logG= -0.057995 TDE= -0.342528 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009395 tlogG= -0.045803 logG= -0.055198 logGD-logG0= -0.005272 tlogG= -0.023603 logG= -0.028875 Density= 0.214999 ETOT(band)= -0.232346 trlgG= -0.290043 logG= -0.055198 TDE= -0.341238 Density= 0.107790 ETOT(band)= -0.116726 trlgG= -0.146797 logG= -0.028875 TDE= -0.171262 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009036 tlogG= -0.047669 logG= -0.056705 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002382 tlogG= -0.010438 logG= -0.012820 Density= 0.054373 ETOT(band)= -0.057083 trlgG= -0.070705 logG= -0.012820 TDE= -0.084791 Density= 0.212907 ETOT(band)= -0.234080 trlgG= -0.292928 logG= -0.056705 TDE= -0.341579 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009854 tlogG= -0.047943 logG= -0.057797 Density= 0.213951 ETOT(band)= -0.234226 trlgG= -0.294123 logG= -0.057797 TDE= -0.342200 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009674 tlogG= -0.045633 logG= -0.055307 logGD-logG0= -0.009574 tlogG= -0.047202 logG= -0.056776 Density= 0.213748 ETOT(band)= -0.233781 trlgG= -0.292859 logG= -0.056776 TDE= -0.341856 Density= 0.214345 ETOT(band)= -0.232696 trlgG= -0.290221 logG= -0.055307 TDE= -0.340982 logGD-logG0= -0.010431 tlogG= -0.047790 logG= -0.058221 Density= 0.214739 ETOT(band)= -0.234112 trlgG= -0.294273 logG= -0.058221 TDE= -0.342316 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.024082 logG= -0.029306 Density= 0.107937 ETOT(band)= -0.116929 trlgG= -0.147509 logG= -0.029306 TDE= -0.171616 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010386 tlogG= -0.048124 logG= -0.058510 logGD-logG0= -0.010235 tlogG= -0.048022 logG= -0.058257 Density= 0.215053 ETOT(band)= -0.234165 trlgG= -0.294785 logG= -0.058510 TDE= -0.342693 Density= 0.215056 ETOT(band)= -0.234020 trlgG= -0.294368 logG= -0.058257 TDE= -0.342531 logGD-logG0= -0.009347 tlogG= -0.047490 logG= -0.056837 logGD-logG0= -0.009466 tlogG= -0.047969 logG= -0.057435 Density= 0.213254 ETOT(band)= -0.234289 trlgG= -0.293575 logG= -0.057435 TDE= -0.341669 logGD-logG0= -0.001611 tlogG= -0.006999 logG= -0.008610 Density= 0.036192 ETOT(band)= -0.038134 trlgG= -0.047255 logG= -0.008610 TDE= -0.056555 Density= 0.214293 ETOT(band)= -0.233612 trlgG= -0.292990 logG= -0.056837 TDE= -0.342195 logGD-logG0= -0.009780 tlogG= -0.045692 logG= -0.055472 Density= 0.215131 ETOT(band)= -0.232422 trlgG= -0.290035 logG= -0.055472 TDE= -0.341021 logGD-logG0= -0.001678 tlogG= -0.007311 logG= -0.008989 Density= 0.035840 ETOT(band)= -0.038582 trlgG= -0.047916 logG= -0.008989 TDE= -0.056663 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.047829 logG= -0.058125 logGD-logG0= -0.010520 tlogG= -0.047576 logG= -0.058096 Density= 0.214638 ETOT(band)= -0.234105 trlgG= -0.294104 logG= -0.058125 TDE= -0.342193 logGD-logG0= -0.010468 tlogG= -0.048058 logG= -0.058526 logGD-logG0= -0.010445 tlogG= -0.047989 logG= -0.058434 Density= 0.215878 ETOT(band)= -0.233729 trlgG= -0.294719 logG= -0.058434 TDE= -0.343112 logGD-logG0= -0.009978 tlogG= -0.048072 logG= -0.058050 Density= 0.214514 ETOT(band)= -0.234134 trlgG= -0.294184 logG= -0.058050 TDE= -0.342287 Density= 0.215682 ETOT(band)= -0.233612 trlgG= -0.294157 logG= -0.058096 TDE= -0.342791 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215090 ETOT(band)= -0.234156 trlgG= -0.294812 logG= -0.058526 TDE= -0.342723 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010325 tlogG= -0.047349 logG= -0.057674 Density= 0.214244 ETOT(band)= -0.234005 trlgG= -0.293353 logG= -0.057674 TDE= -0.341698 logGD-logG0= -0.010096 tlogG= -0.047701 logG= -0.057798 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213932 ETOT(band)= -0.234213 trlgG= -0.293876 logG= -0.057798 TDE= -0.341942 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010532 tlogG= -0.046922 logG= -0.057454 Density= 0.215412 ETOT(band)= -0.233375 trlgG= -0.293115 logG= -0.057454 TDE= -0.342257 logGD-logG0= -0.010581 tlogG= -0.048189 logG= -0.058769 Density= 0.215406 ETOT(band)= -0.234182 trlgG= -0.295249 logG= -0.058769 TDE= -0.343073 logGD-logG0= -0.010500 tlogG= -0.047938 logG= -0.058437 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215749 ETOT(band)= -0.233801 trlgG= -0.294721 logG= -0.058437 TDE= -0.343048 logGD-logG0= -0.010093 tlogG= -0.046455 logG= -0.056548 Density= 0.215198 ETOT(band)= -0.232984 trlgG= -0.291671 logG= -0.056548 TDE= -0.341614 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010490 tlogG= -0.047464 logG= -0.057955 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215450 ETOT(band)= -0.233652 trlgG= -0.293916 logG= -0.057955 TDE= -0.342577 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009740 tlogG= -0.047193 logG= -0.056932 Density= 0.213759 ETOT(band)= -0.233825 trlgG= -0.292651 logG= -0.056932 TDE= -0.341498 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010005 tlogG= -0.047195 logG= -0.057200 Density= 0.215133 ETOT(band)= -0.233386 trlgG= -0.292689 logG= -0.057200 TDE= -0.341948 logGD-logG0= -0.009703 tlogG= -0.047267 logG= -0.056970 Density= 0.214459 ETOT(band)= -0.233573 trlgG= -0.292763 logG= -0.056970 TDE= -0.341918 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004863 tlogG= -0.021587 logG= -0.026450 Density= 0.108504 ETOT(band)= -0.114899 trlgG= -0.142846 logG= -0.026450 TDE= -0.170089 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004782 tlogG= -0.021012 logG= -0.025794 Density= 0.108699 ETOT(band)= -0.114312 trlgG= -0.141689 logG= -0.025794 TDE= -0.169685 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004949 tlogG= -0.021898 logG= -0.026847 Density= 0.108314 ETOT(band)= -0.115266 trlgG= -0.143526 logG= -0.026847 TDE= -0.170278 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004285 tlogG= -0.024070 logG= -0.028355 logGD-logG0= -0.005031 tlogG= -0.021839 logG= -0.026869 Density= 0.106107 ETOT(band)= -0.117184 trlgG= -0.146804 logG= -0.028355 TDE= -0.170956 Density= 0.107779 ETOT(band)= -0.115555 trlgG= -0.143587 logG= -0.026869 TDE= -0.170052 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.021716 logG= -0.026687 Density= 0.107922 ETOT(band)= -0.115362 trlgG= -0.143277 logG= -0.026687 TDE= -0.169996 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001247 tlogG= -0.005754 logG= -0.007001 Density= 0.080629 ETOT(band)= -0.087414 trlgG= -0.109629 logG= -0.007001 TDE= -0.042751 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009937 tlogG= -0.043432 logG= -0.053369 Density= 0.216258 ETOT(band)= -0.230513 trlgG= -0.286531 logG= -0.053369 TDE= -0.340177 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.023978 logG= -0.029013 Density= 0.214322 ETOT(band)= -0.234139 trlgG= -0.293961 logG= -0.029013 TDE= -0.171082 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004536 tlogG= -0.023991 logG= -0.028528 Density= 0.212790 ETOT(band)= -0.234316 trlgG= -0.293531 logG= -0.028528 TDE= -0.170848 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005135 tlogG= -0.022991 logG= -0.028127 Density= 0.216207 ETOT(band)= -0.232127 trlgG= -0.290638 logG= -0.028127 TDE= -0.170921 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.023901 logG= -0.028777 Density= 0.213770 ETOT(band)= -0.234053 trlgG= -0.293052 logG= -0.028777 TDE= -0.170811 logGD-logG0= -0.004791 tlogG= -0.023858 logG= -0.028649 Density= 0.213555 ETOT(band)= -0.234192 trlgG= -0.293788 logG= -0.028649 TDE= -0.171067 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023214 logG= -0.028342 Density= 0.214850 ETOT(band)= -0.232998 trlgG= -0.291269 logG= -0.028342 TDE= -0.170639 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001214 tlogG= -0.005474 logG= -0.006687 Density= 0.081193 ETOT(band)= -0.086372 trlgG= -0.107389 logG= -0.006687 TDE= -0.042577 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001419 tlogG= -0.007972 logG= -0.009391 Density= 0.070860 ETOT(band)= -0.077964 trlgG= -0.097468 logG= -0.009391 TDE= -0.056968 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005945 logG= -0.007211 Density= 0.080825 ETOT(band)= -0.087664 trlgG= -0.110382 logG= -0.007211 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004392 tlogG= -0.023759 logG= -0.028151 Density= 0.213068 ETOT(band)= -0.233630 trlgG= -0.291808 logG= -0.028151 TDE= -0.170797 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005861 logG= -0.007123 Density= 0.080641 ETOT(band)= -0.087629 trlgG= -0.110184 logG= -0.007123 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004562 tlogG= -0.023909 logG= -0.028471 Density= 0.213263 ETOT(band)= -0.233906 trlgG= -0.292537 logG= -0.028471 TDE= -0.170800 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001176 tlogG= -0.005177 logG= -0.006353 Density= 0.062535 ETOT(band)= -0.067558 trlgG= -0.084222 logG= -0.006353 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001567 tlogG= -0.006882 logG= -0.008449 logGD-logG0= -0.001265 tlogG= -0.005989 logG= -0.007255 logGD-logG0= -0.004448 tlogG= -0.023605 logG= -0.028053 Density= 0.212600 ETOT(band)= -0.234038 trlgG= -0.292783 logG= -0.028053 TDE= -0.170712 Density= 0.081053 ETOT(band)= -0.087567 trlgG= -0.110436 logG= -0.007255 TDE= -0.042901 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040844 ETOT(band)= -0.042682 trlgG= -0.052807 logG= -0.008449 TDE= -0.056469 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001226 tlogG= -0.005625 logG= -0.006852 Density= 0.080830 ETOT(band)= -0.086985 trlgG= -0.108626 logG= -0.006852 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004927 tlogG= -0.022924 logG= -0.027851 Density= 0.214779 ETOT(band)= -0.232444 trlgG= -0.289737 logG= -0.027851 TDE= -0.170450 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007595 logG= -0.009153 Density= 0.071491 ETOT(band)= -0.077362 trlgG= -0.096171 logG= -0.009153 TDE= -0.056743 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005180 tlogG= -0.024025 logG= -0.029205 Density= 0.215668 ETOT(band)= -0.233901 trlgG= -0.294875 logG= -0.029205 TDE= -0.171598 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023785 logG= -0.028942 Density= 0.216259 ETOT(band)= -0.233081 trlgG= -0.293462 logG= -0.028942 TDE= -0.171447 logGD-logG0= -0.004975 tlogG= -0.024178 logG= -0.029153 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214723 ETOT(band)= -0.234211 trlgG= -0.294576 logG= -0.029153 TDE= -0.171255 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023503 logG= -0.028713 Density= 0.215197 ETOT(band)= -0.233372 trlgG= -0.292955 logG= -0.028713 TDE= -0.171188 logGD-logG0= -0.001194 tlogG= -0.005313 logG= -0.006507 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081551 ETOT(band)= -0.085704 trlgG= -0.106229 logG= -0.006507 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005214 tlogG= -0.023823 logG= -0.029036 Density= 0.215316 ETOT(band)= -0.233807 trlgG= -0.294219 logG= -0.029036 TDE= -0.171445 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005321 tlogG= -0.023922 logG= -0.029243 Density= 0.215627 ETOT(band)= -0.233804 trlgG= -0.294603 logG= -0.029243 TDE= -0.171454 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004729 tlogG= -0.024027 logG= -0.028756 logGD-logG0= -0.005137 tlogG= -0.023980 logG= -0.029117 Density= 0.321539 ETOT(band)= -0.351175 trlgG= -0.441410 logG= -0.028756 TDE= -0.171244 logGD-logG0= -0.005144 tlogG= -0.024023 logG= -0.029167 Density= 0.216336 ETOT(band)= -0.233384 trlgG= -0.294399 logG= -0.029167 TDE= -0.171615 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216369 ETOT(band)= -0.233280 trlgG= -0.294167 logG= -0.029117 TDE= -0.171588 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005075 tlogG= -0.022462 logG= -0.027536 Density= 0.216351 ETOT(band)= -0.231329 trlgG= -0.288652 logG= -0.027536 TDE= -0.170587 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004864 tlogG= -0.021324 logG= -0.026188 Density= 0.162634 ETOT(band)= -0.173020 trlgG= -0.215955 logG= -0.026188 TDE= -0.169901 logGD-logG0= -0.009366 tlogG= -0.046751 logG= -0.056117 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.427855 ETOT(band)= -0.466218 trlgG= -0.581938 logG= -0.056117 TDE= -0.341256 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005032 tlogG= -0.023866 logG= -0.028898 logGD-logG0= -0.005001 tlogG= -0.024183 logG= -0.029184 Density= 0.215478 ETOT(band)= -0.233803 trlgG= -0.294324 logG= -0.028898 TDE= -0.171133 Density= 0.322414 ETOT(band)= -0.351288 trlgG= -0.442091 logG= -0.029184 TDE= -0.171250 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010317 tlogG= -0.047833 logG= -0.058150 Density= 0.324322 ETOT(band)= -0.349981 trlgG= -0.441097 logG= -0.058150 TDE= -0.343070 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023438 logG= -0.028602 logGD-logG0= -0.004905 tlogG= -0.022313 logG= -0.027218 Density= 0.214242 ETOT(band)= -0.232485 trlgG= -0.289490 logG= -0.027218 TDE= -0.170186 logGD-logG0= -0.010092 tlogG= -0.045671 logG= -0.055763 logGD-logG0= -0.008875 tlogG= -0.048133 logG= -0.057009 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001678 tlogG= -0.007125 logG= -0.008803 Density= 0.072223 ETOT(band)= -0.076495 trlgG= -0.094858 logG= -0.008803 TDE= -0.056630 Density= 0.216179 ETOT(band)= -0.232702 trlgG= -0.292254 logG= -0.028602 TDE= -0.171208 Density= 0.425497 ETOT(band)= -0.468430 trlgG= -0.586549 logG= -0.057009 TDE= -0.341813 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324017 ETOT(band)= -0.348012 trlgG= -0.435042 logG= -0.055763 TDE= -0.341497 logGD-logG0= -0.005369 tlogG= -0.023708 logG= -0.029077 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215390 ETOT(band)= -0.233656 trlgG= -0.293905 logG= -0.029077 TDE= -0.171276 logGD-logG0= -0.005206 tlogG= -0.024105 logG= -0.029311 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323035 ETOT(band)= -0.351260 trlgG= -0.442744 logG= -0.029311 TDE= -0.171444 logGD-logG0= -0.010603 tlogG= -0.048085 logG= -0.058688 logGD-logG0= -0.004696 tlogG= -0.024028 logG= -0.028724 Density= 0.323220 ETOT(band)= -0.351052 trlgG= -0.442441 logG= -0.058688 TDE= -0.343063 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214102 ETOT(band)= -0.234130 trlgG= -0.294177 logG= -0.028724 TDE= -0.171249 logGD-logG0= -0.009567 tlogG= -0.047688 logG= -0.057255 Density= 0.426635 ETOT(band)= -0.468457 trlgG= -0.587073 logG= -0.057255 TDE= -0.341834 logGD-logG0= -0.010363 tlogG= -0.047282 logG= -0.057645 logGD-logG0= -0.009597 tlogG= -0.046647 logG= -0.056244 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005273 tlogG= -0.024146 logG= -0.029418 Density= 0.322678 ETOT(band)= -0.349080 trlgG= -0.436473 logG= -0.056244 TDE= -0.341647 Density= 0.324104 ETOT(band)= -0.349613 trlgG= -0.439748 logG= -0.057645 TDE= -0.342678 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215700 ETOT(band)= -0.234057 trlgG= -0.295291 logG= -0.029418 TDE= -0.171630 logGD-logG0= -0.004987 tlogG= -0.023265 logG= -0.028252 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321676 ETOT(band)= -0.350632 trlgG= -0.439685 logG= -0.028252 TDE= -0.170875 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004641 tlogG= -0.023389 logG= -0.028029 Density= 0.321608 ETOT(band)= -0.350126 trlgG= -0.438833 logG= -0.028029 TDE= -0.170919 logGD-logG0= -0.004739 tlogG= -0.023266 logG= -0.028005 Density= 0.213480 ETOT(band)= -0.233659 trlgG= -0.292271 logG= -0.028005 TDE= -0.170763 logGD-logG0= -0.004876 tlogG= -0.022492 logG= -0.027368 Density= 0.215004 ETOT(band)= -0.231708 trlgG= -0.288093 logG= -0.027368 TDE= -0.170199 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010360 tlogG= -0.046461 logG= -0.056821 Density= 0.323969 ETOT(band)= -0.348956 trlgG= -0.437662 logG= -0.056821 TDE= -0.342121 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023981 logG= -0.029287 Density= 0.323633 ETOT(band)= -0.350725 trlgG= -0.442185 logG= -0.029287 TDE= -0.171502 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005393 tlogG= -0.023375 logG= -0.028768 Density= 0.215089 ETOT(band)= -0.233398 trlgG= -0.292764 logG= -0.028768 TDE= -0.170983 logGD-logG0= -0.004609 tlogG= -0.023392 logG= -0.028000 logGD-logG0= -0.009846 tlogG= -0.046443 logG= -0.056288 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429495 ETOT(band)= -0.465647 trlgG= -0.581613 logG= -0.056288 TDE= -0.341368 Density= 0.214165 ETOT(band)= -0.233417 trlgG= -0.292384 logG= -0.028000 TDE= -0.170927 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009554 tlogG= -0.047882 logG= -0.057436 Density= 0.428001 ETOT(band)= -0.468244 trlgG= -0.587939 logG= -0.057436 TDE= -0.342303 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010058 tlogG= -0.048191 logG= -0.058249 Density= 0.429265 ETOT(band)= -0.468356 trlgG= -0.588714 logG= -0.058249 TDE= -0.342350 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010668 tlogG= -0.047740 logG= -0.058408 logGD-logG0= -0.010169 tlogG= -0.047710 logG= -0.057879 Density= 0.428255 ETOT(band)= -0.468227 trlgG= -0.587272 logG= -0.057879 TDE= -0.341944 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431055 ETOT(band)= -0.467557 trlgG= -0.588803 logG= -0.058408 TDE= -0.342816 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009416 tlogG= -0.046650 logG= -0.056066 logGD-logG0= -0.010402 tlogG= -0.048113 logG= -0.058515 logGD-logG0= -0.010191 tlogG= -0.048264 logG= -0.058455 Density= 0.430001 ETOT(band)= -0.468361 trlgG= -0.589485 logG= -0.058455 TDE= -0.342567 Density= 0.428060 ETOT(band)= -0.466940 trlgG= -0.584545 logG= -0.056066 TDE= -0.341672 Density= 0.430107 ETOT(band)= -0.468191 trlgG= -0.589157 logG= -0.058515 TDE= -0.342693 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047999 logG= -0.058226 Density= 0.429168 ETOT(band)= -0.468318 trlgG= -0.588361 logG= -0.058226 TDE= -0.342192 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009730 tlogG= -0.047896 logG= -0.057626 Density= 0.429100 ETOT(band)= -0.468020 trlgG= -0.587912 logG= -0.057626 TDE= -0.342290 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.047771 logG= -0.058342 Density= 0.430714 ETOT(band)= -0.467614 trlgG= -0.588444 logG= -0.058342 TDE= -0.342709 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010592 tlogG= -0.048065 logG= -0.058658 Density= 0.431296 ETOT(band)= -0.467840 trlgG= -0.589797 logG= -0.058658 TDE= -0.343081 logGD-logG0= -0.005036 tlogG= -0.021902 logG= -0.026938 Density= 0.216608 ETOT(band)= -0.230331 trlgG= -0.286535 logG= -0.026938 TDE= -0.170247 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010230 tlogG= -0.046973 logG= -0.057203 Density= 0.429843 ETOT(band)= -0.466563 trlgG= -0.584317 logG= -0.057203 TDE= -0.341660 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009883 tlogG= -0.044664 logG= -0.054547 Density= 0.324259 ETOT(band)= -0.346742 trlgG= -0.432031 logG= -0.054547 TDE= -0.340819 logGD-logG0= -0.004792 tlogG= -0.022348 logG= -0.027141 logGD-logG0= -0.009911 tlogG= -0.047602 logG= -0.057512 Density= 0.322845 ETOT(band)= -0.348049 trlgG= -0.434084 logG= -0.027141 TDE= -0.170267 Density= 0.428571 ETOT(band)= -0.467572 trlgG= -0.586310 logG= -0.057512 TDE= -0.341988 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010630 tlogG= -0.047310 logG= -0.057940 Density= 0.430444 ETOT(band)= -0.467189 trlgG= -0.586971 logG= -0.057940 TDE= -0.342325 logGD-logG0= -0.004946 tlogG= -0.021374 logG= -0.026320 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217000 ETOT(band)= -0.229224 trlgG= -0.284331 logG= -0.026320 TDE= -0.169914 logGD-logG0= -0.010155 tlogG= -0.047612 logG= -0.057767 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429973 ETOT(band)= -0.467210 trlgG= -0.586248 logG= -0.057767 TDE= -0.342106 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009521 tlogG= -0.047807 logG= -0.057328 Density= 0.427140 ETOT(band)= -0.468007 trlgG= -0.585924 logG= -0.057328 TDE= -0.341536 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004259 tlogG= -0.024150 logG= -0.028409 Density= 0.212152 ETOT(band)= -0.234419 trlgG= -0.293731 logG= -0.028409 TDE= -0.170995 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004905 tlogG= -0.021229 logG= -0.026134 Density= 0.216326 ETOT(band)= -0.230084 trlgG= -0.285588 logG= -0.026134 TDE= -0.169821 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004752 tlogG= -0.022348 logG= -0.027100 Density= 0.215010 ETOT(band)= -0.231998 trlgG= -0.289137 logG= -0.027100 TDE= -0.170272 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009731 tlogG= -0.044667 logG= -0.054398 Density= 0.431570 ETOT(band)= -0.462173 trlgG= -0.574835 logG= -0.054398 TDE= -0.340453 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.882254900710 eV TrLogG= -407.325062540184 eV Ratio to renormalize= 1.000115916190 rho-rho_expected=-0.002549860603 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 51) Finished k-point number 104 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964651561944345 0.940399724204931 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001483 tlogG= -0.007814 logG= -0.009297 Density= 0.035484 ETOT(band)= -0.038933 trlgG= -0.048620 logG= -0.009297 TDE= -0.056882 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004314 tlogG= -0.024059 logG= -0.028373 Density= 0.106093 ETOT(band)= -0.117189 trlgG= -0.146826 logG= -0.028373 TDE= -0.170953 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023213 logG= -0.027828 Density= 0.106713 ETOT(band)= -0.116644 trlgG= -0.145505 logG= -0.027828 TDE= -0.170484 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.022417 logG= -0.027420 Density= 0.107614 ETOT(band)= -0.115984 trlgG= -0.144480 logG= -0.027420 TDE= -0.170313 logGD-logG0= -0.004701 tlogG= -0.022997 logG= -0.027698 Density= 0.106850 ETOT(band)= -0.116513 trlgG= -0.145243 logG= -0.027698 TDE= -0.170419 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004727 tlogG= -0.023508 logG= -0.028234 Density= 0.106751 ETOT(band)= -0.116835 trlgG= -0.145989 logG= -0.028234 TDE= -0.170580 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001687 tlogG= -0.007307 logG= -0.008994 Density= 0.035837 ETOT(band)= -0.038583 trlgG= -0.047922 logG= -0.008994 TDE= -0.056662 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005059 tlogG= -0.021827 logG= -0.026886 Density= 0.107768 ETOT(band)= -0.115556 trlgG= -0.143605 logG= -0.026886 TDE= -0.170048 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002321 tlogG= -0.011888 logG= -0.014209 Density= 0.053551 ETOT(band)= -0.058412 trlgG= -0.073284 logG= -0.014209 TDE= -0.085574 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004537 tlogG= -0.024054 logG= -0.028591 Density= 0.106365 ETOT(band)= -0.117176 trlgG= -0.146834 logG= -0.028591 TDE= -0.170878 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.022744 logG= -0.027764 Density= 0.108229 ETOT(band)= -0.115893 trlgG= -0.145036 logG= -0.027764 TDE= -0.170828 logGD-logG0= -0.005278 tlogG= -0.023693 logG= -0.028971 logGD-logG0= -0.005086 tlogG= -0.023226 logG= -0.028312 Density= 0.108175 ETOT(band)= -0.116222 trlgG= -0.145903 logG= -0.028312 TDE= -0.171121 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107210 ETOT(band)= -0.117024 trlgG= -0.146884 logG= -0.028971 TDE= -0.170966 logGD-logG0= -0.004672 tlogG= -0.023676 logG= -0.028348 Density= 0.106575 ETOT(band)= -0.116982 trlgG= -0.146420 logG= -0.028348 TDE= -0.170810 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022884 logG= -0.027986 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107595 ETOT(band)= -0.116318 trlgG= -0.145376 logG= -0.027986 TDE= -0.170634 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023205 logG= -0.028498 Density= 0.107662 ETOT(band)= -0.116566 trlgG= -0.146186 logG= -0.028498 TDE= -0.170965 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004734 trlgG= -0.005854 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002598 tlogG= -0.012037 logG= -0.014635 Density= 0.053752 ETOT(band)= -0.058544 trlgG= -0.073703 logG= -0.014635 TDE= -0.085668 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002416 tlogG= -0.012086 logG= -0.014502 Density= 0.053573 ETOT(band)= -0.058556 trlgG= -0.073646 logG= -0.014502 TDE= -0.085654 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002328 tlogG= -0.011452 logG= -0.013780 Density= 0.053726 ETOT(band)= -0.058081 trlgG= -0.072519 logG= -0.013780 TDE= -0.085325 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001402 tlogG= -0.008047 logG= -0.009449 Density= 0.035305 ETOT(band)= -0.039084 trlgG= -0.048984 logG= -0.009449 TDE= -0.057006 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002553 tlogG= -0.011989 logG= -0.014542 Density= 0.054128 ETOT(band)= -0.058306 trlgG= -0.073566 logG= -0.014542 TDE= -0.085808 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023960 logG= -0.029087 Density= 0.108209 ETOT(band)= -0.116636 trlgG= -0.147136 logG= -0.029087 TDE= -0.171596 logGD-logG0= -0.005093 tlogG= -0.022993 logG= -0.028086 Density= 0.108115 ETOT(band)= -0.116129 trlgG= -0.145547 logG= -0.028086 TDE= -0.170962 logGD-logG0= -0.005270 tlogG= -0.024080 logG= -0.029350 logGD-logG0= -0.005135 tlogG= -0.023441 logG= -0.028575 Density= 0.107622 ETOT(band)= -0.117089 trlgG= -0.147552 logG= -0.029350 TDE= -0.171459 Density= 0.108111 ETOT(band)= -0.116399 trlgG= -0.146322 logG= -0.028575 TDE= -0.171245 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005025 tlogG= -0.022467 logG= -0.027492 Density= 0.108183 ETOT(band)= -0.115756 trlgG= -0.144600 logG= -0.027492 TDE= -0.170642 logGD-logG0= -0.005140 tlogG= -0.023774 logG= -0.028914 Density= 0.108158 ETOT(band)= -0.116561 trlgG= -0.146858 logG= -0.028914 TDE= -0.171466 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004942 tlogG= -0.022180 logG= -0.027122 Density= 0.108340 ETOT(band)= -0.115450 trlgG= -0.143991 logG= -0.027122 TDE= -0.170481 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004985 tlogG= -0.024102 logG= -0.029086 Density= 0.107358 ETOT(band)= -0.117055 trlgG= -0.147174 logG= -0.029086 TDE= -0.171213 logGD-logG0= -0.004341 tlogG= -0.023982 logG= -0.028323 Density= 0.106145 ETOT(band)= -0.117145 trlgG= -0.146713 logG= -0.028323 TDE= -0.170916 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.024144 logG= -0.029454 Density= 0.107791 ETOT(band)= -0.117085 trlgG= -0.147741 logG= -0.029454 TDE= -0.171627 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004854 tlogG= -0.022859 logG= -0.027713 logGD-logG0= -0.002622 tlogG= -0.011993 logG= -0.014615 Density= 0.053973 ETOT(band)= -0.058427 trlgG= -0.073687 logG= -0.014615 TDE= -0.085780 Density= 0.107727 ETOT(band)= -0.116113 trlgG= -0.144964 logG= -0.027713 TDE= -0.170559 logGD-logG0= -0.004990 tlogG= -0.023651 logG= -0.028641 logGD-logG0= -0.005303 tlogG= -0.023911 logG= -0.029214 Density= 0.107731 ETOT(band)= -0.116955 trlgG= -0.147337 logG= -0.029214 TDE= -0.171434 logGD-logG0= -0.004821 tlogG= -0.023697 logG= -0.028518 Density= 0.107357 ETOT(band)= -0.116744 trlgG= -0.146432 logG= -0.028518 TDE= -0.171039 Density= 0.106956 ETOT(band)= -0.116953 trlgG= -0.146334 logG= -0.028641 TDE= -0.170620 logGD-logG0= -0.005116 tlogG= -0.023615 logG= -0.028732 Density= 0.108184 ETOT(band)= -0.116446 trlgG= -0.146566 logG= -0.028732 TDE= -0.171369 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023976 logG= -0.029197 Density= 0.107423 ETOT(band)= -0.117076 trlgG= -0.147279 logG= -0.029197 TDE= -0.171241 logGD-logG0= -0.004288 tlogG= -0.024139 logG= -0.028427 Density= 0.212123 ETOT(band)= -0.234428 trlgG= -0.293776 logG= -0.028427 TDE= -0.170992 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004700 tlogG= -0.023696 logG= -0.028395 Density= 0.106953 ETOT(band)= -0.116864 trlgG= -0.146524 logG= -0.028395 TDE= -0.171054 logGD-logG0= -0.004896 tlogG= -0.023901 logG= -0.028797 Density= 0.106734 ETOT(band)= -0.117136 trlgG= -0.146946 logG= -0.028797 TDE= -0.170967 logGD-logG0= -0.004872 tlogG= -0.024078 logG= -0.028950 Density= 0.107034 ETOT(band)= -0.117117 trlgG= -0.147200 logG= -0.028950 TDE= -0.171216 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023882 logG= -0.028995 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108230 ETOT(band)= -0.116571 trlgG= -0.146987 logG= -0.028995 TDE= -0.171549 logGD-logG0= -0.005264 tlogG= -0.023881 logG= -0.029145 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107896 ETOT(band)= -0.116823 trlgG= -0.147230 logG= -0.029145 TDE= -0.171478 logGD-logG0= -0.004421 tlogG= -0.023748 logG= -0.028168 Density= 0.213041 ETOT(band)= -0.233637 trlgG= -0.291851 logG= -0.028168 TDE= -0.170794 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009452 tlogG= -0.045779 logG= -0.055231 Density= 0.214976 ETOT(band)= -0.232350 trlgG= -0.290081 logG= -0.055231 TDE= -0.341231 logGD-logG0= -0.009767 tlogG= -0.048262 logG= -0.058029 Density= 0.214359 ETOT(band)= -0.234192 trlgG= -0.294475 logG= -0.058029 TDE= -0.342521 logGD-logG0= -0.005302 tlogG= -0.023590 logG= -0.028891 Density= 0.107780 ETOT(band)= -0.116727 trlgG= -0.146815 logG= -0.028891 TDE= -0.171259 logGD-logG0= -0.004731 tlogG= -0.022861 logG= -0.027592 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010431 logG= -0.012827 Density= 0.054369 ETOT(band)= -0.057082 trlgG= -0.070713 logG= -0.012827 TDE= -0.084790 Density= 0.107276 ETOT(band)= -0.116259 trlgG= -0.145090 logG= -0.027592 TDE= -0.170583 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023898 logG= -0.028488 Density= 0.213236 ETOT(band)= -0.233912 trlgG= -0.292580 logG= -0.028488 TDE= -0.170797 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005253 tlogG= -0.024069 logG= -0.029322 Density= 0.107927 ETOT(band)= -0.116929 trlgG= -0.147527 logG= -0.029322 TDE= -0.171613 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009093 tlogG= -0.047647 logG= -0.056741 logGD-logG0= -0.009633 tlogG= -0.047178 logG= -0.056811 logGD-logG0= -0.004955 tlogG= -0.022913 logG= -0.027868 Density= 0.214755 ETOT(band)= -0.232448 trlgG= -0.289776 logG= -0.027868 TDE= -0.170447 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213722 ETOT(band)= -0.233787 trlgG= -0.292900 logG= -0.056811 TDE= -0.341850 Density= 0.212879 ETOT(band)= -0.234088 trlgG= -0.292971 logG= -0.056741 TDE= -0.341573 logGD-logG0= -0.010488 tlogG= -0.047766 logG= -0.058254 Density= 0.214716 ETOT(band)= -0.234115 trlgG= -0.294311 logG= -0.058254 TDE= -0.342310 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009796 tlogG= -0.047171 logG= -0.056967 Density= 0.213734 ETOT(band)= -0.233830 trlgG= -0.292692 logG= -0.056967 TDE= -0.341491 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047919 logG= -0.057831 Density= 0.213926 ETOT(band)= -0.234231 trlgG= -0.294164 logG= -0.057831 TDE= -0.342193 logGD-logG0= -0.009523 tlogG= -0.047947 logG= -0.057469 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213227 ETOT(band)= -0.234296 trlgG= -0.293617 logG= -0.057469 TDE= -0.341663 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010291 tlogG= -0.047999 logG= -0.058290 Density= 0.215033 ETOT(band)= -0.234023 trlgG= -0.294405 logG= -0.058290 TDE= -0.342524 logGD-logG0= -0.010443 tlogG= -0.048100 logG= -0.058543 logGD-logG0= -0.009405 tlogG= -0.047466 logG= -0.056871 Density= 0.214268 ETOT(band)= -0.233616 trlgG= -0.293029 logG= -0.056871 TDE= -0.342189 logGD-logG0= -0.010036 tlogG= -0.048048 logG= -0.058083 logGD-logG0= -0.010524 tlogG= -0.048034 logG= -0.058558 Density= 0.215031 ETOT(band)= -0.234168 trlgG= -0.294822 logG= -0.058543 TDE= -0.342686 Density= 0.215067 ETOT(band)= -0.234159 trlgG= -0.294849 logG= -0.058558 TDE= -0.342716 logGD-logG0= -0.010578 tlogG= -0.047550 logG= -0.058128 Density= 0.215662 ETOT(band)= -0.233613 trlgG= -0.294192 logG= -0.058128 TDE= -0.342784 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214490 ETOT(band)= -0.234138 trlgG= -0.294223 logG= -0.058083 TDE= -0.342280 logGD-logG0= -0.001568 tlogG= -0.007591 logG= -0.009159 Density= 0.071483 ETOT(band)= -0.077364 trlgG= -0.096184 logG= -0.009159 TDE= -0.056742 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009837 tlogG= -0.045668 logG= -0.055505 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215109 ETOT(band)= -0.232425 trlgG= -0.290073 logG= -0.055505 TDE= -0.341015 logGD-logG0= -0.010353 tlogG= -0.047805 logG= -0.058158 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214615 ETOT(band)= -0.234109 trlgG= -0.294142 logG= -0.058158 TDE= -0.342186 logGD-logG0= -0.010503 tlogG= -0.047963 logG= -0.058466 logGD-logG0= -0.010381 tlogG= -0.047326 logG= -0.057707 Density= 0.214220 ETOT(band)= -0.234010 trlgG= -0.293393 logG= -0.057707 TDE= -0.341692 logGD-logG0= -0.010154 tlogG= -0.047678 logG= -0.057832 Density= 0.213906 ETOT(band)= -0.234218 trlgG= -0.293916 logG= -0.057832 TDE= -0.341936 logGD-logG0= -0.010150 tlogG= -0.046431 logG= -0.056581 Density= 0.215175 ETOT(band)= -0.232987 trlgG= -0.291708 logG= -0.056581 TDE= -0.341607 Density= 0.215858 ETOT(band)= -0.233729 trlgG= -0.294754 logG= -0.058466 TDE= -0.343105 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.046898 logG= -0.057487 Density= 0.215390 ETOT(band)= -0.233377 trlgG= -0.293151 logG= -0.057487 TDE= -0.342251 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009732 tlogG= -0.045609 logG= -0.055341 logGD-logG0= -0.010547 tlogG= -0.047440 logG= -0.057987 Density= 0.215429 ETOT(band)= -0.233654 trlgG= -0.293952 logG= -0.057987 TDE= -0.342570 logGD-logG0= -0.001620 tlogG= -0.006995 logG= -0.008615 Density= 0.214320 ETOT(band)= -0.232701 trlgG= -0.290260 logG= -0.055341 TDE= -0.340976 logGD-logG0= -0.010637 tlogG= -0.048165 logG= -0.058802 Density= 0.215384 ETOT(band)= -0.234184 trlgG= -0.295285 logG= -0.058802 TDE= -0.343066 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036190 ETOT(band)= -0.038133 trlgG= -0.047261 logG= -0.008615 TDE= -0.056554 logGD-logG0= -0.010558 tlogG= -0.047911 logG= -0.058469 Density= 0.215729 ETOT(band)= -0.233802 trlgG= -0.294756 logG= -0.058469 TDE= -0.343041 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009760 tlogG= -0.047243 logG= -0.057003 Density= 0.214435 ETOT(band)= -0.233577 trlgG= -0.292802 logG= -0.057003 TDE= -0.341912 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010062 tlogG= -0.047171 logG= -0.057233 Density= 0.215111 ETOT(band)= -0.233389 trlgG= -0.292726 logG= -0.057233 TDE= -0.341941 logGD-logG0= -0.002458 tlogG= -0.010845 logG= -0.013303 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054053 ETOT(band)= -0.057600 trlgG= -0.071560 logG= -0.013303 TDE= -0.085005 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001429 tlogG= -0.007968 logG= -0.009397 Density= 0.070851 ETOT(band)= -0.077967 trlgG= -0.097482 logG= -0.009397 TDE= -0.056967 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004934 tlogG= -0.022301 logG= -0.027235 Density= 0.214218 ETOT(band)= -0.232490 trlgG= -0.289529 logG= -0.027235 TDE= -0.170183 logGD-logG0= -0.004904 tlogG= -0.022481 logG= -0.027385 Density= 0.214982 ETOT(band)= -0.231712 trlgG= -0.288131 logG= -0.027385 TDE= -0.170196 logGD-logG0= -0.004978 tlogG= -0.021885 logG= -0.026863 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108305 ETOT(band)= -0.115266 trlgG= -0.143543 logG= -0.026863 TDE= -0.170274 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004810 tlogG= -0.020999 logG= -0.025809 Density= 0.108692 ETOT(band)= -0.114311 trlgG= -0.141705 logG= -0.025809 TDE= -0.169682 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004891 tlogG= -0.021574 logG= -0.026466 Density= 0.108495 ETOT(band)= -0.114899 trlgG= -0.142862 logG= -0.026466 TDE= -0.170085 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004999 tlogG= -0.021704 logG= -0.026703 Density= 0.107912 ETOT(band)= -0.115363 trlgG= -0.143295 logG= -0.026703 TDE= -0.169992 logGD-logG0= -0.009993 tlogG= -0.043408 logG= -0.053401 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216239 ETOT(band)= -0.230514 trlgG= -0.286565 logG= -0.053401 TDE= -0.340170 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005278 tlogG= -0.024097 logG= -0.029375 Density= 0.107868 ETOT(band)= -0.116997 trlgG= -0.147616 logG= -0.029375 TDE= -0.171618 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005750 logG= -0.007005 Density= 0.080621 ETOT(band)= -0.087415 trlgG= -0.109643 logG= -0.007005 TDE= -0.042751 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004565 tlogG= -0.023980 logG= -0.028545 Density= 0.212762 ETOT(band)= -0.234323 trlgG= -0.293575 logG= -0.028545 TDE= -0.170846 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.022978 logG= -0.028143 Density= 0.216187 ETOT(band)= -0.232128 trlgG= -0.290673 logG= -0.028143 TDE= -0.170918 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.023966 logG= -0.029030 Density= 0.214298 ETOT(band)= -0.234143 trlgG= -0.294000 logG= -0.029030 TDE= -0.171079 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023254 logG= -0.028022 Density= 0.213454 ETOT(band)= -0.233665 trlgG= -0.292312 logG= -0.028022 TDE= -0.170760 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023203 logG= -0.028359 Density= 0.214827 ETOT(band)= -0.233002 trlgG= -0.291307 logG= -0.028359 TDE= -0.170635 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.023364 logG= -0.028785 Density= 0.215067 ETOT(band)= -0.233400 trlgG= -0.292801 logG= -0.028785 TDE= -0.170979 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023425 logG= -0.028617 Density= 0.216160 ETOT(band)= -0.232702 trlgG= -0.292289 logG= -0.028617 TDE= -0.171205 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005942 logG= -0.007215 Density= 0.080817 ETOT(band)= -0.087665 trlgG= -0.110396 logG= -0.007215 TDE= -0.042870 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005858 logG= -0.007127 Density= 0.080633 ETOT(band)= -0.087630 trlgG= -0.110198 logG= -0.007127 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005622 logG= -0.006855 Density= 0.080822 ETOT(band)= -0.086986 trlgG= -0.108640 logG= -0.006855 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005986 logG= -0.007258 Density= 0.081047 ETOT(band)= -0.087567 trlgG= -0.110448 logG= -0.007258 TDE= -0.042900 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.024012 logG= -0.029220 logGD-logG0= -0.005243 tlogG= -0.023810 logG= -0.029052 Density= 0.215294 ETOT(band)= -0.233809 trlgG= -0.294255 logG= -0.029052 TDE= -0.171442 Density= 0.215647 ETOT(band)= -0.233902 trlgG= -0.294911 logG= -0.029220 TDE= -0.171594 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.024010 logG= -0.029182 logGD-logG0= -0.005238 tlogG= -0.023492 logG= -0.028729 Density= 0.215175 ETOT(band)= -0.233374 trlgG= -0.292992 logG= -0.028729 TDE= -0.171185 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216318 ETOT(band)= -0.233383 trlgG= -0.294433 logG= -0.029182 TDE= -0.171612 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.024015 logG= -0.028773 Density= 0.321503 ETOT(band)= -0.351181 trlgG= -0.441469 logG= -0.028773 TDE= -0.171241 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023854 logG= -0.028915 Density= 0.215456 ETOT(band)= -0.233804 trlgG= -0.294360 logG= -0.028915 TDE= -0.171130 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.022449 logG= -0.027552 Density= 0.216332 ETOT(band)= -0.231330 trlgG= -0.288687 logG= -0.027552 TDE= -0.170583 logGD-logG0= -0.001577 tlogG= -0.006877 logG= -0.008454 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040841 ETOT(band)= -0.042681 trlgG= -0.052813 logG= -0.008454 TDE= -0.056468 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010374 tlogG= -0.047807 logG= -0.058181 logGD-logG0= -0.004669 tlogG= -0.023377 logG= -0.028046 Density= 0.321572 ETOT(band)= -0.350133 trlgG= -0.438892 logG= -0.028046 TDE= -0.170916 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324294 ETOT(band)= -0.349980 trlgG= -0.441148 logG= -0.058181 TDE= -0.343063 logGD-logG0= -0.005030 tlogG= -0.024171 logG= -0.029201 logGD-logG0= -0.004904 tlogG= -0.023890 logG= -0.028795 logGD-logG0= -0.010148 tlogG= -0.045648 logG= -0.055795 Density= 0.323986 ETOT(band)= -0.348014 trlgG= -0.435095 logG= -0.055795 TDE= -0.341490 Density= 0.213744 ETOT(band)= -0.234059 trlgG= -0.293093 logG= -0.028795 TDE= -0.170808 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322380 ETOT(band)= -0.351292 trlgG= -0.442148 logG= -0.029201 TDE= -0.171247 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010421 tlogG= -0.047256 logG= -0.057677 Density= 0.324075 ETOT(band)= -0.349613 trlgG= -0.439800 logG= -0.057677 TDE= -0.342671 logGD-logG0= -0.005350 tlogG= -0.023908 logG= -0.029259 Density= 0.215607 ETOT(band)= -0.233805 trlgG= -0.294638 logG= -0.029259 TDE= -0.171450 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023772 logG= -0.028958 Density= 0.216241 ETOT(band)= -0.233081 trlgG= -0.293496 logG= -0.028958 TDE= -0.171444 logGD-logG0= -0.005004 tlogG= -0.024166 logG= -0.029170 Density= 0.214700 ETOT(band)= -0.234215 trlgG= -0.294615 logG= -0.029170 TDE= -0.171252 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010661 tlogG= -0.048060 logG= -0.058720 logGD-logG0= -0.001183 tlogG= -0.005174 logG= -0.006356 Density= 0.062528 ETOT(band)= -0.067559 trlgG= -0.084233 logG= -0.006356 TDE= -0.042364 Density= 0.323188 ETOT(band)= -0.351054 trlgG= -0.442495 logG= -0.058720 TDE= -0.343056 logGD-logG0= -0.010418 tlogG= -0.046435 logG= -0.056853 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323939 ETOT(band)= -0.348958 trlgG= -0.437715 logG= -0.056853 TDE= -0.342114 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004476 tlogG= -0.023594 logG= -0.028070 Density= 0.212572 ETOT(band)= -0.234046 trlgG= -0.292827 logG= -0.028070 TDE= -0.170709 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.024016 logG= -0.028741 Density= 0.214078 ETOT(band)= -0.234135 trlgG= -0.294217 logG= -0.028741 TDE= -0.171246 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.024093 logG= -0.029328 Density= 0.323002 ETOT(band)= -0.351263 trlgG= -0.442798 logG= -0.029328 TDE= -0.171440 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.023253 logG= -0.028269 logGD-logG0= -0.005335 tlogG= -0.023968 logG= -0.029303 Density= 0.321640 ETOT(band)= -0.350639 trlgG= -0.439744 logG= -0.028269 TDE= -0.170871 Density= 0.323603 ETOT(band)= -0.350726 trlgG= -0.442238 logG= -0.029303 TDE= -0.171499 logGD-logG0= -0.004821 tlogG= -0.023845 logG= -0.028666 Density= 0.213529 ETOT(band)= -0.234198 trlgG= -0.293829 logG= -0.028666 TDE= -0.171064 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009654 tlogG= -0.046623 logG= -0.056278 Density= 0.322644 ETOT(band)= -0.349085 trlgG= -0.436530 logG= -0.056278 TDE= -0.341641 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023967 logG= -0.029132 Density= 0.216352 ETOT(band)= -0.233279 trlgG= -0.294200 logG= -0.029132 TDE= -0.171585 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023380 logG= -0.028017 Density= 0.214140 ETOT(band)= -0.233422 trlgG= -0.292423 logG= -0.028017 TDE= -0.170924 logGD-logG0= -0.005398 tlogG= -0.023694 logG= -0.029093 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215368 ETOT(band)= -0.233657 trlgG= -0.293941 logG= -0.029093 TDE= -0.171273 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010115 tlogG= -0.048167 logG= -0.058282 Density= 0.429218 ETOT(band)= -0.468363 trlgG= -0.588790 logG= -0.058282 TDE= -0.342343 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008933 tlogG= -0.048112 logG= -0.057044 Density= 0.425441 ETOT(band)= -0.468445 trlgG= -0.586636 logG= -0.057044 TDE= -0.341807 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.047858 logG= -0.057470 Density= 0.427951 ETOT(band)= -0.468254 trlgG= -0.588020 logG= -0.057470 TDE= -0.342297 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047686 logG= -0.057913 Density= 0.428206 ETOT(band)= -0.468236 trlgG= -0.587352 logG= -0.057913 TDE= -0.341938 logGD-logG0= -0.010727 tlogG= -0.047714 logG= -0.058441 Density= 0.431014 ETOT(band)= -0.467560 trlgG= -0.588875 logG= -0.058441 TDE= -0.342809 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009474 tlogG= -0.046625 logG= -0.056100 logGD-logG0= -0.010459 tlogG= -0.048089 logG= -0.058548 Density= 0.430062 ETOT(band)= -0.468196 trlgG= -0.589231 logG= -0.058548 TDE= -0.342686 Density= 0.428010 ETOT(band)= -0.466951 trlgG= -0.584626 logG= -0.056100 TDE= -0.341666 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010248 tlogG= -0.048240 logG= -0.058488 Density= 0.429956 ETOT(band)= -0.468366 trlgG= -0.589560 logG= -0.058488 TDE= -0.342560 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010627 tlogG= -0.047748 logG= -0.058374 Density= 0.430671 ETOT(band)= -0.467618 trlgG= -0.588516 logG= -0.058374 TDE= -0.342703 logGD-logG0= -0.009788 tlogG= -0.047872 logG= -0.057659 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429052 ETOT(band)= -0.468028 trlgG= -0.587990 logG= -0.057659 TDE= -0.342284 logGD-logG0= -0.010284 tlogG= -0.047975 logG= -0.058259 Density= 0.429121 ETOT(band)= -0.468325 trlgG= -0.588438 logG= -0.058259 TDE= -0.342185 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.021311 logG= -0.026203 logGD-logG0= -0.009624 tlogG= -0.047666 logG= -0.057290 Density= 0.426582 ETOT(band)= -0.468470 trlgG= -0.587156 logG= -0.057290 TDE= -0.341828 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162621 ETOT(band)= -0.173019 trlgG= -0.215979 logG= -0.026203 TDE= -0.169898 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010287 tlogG= -0.046949 logG= -0.057236 logGD-logG0= -0.009578 tlogG= -0.047785 logG= -0.057363 Density= 0.429798 ETOT(band)= -0.466569 trlgG= -0.584393 logG= -0.057236 TDE= -0.341654 Density= 0.427087 ETOT(band)= -0.468018 trlgG= -0.586007 logG= -0.057363 TDE= -0.341530 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009903 tlogG= -0.046419 logG= -0.056322 Density= 0.429448 ETOT(band)= -0.465655 trlgG= -0.581691 logG= -0.056322 TDE= -0.341362 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010651 tlogG= -0.048039 logG= -0.058690 Density= 0.431254 ETOT(band)= -0.467842 trlgG= -0.589868 logG= -0.058690 TDE= -0.343074 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009969 tlogG= -0.047578 logG= -0.057546 logGD-logG0= -0.010686 tlogG= -0.047286 logG= -0.057973 Density= 0.428523 ETOT(band)= -0.467581 trlgG= -0.586390 logG= -0.057546 TDE= -0.341982 Density= 0.430401 ETOT(band)= -0.467194 trlgG= -0.587045 logG= -0.057973 TDE= -0.342318 logGD-logG0= -0.001201 tlogG= -0.005310 logG= -0.006511 Density= 0.081545 ETOT(band)= -0.085703 trlgG= -0.106241 logG= -0.006511 TDE= -0.042465 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010212 tlogG= -0.047588 logG= -0.057800 Density= 0.429928 ETOT(band)= -0.467216 trlgG= -0.586323 logG= -0.057800 TDE= -0.342099 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009423 tlogG= -0.046729 logG= -0.056151 Density= 0.427805 ETOT(band)= -0.466229 trlgG= -0.582019 logG= -0.056151 TDE= -0.341250 logGD-logG0= -0.004821 tlogG= -0.022336 logG= -0.027157 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322812 ETOT(band)= -0.348053 trlgG= -0.434140 logG= -0.027157 TDE= -0.170264 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009939 tlogG= -0.044640 logG= -0.054579 Density= 0.324229 ETOT(band)= -0.346744 trlgG= -0.432083 logG= -0.054579 TDE= -0.340812 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005470 logG= -0.006691 Density= 0.081186 ETOT(band)= -0.086372 trlgG= -0.107401 logG= -0.006691 TDE= -0.042577 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001688 tlogG= -0.007120 logG= -0.008808 Density= 0.072217 ETOT(band)= -0.076495 trlgG= -0.094869 logG= -0.008808 TDE= -0.056629 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004780 tlogG= -0.022336 logG= -0.027116 Density= 0.214987 ETOT(band)= -0.232001 trlgG= -0.289175 logG= -0.027116 TDE= -0.170269 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021361 logG= -0.026336 Density= 0.216984 ETOT(band)= -0.229223 trlgG= -0.284364 logG= -0.026336 TDE= -0.169911 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005065 tlogG= -0.021890 logG= -0.026954 Density= 0.216590 ETOT(band)= -0.230331 trlgG= -0.286569 logG= -0.026954 TDE= -0.170243 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005302 tlogG= -0.024132 logG= -0.029435 Density= 0.215680 ETOT(band)= -0.234058 trlgG= -0.295326 logG= -0.029435 TDE= -0.171627 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009788 tlogG= -0.044643 logG= -0.054431 Density= 0.431529 ETOT(band)= -0.462176 trlgG= -0.574907 logG= -0.054431 TDE= -0.340447 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004934 tlogG= -0.021216 logG= -0.026149 Density= 0.216308 ETOT(band)= -0.230085 trlgG= -0.285622 logG= -0.026149 TDE= -0.169817 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.886552115846 eV TrLogG= -407.362056793238 eV Ratio to renormalize= 1.000221093080 rho-rho_expected=-0.004862972580 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964660513743022 0.940426662854693 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004537 tlogG= -0.024054 logG= -0.028591 Density= 0.106366 ETOT(band)= -0.117181 trlgG= -0.146839 logG= -0.028591 TDE= -0.170884 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023693 logG= -0.028971 Density= 0.107212 ETOT(band)= -0.117027 trlgG= -0.146889 logG= -0.028971 TDE= -0.170972 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.022885 logG= -0.027986 Density= 0.107597 ETOT(band)= -0.116321 trlgG= -0.145381 logG= -0.027986 TDE= -0.170639 logGD-logG0= -0.004896 tlogG= -0.023901 logG= -0.028797 Density= 0.106736 ETOT(band)= -0.117140 trlgG= -0.146951 logG= -0.028797 TDE= -0.170973 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.024079 logG= -0.028950 Density= 0.107036 ETOT(band)= -0.117121 trlgG= -0.147205 logG= -0.028950 TDE= -0.171221 logGD-logG0= -0.004699 tlogG= -0.023696 logG= -0.028395 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106955 ETOT(band)= -0.116868 trlgG= -0.146528 logG= -0.028395 TDE= -0.171060 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005292 tlogG= -0.023205 logG= -0.028498 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107664 ETOT(band)= -0.116569 trlgG= -0.146190 logG= -0.028498 TDE= -0.170970 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.022862 logG= -0.027592 Density= 0.107277 ETOT(band)= -0.116262 trlgG= -0.145095 logG= -0.027592 TDE= -0.170589 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004734 trlgG= -0.005854 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001402 tlogG= -0.008047 logG= -0.009449 Density= 0.035305 ETOT(band)= -0.039086 trlgG= -0.048986 logG= -0.009449 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004340 tlogG= -0.023983 logG= -0.028323 Density= 0.106146 ETOT(band)= -0.117149 trlgG= -0.146718 logG= -0.028323 TDE= -0.170921 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023214 logG= -0.027828 Density= 0.106715 ETOT(band)= -0.116648 trlgG= -0.145510 logG= -0.027828 TDE= -0.170490 logGD-logG0= -0.001483 tlogG= -0.007814 logG= -0.009297 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035485 ETOT(band)= -0.038934 trlgG= -0.048621 logG= -0.009297 TDE= -0.056884 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.022418 logG= -0.027420 Density= 0.107615 ETOT(band)= -0.115988 trlgG= -0.144484 logG= -0.027420 TDE= -0.170318 logGD-logG0= -0.002320 tlogG= -0.011888 logG= -0.014209 Density= 0.053551 ETOT(band)= -0.058414 trlgG= -0.073286 logG= -0.014209 TDE= -0.085577 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002598 tlogG= -0.012037 logG= -0.014634 Density= 0.053753 ETOT(band)= -0.058546 trlgG= -0.073705 logG= -0.014634 TDE= -0.085671 logGD-logG0= -0.002415 tlogG= -0.012087 logG= -0.014502 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053574 ETOT(band)= -0.058558 trlgG= -0.073648 logG= -0.014502 TDE= -0.085657 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002327 tlogG= -0.011453 logG= -0.013780 Density= 0.053727 ETOT(band)= -0.058083 trlgG= -0.072521 logG= -0.013780 TDE= -0.085328 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004313 tlogG= -0.024060 logG= -0.028373 logGD-logG0= -0.005024 tlogG= -0.022468 logG= -0.027492 Density= 0.108185 ETOT(band)= -0.115760 trlgG= -0.144604 logG= -0.027492 TDE= -0.170647 logGD-logG0= -0.004700 tlogG= -0.022998 logG= -0.027698 Density= 0.106851 ETOT(band)= -0.116517 trlgG= -0.145248 logG= -0.027698 TDE= -0.170425 Density= 0.106094 ETOT(band)= -0.117193 trlgG= -0.146831 logG= -0.028373 TDE= -0.170959 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023775 logG= -0.028913 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108161 ETOT(band)= -0.116564 trlgG= -0.146861 logG= -0.028913 TDE= -0.171472 logGD-logG0= -0.004726 tlogG= -0.023508 logG= -0.028234 Density= 0.106752 ETOT(band)= -0.116839 trlgG= -0.145993 logG= -0.028234 TDE= -0.170585 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006995 logG= -0.008615 Density= 0.036190 ETOT(band)= -0.038135 trlgG= -0.047262 logG= -0.008615 TDE= -0.056556 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001687 tlogG= -0.007307 logG= -0.008994 Density= 0.035837 ETOT(band)= -0.038584 trlgG= -0.047924 logG= -0.008994 TDE= -0.056664 logGD-logG0= -0.005270 tlogG= -0.024081 logG= -0.029350 Density= 0.107624 ETOT(band)= -0.117093 trlgG= -0.147556 logG= -0.029350 TDE= -0.171464 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002553 tlogG= -0.011989 logG= -0.014542 Density= 0.054129 ETOT(band)= -0.058307 trlgG= -0.073568 logG= -0.014542 TDE= -0.085811 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.022993 logG= -0.028085 logGD-logG0= -0.004941 tlogG= -0.022180 logG= -0.027122 Density= 0.108117 ETOT(band)= -0.116133 trlgG= -0.145551 logG= -0.028085 TDE= -0.170968 Density= 0.108341 ETOT(band)= -0.115453 trlgG= -0.143995 logG= -0.027122 TDE= -0.170486 logGD-logG0= -0.005134 tlogG= -0.023441 logG= -0.028575 Density= 0.108113 ETOT(band)= -0.116403 trlgG= -0.146326 logG= -0.028575 TDE= -0.171250 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023911 logG= -0.029213 logGD-logG0= -0.005125 tlogG= -0.023961 logG= -0.029087 Density= 0.108212 ETOT(band)= -0.116639 trlgG= -0.147140 logG= -0.029087 TDE= -0.171602 Density= 0.107733 ETOT(band)= -0.116959 trlgG= -0.147341 logG= -0.029213 TDE= -0.171439 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004984 tlogG= -0.024102 logG= -0.029086 Density= 0.107360 ETOT(band)= -0.117058 trlgG= -0.147178 logG= -0.029086 TDE= -0.171219 logGD-logG0= -0.004990 tlogG= -0.023651 logG= -0.028641 logGD-logG0= -0.004853 tlogG= -0.022859 logG= -0.027713 Density= 0.107729 ETOT(band)= -0.116117 trlgG= -0.144968 logG= -0.027713 TDE= -0.170565 Density= 0.106958 ETOT(band)= -0.116957 trlgG= -0.146339 logG= -0.028641 TDE= -0.170626 logGD-logG0= -0.005277 tlogG= -0.024098 logG= -0.029375 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107870 ETOT(band)= -0.117000 trlgG= -0.147620 logG= -0.029375 TDE= -0.171624 logGD-logG0= -0.005115 tlogG= -0.023616 logG= -0.028731 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023882 logG= -0.028995 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108186 ETOT(band)= -0.116449 trlgG= -0.146570 logG= -0.028731 TDE= -0.171375 logGD-logG0= -0.002622 tlogG= -0.011993 logG= -0.014615 Density= 0.108232 ETOT(band)= -0.116575 trlgG= -0.146991 logG= -0.028995 TDE= -0.171554 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.022745 logG= -0.027764 Density= 0.053974 ETOT(band)= -0.058429 trlgG= -0.073689 logG= -0.014615 TDE= -0.085783 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108231 ETOT(band)= -0.115896 trlgG= -0.145040 logG= -0.027764 TDE= -0.170833 logGD-logG0= -0.004671 tlogG= -0.023677 logG= -0.028348 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005220 tlogG= -0.023977 logG= -0.029196 Density= 0.107425 ETOT(band)= -0.117079 trlgG= -0.147283 logG= -0.029196 TDE= -0.171246 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106576 ETOT(band)= -0.116986 trlgG= -0.146425 logG= -0.028348 TDE= -0.170815 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023227 logG= -0.028311 Density= 0.108176 ETOT(band)= -0.116226 trlgG= -0.145907 logG= -0.028311 TDE= -0.171127 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.023698 logG= -0.028518 Density= 0.107359 ETOT(band)= -0.116748 trlgG= -0.146436 logG= -0.028518 TDE= -0.171045 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023881 logG= -0.029144 Density= 0.107898 ETOT(band)= -0.116826 trlgG= -0.147234 logG= -0.029144 TDE= -0.171483 logGD-logG0= -0.009765 tlogG= -0.048264 logG= -0.058028 Density= 0.214362 ETOT(band)= -0.234199 trlgG= -0.294484 logG= -0.058028 TDE= -0.342532 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023591 logG= -0.028891 Density= 0.107782 ETOT(band)= -0.116730 trlgG= -0.146819 logG= -0.028891 TDE= -0.171264 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010431 logG= -0.012827 Density= 0.054370 ETOT(band)= -0.057084 trlgG= -0.070715 logG= -0.012827 TDE= -0.084792 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009451 tlogG= -0.045780 logG= -0.055231 logGD-logG0= -0.005251 tlogG= -0.024070 logG= -0.029321 logGD-logG0= -0.005310 tlogG= -0.024145 logG= -0.029454 Density= 0.107929 ETOT(band)= -0.116933 trlgG= -0.147531 logG= -0.029321 TDE= -0.171618 Density= 0.214980 ETOT(band)= -0.232358 trlgG= -0.290090 logG= -0.055231 TDE= -0.341242 Density= 0.107793 ETOT(band)= -0.117088 trlgG= -0.147745 logG= -0.029454 TDE= -0.171632 logGD-logG0= -0.009730 tlogG= -0.045610 logG= -0.055341 Density= 0.214323 ETOT(band)= -0.232709 trlgG= -0.290270 logG= -0.055341 TDE= -0.340987 logGD-logG0= -0.009631 tlogG= -0.047179 logG= -0.056811 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213725 ETOT(band)= -0.233795 trlgG= -0.292910 logG= -0.056811 TDE= -0.341861 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009522 tlogG= -0.047948 logG= -0.057469 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213230 ETOT(band)= -0.234304 trlgG= -0.293626 logG= -0.057469 TDE= -0.341674 logGD-logG0= -0.009092 tlogG= -0.047648 logG= -0.056741 Density= 0.212882 ETOT(band)= -0.234096 trlgG= -0.292981 logG= -0.056741 TDE= -0.341585 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009911 tlogG= -0.047920 logG= -0.057831 logGD-logG0= -0.010442 tlogG= -0.048101 logG= -0.058543 logGD-logG0= -0.009795 tlogG= -0.047172 logG= -0.056966 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213929 ETOT(band)= -0.234239 trlgG= -0.294173 logG= -0.057831 TDE= -0.342205 logGD-logG0= -0.009404 tlogG= -0.047467 logG= -0.056871 Density= 0.214272 ETOT(band)= -0.233624 trlgG= -0.293039 logG= -0.056871 TDE= -0.342200 Density= 0.213737 ETOT(band)= -0.233839 trlgG= -0.292701 logG= -0.056966 TDE= -0.341502 Density= 0.215034 ETOT(band)= -0.234175 trlgG= -0.294830 logG= -0.058543 TDE= -0.342697 logGD-logG0= -0.010487 tlogG= -0.047767 logG= -0.058253 Density= 0.214720 ETOT(band)= -0.234122 trlgG= -0.294320 logG= -0.058253 TDE= -0.342321 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010290 tlogG= -0.047999 logG= -0.058289 Density= 0.215037 ETOT(band)= -0.234030 trlgG= -0.294414 logG= -0.058289 TDE= -0.342535 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010034 tlogG= -0.048049 logG= -0.058083 Density= 0.214493 ETOT(band)= -0.234146 trlgG= -0.294232 logG= -0.058083 TDE= -0.342291 logGD-logG0= -0.010152 tlogG= -0.047679 logG= -0.057831 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213910 ETOT(band)= -0.234226 trlgG= -0.293925 logG= -0.057831 TDE= -0.341947 logGD-logG0= -0.010351 tlogG= -0.047807 logG= -0.058158 Density= 0.214618 ETOT(band)= -0.234116 trlgG= -0.294151 logG= -0.058158 TDE= -0.342197 logGD-logG0= -0.010501 tlogG= -0.047964 logG= -0.058465 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215862 ETOT(band)= -0.233736 trlgG= -0.294762 logG= -0.058465 TDE= -0.343116 logGD-logG0= -0.010523 tlogG= -0.048035 logG= -0.058558 Density= 0.215071 ETOT(band)= -0.234166 trlgG= -0.294857 logG= -0.058558 TDE= -0.342727 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002457 tlogG= -0.010846 logG= -0.013303 logGD-logG0= -0.010575 tlogG= -0.047552 logG= -0.058127 logGD-logG0= -0.010380 tlogG= -0.047327 logG= -0.057707 Density= 0.214223 ETOT(band)= -0.234017 trlgG= -0.293402 logG= -0.057707 TDE= -0.341703 Density= 0.054054 ETOT(band)= -0.057602 trlgG= -0.071562 logG= -0.013303 TDE= -0.085008 Density= 0.215666 ETOT(band)= -0.233620 trlgG= -0.294200 logG= -0.058127 TDE= -0.342795 logGD-logG0= -0.010545 tlogG= -0.047441 logG= -0.057986 logGD-logG0= -0.010587 tlogG= -0.046899 logG= -0.057486 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215432 ETOT(band)= -0.233661 trlgG= -0.293960 logG= -0.057986 TDE= -0.342581 Density= 0.215394 ETOT(band)= -0.233384 trlgG= -0.293160 logG= -0.057486 TDE= -0.342261 logGD-logG0= -0.004809 tlogG= -0.021000 logG= -0.025809 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108694 ETOT(band)= -0.114314 trlgG= -0.141709 logG= -0.025809 TDE= -0.169687 logGD-logG0= -0.010635 tlogG= -0.048165 logG= -0.058801 Density= 0.215388 ETOT(band)= -0.234191 trlgG= -0.295294 logG= -0.058801 TDE= -0.343077 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010148 tlogG= -0.046432 logG= -0.056580 logGD-logG0= -0.010556 tlogG= -0.047913 logG= -0.058469 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215179 ETOT(band)= -0.232995 trlgG= -0.291717 logG= -0.056580 TDE= -0.341618 Density= 0.215733 ETOT(band)= -0.233809 trlgG= -0.294764 logG= -0.058469 TDE= -0.343051 logGD-logG0= -0.004998 tlogG= -0.021704 logG= -0.026703 logGD-logG0= -0.009759 tlogG= -0.047244 logG= -0.057003 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214438 ETOT(band)= -0.233585 trlgG= -0.292811 logG= -0.057003 TDE= -0.341923 Density= 0.107913 ETOT(band)= -0.115367 trlgG= -0.143299 logG= -0.026703 TDE= -0.169997 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010060 tlogG= -0.047172 logG= -0.057232 Density= 0.215114 ETOT(band)= -0.233396 trlgG= -0.292735 logG= -0.057232 TDE= -0.341952 logGD-logG0= -0.009835 tlogG= -0.045669 logG= -0.055504 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215112 ETOT(band)= -0.232433 trlgG= -0.290082 logG= -0.055504 TDE= -0.341026 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.021828 logG= -0.026885 Density= 0.107770 ETOT(band)= -0.115560 trlgG= -0.143609 logG= -0.026885 TDE= -0.170054 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.021886 logG= -0.026862 Density= 0.108306 ETOT(band)= -0.115269 trlgG= -0.143546 logG= -0.026862 TDE= -0.170279 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009991 tlogG= -0.043409 logG= -0.053400 Density= 0.216242 ETOT(band)= -0.230522 trlgG= -0.286573 logG= -0.053400 TDE= -0.340181 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021575 logG= -0.026465 Density= 0.108497 ETOT(band)= -0.114902 trlgG= -0.142866 logG= -0.026465 TDE= -0.170090 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.023967 logG= -0.029030 Density= 0.214301 ETOT(band)= -0.234151 trlgG= -0.294009 logG= -0.029030 TDE= -0.171084 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004564 tlogG= -0.023981 logG= -0.028545 Density= 0.212765 ETOT(band)= -0.234332 trlgG= -0.293585 logG= -0.028545 TDE= -0.170851 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.024017 logG= -0.028741 Density= 0.214081 ETOT(band)= -0.234143 trlgG= -0.294226 logG= -0.028741 TDE= -0.171251 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.023846 logG= -0.028666 Density= 0.213532 ETOT(band)= -0.234206 trlgG= -0.293839 logG= -0.028666 TDE= -0.171070 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005156 tlogG= -0.023203 logG= -0.028359 Density= 0.214830 ETOT(band)= -0.233009 trlgG= -0.291316 logG= -0.028359 TDE= -0.170641 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.023364 logG= -0.028785 Density= 0.215070 ETOT(band)= -0.233408 trlgG= -0.292810 logG= -0.028785 TDE= -0.170985 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004637 tlogG= -0.023381 logG= -0.028017 Density= 0.214143 ETOT(band)= -0.233430 trlgG= -0.292433 logG= -0.028017 TDE= -0.170929 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.022337 logG= -0.027116 Density= 0.214990 ETOT(band)= -0.232009 trlgG= -0.289184 logG= -0.027116 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001269 tlogG= -0.005858 logG= -0.007127 Density= 0.080634 ETOT(band)= -0.087633 trlgG= -0.110201 logG= -0.007127 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004420 tlogG= -0.023748 logG= -0.028169 Density= 0.213043 ETOT(band)= -0.233646 trlgG= -0.291861 logG= -0.028169 TDE= -0.170800 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001183 tlogG= -0.005174 logG= -0.006356 Density= 0.062529 ETOT(band)= -0.067561 trlgG= -0.084236 logG= -0.006356 TDE= -0.042365 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001576 tlogG= -0.006877 logG= -0.008454 Density= 0.040842 ETOT(band)= -0.042682 trlgG= -0.052814 logG= -0.008454 TDE= -0.056470 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004475 tlogG= -0.023595 logG= -0.028070 Density= 0.212574 ETOT(band)= -0.234055 trlgG= -0.292837 logG= -0.028070 TDE= -0.170715 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.022913 logG= -0.027868 Density= 0.214758 ETOT(band)= -0.232456 trlgG= -0.289785 logG= -0.027868 TDE= -0.170452 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.007591 logG= -0.009159 Density= 0.071484 ETOT(band)= -0.077366 trlgG= -0.096187 logG= -0.009159 TDE= -0.056744 logGD-logG0= -0.001429 tlogG= -0.007968 logG= -0.009397 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070852 ETOT(band)= -0.077970 trlgG= -0.097486 logG= -0.009397 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005750 logG= -0.007005 Density= 0.080622 ETOT(band)= -0.087418 trlgG= -0.109647 logG= -0.007005 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005942 logG= -0.007215 Density= 0.080818 ETOT(band)= -0.087667 trlgG= -0.110399 logG= -0.007215 TDE= -0.042872 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023968 logG= -0.029132 Density= 0.216356 ETOT(band)= -0.233286 trlgG= -0.294208 logG= -0.029132 TDE= -0.171590 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005622 logG= -0.006855 Density= 0.080824 ETOT(band)= -0.086988 trlgG= -0.108643 logG= -0.006855 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023695 logG= -0.029093 Density= 0.215372 ETOT(band)= -0.233664 trlgG= -0.293949 logG= -0.029093 TDE= -0.171278 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023898 logG= -0.028488 Density= 0.213239 ETOT(band)= -0.233921 trlgG= -0.292590 logG= -0.028488 TDE= -0.170803 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009421 tlogG= -0.046730 logG= -0.056151 Density= 0.427811 ETOT(band)= -0.466245 trlgG= -0.582038 logG= -0.056151 TDE= -0.341261 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024012 logG= -0.029220 Density= 0.215651 ETOT(band)= -0.233909 trlgG= -0.294919 logG= -0.029220 TDE= -0.171600 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009623 tlogG= -0.047667 logG= -0.057290 Density= 0.426588 ETOT(band)= -0.468486 trlgG= -0.587176 logG= -0.057290 TDE= -0.341839 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007120 logG= -0.008808 Density= 0.072219 ETOT(band)= -0.076497 trlgG= -0.094872 logG= -0.008808 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005986 logG= -0.007258 Density= 0.081048 ETOT(band)= -0.087569 trlgG= -0.110451 logG= -0.007258 TDE= -0.042902 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021312 logG= -0.026203 Density= 0.162624 ETOT(band)= -0.173024 trlgG= -0.215985 logG= -0.026203 TDE= -0.169903 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005241 tlogG= -0.023811 logG= -0.029052 Density= 0.215298 ETOT(band)= -0.233816 trlgG= -0.294264 logG= -0.029052 TDE= -0.171447 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.023492 logG= -0.028729 logGD-logG0= -0.005171 tlogG= -0.024011 logG= -0.029182 Density= 0.216322 ETOT(band)= -0.233390 trlgG= -0.294440 logG= -0.029182 TDE= -0.171617 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215178 ETOT(band)= -0.233382 trlgG= -0.293001 logG= -0.028729 TDE= -0.171190 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.024016 logG= -0.028773 Density= 0.321508 ETOT(band)= -0.351192 trlgG= -0.441482 logG= -0.028773 TDE= -0.171246 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004287 tlogG= -0.024140 logG= -0.028427 Density= 0.212125 ETOT(band)= -0.234437 trlgG= -0.293787 logG= -0.028427 TDE= -0.170998 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.023854 logG= -0.028915 Density= 0.215460 ETOT(band)= -0.233812 trlgG= -0.294369 logG= -0.028915 TDE= -0.171135 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.024133 logG= -0.029434 Density= 0.215684 ETOT(band)= -0.234065 trlgG= -0.295334 logG= -0.029434 TDE= -0.171632 logGD-logG0= -0.010372 tlogG= -0.047809 logG= -0.058180 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010146 tlogG= -0.045649 logG= -0.055795 Density= 0.323991 ETOT(band)= -0.348025 trlgG= -0.435107 logG= -0.055795 TDE= -0.341500 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324301 ETOT(band)= -0.349990 trlgG= -0.441159 logG= -0.058180 TDE= -0.343074 logGD-logG0= -0.005102 tlogG= -0.022450 logG= -0.027552 Density= 0.216335 ETOT(band)= -0.231337 trlgG= -0.288695 logG= -0.027552 TDE= -0.170588 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009902 tlogG= -0.046420 logG= -0.056322 Density= 0.429454 ETOT(band)= -0.465670 trlgG= -0.581709 logG= -0.056322 TDE= -0.341372 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.023891 logG= -0.028794 Density= 0.213747 ETOT(band)= -0.234067 trlgG= -0.293102 logG= -0.028794 TDE= -0.170814 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005029 tlogG= -0.024172 logG= -0.029201 Density= 0.322385 ETOT(band)= -0.351303 trlgG= -0.442160 logG= -0.029201 TDE= -0.171252 logGD-logG0= -0.010659 tlogG= -0.048061 logG= -0.058720 Density= 0.323194 ETOT(band)= -0.351065 trlgG= -0.442507 logG= -0.058720 TDE= -0.343067 logGD-logG0= -0.005163 tlogG= -0.022979 logG= -0.028142 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216190 ETOT(band)= -0.232135 trlgG= -0.290681 logG= -0.028142 TDE= -0.170923 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023773 logG= -0.028957 Density= 0.216245 ETOT(band)= -0.233088 trlgG= -0.293503 logG= -0.028957 TDE= -0.171449 logGD-logG0= -0.005003 tlogG= -0.024167 logG= -0.029170 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214704 ETOT(band)= -0.234222 trlgG= -0.294623 logG= -0.029170 TDE= -0.171257 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004669 tlogG= -0.023377 logG= -0.028046 Density= 0.321577 ETOT(band)= -0.350145 trlgG= -0.438905 logG= -0.028046 TDE= -0.170921 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023426 logG= -0.028617 logGD-logG0= -0.005014 tlogG= -0.023254 logG= -0.028268 Density= 0.216164 ETOT(band)= -0.232709 trlgG= -0.292297 logG= -0.028617 TDE= -0.171210 Density= 0.321645 ETOT(band)= -0.350650 trlgG= -0.439757 logG= -0.028268 TDE= -0.170877 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.023909 logG= -0.029258 Density= 0.215611 ETOT(band)= -0.233812 trlgG= -0.294646 logG= -0.029258 TDE= -0.171456 logGD-logG0= -0.009653 tlogG= -0.046624 logG= -0.056277 Density= 0.322649 ETOT(band)= -0.349096 trlgG= -0.436543 logG= -0.056277 TDE= -0.341652 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.023254 logG= -0.028022 Density= 0.213457 ETOT(band)= -0.233674 trlgG= -0.292322 logG= -0.028022 TDE= -0.170766 logGD-logG0= -0.010416 tlogG= -0.046437 logG= -0.056853 logGD-logG0= -0.010418 tlogG= -0.047258 logG= -0.057676 Density= 0.324082 ETOT(band)= -0.349624 trlgG= -0.439812 logG= -0.057676 TDE= -0.342682 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323944 ETOT(band)= -0.348968 trlgG= -0.437727 logG= -0.056853 TDE= -0.342125 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.024093 logG= -0.029327 Density= 0.323008 ETOT(band)= -0.351274 trlgG= -0.442811 logG= -0.029327 TDE= -0.171446 logGD-logG0= -0.001201 tlogG= -0.005310 logG= -0.006511 Density= 0.081546 ETOT(band)= -0.085706 trlgG= -0.106244 logG= -0.006511 TDE= -0.042467 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023969 logG= -0.029303 Density= 0.323609 ETOT(band)= -0.350736 trlgG= -0.442250 logG= -0.029303 TDE= -0.171504 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004933 tlogG= -0.022302 logG= -0.027235 Density= 0.214220 ETOT(band)= -0.232498 trlgG= -0.289539 logG= -0.027235 TDE= -0.170188 logGD-logG0= -0.008932 tlogG= -0.048113 logG= -0.057044 Density= 0.425446 ETOT(band)= -0.468463 trlgG= -0.586656 logG= -0.057044 TDE= -0.341819 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009473 tlogG= -0.046627 logG= -0.056100 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009610 tlogG= -0.047859 logG= -0.057470 Density= 0.427957 ETOT(band)= -0.468270 trlgG= -0.588038 logG= -0.057470 TDE= -0.342308 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428016 ETOT(band)= -0.466967 trlgG= -0.584645 logG= -0.056100 TDE= -0.341677 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010114 tlogG= -0.048168 logG= -0.058282 Density= 0.429225 ETOT(band)= -0.468378 trlgG= -0.588808 logG= -0.058282 TDE= -0.342354 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.047976 logG= -0.058259 Density= 0.429128 ETOT(band)= -0.468340 trlgG= -0.588456 logG= -0.058259 TDE= -0.342196 logGD-logG0= -0.009786 tlogG= -0.047873 logG= -0.057659 Density= 0.429059 ETOT(band)= -0.468043 trlgG= -0.588008 logG= -0.057659 TDE= -0.342294 logGD-logG0= -0.010457 tlogG= -0.048090 logG= -0.058547 Density= 0.430070 ETOT(band)= -0.468210 trlgG= -0.589249 logG= -0.058547 TDE= -0.342697 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004903 tlogG= -0.022482 logG= -0.027385 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214985 ETOT(band)= -0.231719 trlgG= -0.288140 logG= -0.027385 TDE= -0.170201 logGD-logG0= -0.010225 tlogG= -0.047687 logG= -0.057912 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428212 ETOT(band)= -0.468252 trlgG= -0.587370 logG= -0.057912 TDE= -0.341949 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010626 tlogG= -0.047748 logG= -0.058374 Density= 0.430679 ETOT(band)= -0.467632 trlgG= -0.588533 logG= -0.058374 TDE= -0.342713 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010724 tlogG= -0.047716 logG= -0.058440 logGD-logG0= -0.009577 tlogG= -0.047786 logG= -0.057363 Density= 0.431022 ETOT(band)= -0.467574 trlgG= -0.588891 logG= -0.058440 TDE= -0.342820 Density= 0.427093 ETOT(band)= -0.468035 trlgG= -0.586026 logG= -0.057363 TDE= -0.341541 logGD-logG0= -0.010247 tlogG= -0.048241 logG= -0.058488 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429963 ETOT(band)= -0.468381 trlgG= -0.589577 logG= -0.058488 TDE= -0.342571 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010648 tlogG= -0.048041 logG= -0.058689 logGD-logG0= -0.009967 tlogG= -0.047579 logG= -0.057546 Density= 0.428529 ETOT(band)= -0.467596 trlgG= -0.586408 logG= -0.057546 TDE= -0.341993 Density= 0.431263 ETOT(band)= -0.467856 trlgG= -0.589884 logG= -0.058689 TDE= -0.343085 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.046950 logG= -0.057236 Density= 0.429805 ETOT(band)= -0.466584 trlgG= -0.584410 logG= -0.057236 TDE= -0.341665 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.022337 logG= -0.027157 Density= 0.322816 ETOT(band)= -0.348064 trlgG= -0.434153 logG= -0.027157 TDE= -0.170269 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004933 tlogG= -0.021217 logG= -0.026149 logGD-logG0= -0.010685 tlogG= -0.047287 logG= -0.057972 Density= 0.430408 ETOT(band)= -0.467208 trlgG= -0.587061 logG= -0.057972 TDE= -0.342329 Density= 0.216311 ETOT(band)= -0.230092 trlgG= -0.285630 logG= -0.026149 TDE= -0.169823 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010210 tlogG= -0.047589 logG= -0.057799 Density= 0.429935 ETOT(band)= -0.467231 trlgG= -0.586340 logG= -0.057799 TDE= -0.342110 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005471 logG= -0.006691 Density= 0.081187 ETOT(band)= -0.086374 trlgG= -0.107404 logG= -0.006691 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009937 tlogG= -0.044641 logG= -0.054579 Density= 0.324234 ETOT(band)= -0.346755 trlgG= -0.432095 logG= -0.054579 TDE= -0.340822 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.021362 logG= -0.026336 Density= 0.216987 ETOT(band)= -0.229230 trlgG= -0.284371 logG= -0.026336 TDE= -0.169916 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009786 tlogG= -0.044645 logG= -0.054431 Density= 0.431536 ETOT(band)= -0.462191 trlgG= -0.574923 logG= -0.054431 TDE= -0.340458 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005064 tlogG= -0.021890 logG= -0.026954 Density= 0.216593 ETOT(band)= -0.230338 trlgG= -0.286577 logG= -0.026954 TDE= -0.170248 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.896998467273 eV TrLogG= -407.376520605884 eV Ratio to renormalize= 1.000205028918 rho-rho_expected=-0.004509711573 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 72) Finished k-point number 146 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964692886788388 0.940470270243316 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.035312 ETOT(band)= -0.039085 trlgG= -0.048973 logG= -0.009439 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007812 logG= -0.009287 Density= 0.035491 ETOT(band)= -0.038933 trlgG= -0.048608 logG= -0.009287 TDE= -0.056884 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024054 logG= -0.028343 Density= 0.106114 ETOT(band)= -0.117190 trlgG= -0.146791 logG= -0.028343 TDE= -0.170959 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007305 logG= -0.008984 Density= 0.035844 ETOT(band)= -0.038583 trlgG= -0.047910 logG= -0.008984 TDE= -0.056663 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001612 tlogG= -0.006993 logG= -0.008605 Density= 0.036197 ETOT(band)= -0.038133 trlgG= -0.047248 logG= -0.008605 TDE= -0.056556 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004787 tlogG= -0.020992 logG= -0.025779 Density= 0.108713 ETOT(band)= -0.114308 trlgG= -0.141668 logG= -0.025779 TDE= -0.169686 logGD-logG0= -0.004868 tlogG= -0.021567 logG= -0.026435 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108517 ETOT(band)= -0.114896 trlgG= -0.142825 logG= -0.026435 TDE= -0.170090 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005034 tlogG= -0.021821 logG= -0.026855 Density= 0.107790 ETOT(band)= -0.115554 trlgG= -0.143569 logG= -0.026855 TDE= -0.170053 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002404 tlogG= -0.012083 logG= -0.014487 Density= 0.053585 ETOT(band)= -0.058555 trlgG= -0.073627 logG= -0.014487 TDE= -0.085657 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002309 tlogG= -0.011885 logG= -0.014194 Density= 0.053562 ETOT(band)= -0.058411 trlgG= -0.073266 logG= -0.014194 TDE= -0.085577 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002541 tlogG= -0.011986 logG= -0.014527 Density= 0.054139 ETOT(band)= -0.058304 trlgG= -0.073547 logG= -0.014527 TDE= -0.085811 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002586 tlogG= -0.012033 logG= -0.014619 Density= 0.053764 ETOT(band)= -0.058543 trlgG= -0.073685 logG= -0.014619 TDE= -0.085671 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002316 tlogG= -0.011449 logG= -0.013765 Density= 0.053737 ETOT(band)= -0.058080 trlgG= -0.072501 logG= -0.013765 TDE= -0.085328 logGD-logG0= -0.002611 tlogG= -0.011989 logG= -0.014600 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053984 ETOT(band)= -0.058425 trlgG= -0.073668 logG= -0.014600 TDE= -0.085783 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.024074 logG= -0.029320 Density= 0.107645 ETOT(band)= -0.117086 trlgG= -0.147515 logG= -0.029320 TDE= -0.171464 logGD-logG0= -0.005111 tlogG= -0.023433 logG= -0.028545 logGD-logG0= -0.005002 tlogG= -0.022460 logG= -0.027462 Density= 0.108206 ETOT(band)= -0.115753 trlgG= -0.144563 logG= -0.027462 TDE= -0.170647 Density= 0.108134 ETOT(band)= -0.116396 trlgG= -0.146285 logG= -0.028545 TDE= -0.171250 logGD-logG0= -0.005103 tlogG= -0.023953 logG= -0.029056 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108232 ETOT(band)= -0.116632 trlgG= -0.147099 logG= -0.029056 TDE= -0.171601 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024048 logG= -0.028560 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.022986 logG= -0.028055 Density= 0.106386 ETOT(band)= -0.117176 trlgG= -0.146799 logG= -0.028560 TDE= -0.170884 Density= 0.108138 ETOT(band)= -0.116126 trlgG= -0.145510 logG= -0.028055 TDE= -0.170967 logGD-logG0= -0.005116 tlogG= -0.023767 logG= -0.028883 Density= 0.108181 ETOT(band)= -0.116558 trlgG= -0.146820 logG= -0.028883 TDE= -0.171471 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.023977 logG= -0.028293 logGD-logG0= -0.004919 tlogG= -0.022172 logG= -0.027092 Density= 0.106166 ETOT(band)= -0.117146 trlgG= -0.146678 logG= -0.028293 TDE= -0.170922 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108362 ETOT(band)= -0.115447 trlgG= -0.143955 logG= -0.027092 TDE= -0.170486 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022852 logG= -0.027683 Density= 0.107749 ETOT(band)= -0.116111 trlgG= -0.144927 logG= -0.027683 TDE= -0.170564 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023904 logG= -0.029183 logGD-logG0= -0.004589 tlogG= -0.023208 logG= -0.027797 Density= 0.106734 ETOT(band)= -0.116644 trlgG= -0.145470 logG= -0.027797 TDE= -0.170490 logGD-logG0= -0.004961 tlogG= -0.024095 logG= -0.029056 Density= 0.107381 ETOT(band)= -0.117052 trlgG= -0.147137 logG= -0.029056 TDE= -0.171218 logGD-logG0= -0.005063 tlogG= -0.023219 logG= -0.028281 Density= 0.107754 ETOT(band)= -0.116952 trlgG= -0.147300 logG= -0.029183 TDE= -0.171439 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023687 logG= -0.028940 Density= 0.107233 ETOT(band)= -0.117022 trlgG= -0.146848 logG= -0.028940 TDE= -0.170971 logGD-logG0= -0.004966 tlogG= -0.023645 logG= -0.028611 Density= 0.106978 ETOT(band)= -0.116951 trlgG= -0.146298 logG= -0.028611 TDE= -0.170625 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.024091 logG= -0.029345 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024137 logG= -0.029424 Density= 0.107814 ETOT(band)= -0.117081 trlgG= -0.147704 logG= -0.029424 TDE= -0.171632 logGD-logG0= -0.005090 tlogG= -0.023875 logG= -0.028965 Density= 0.108198 ETOT(band)= -0.116219 trlgG= -0.145866 logG= -0.028281 TDE= -0.171126 logGD-logG0= -0.004979 tlogG= -0.022411 logG= -0.027390 Density= 0.107636 ETOT(band)= -0.115983 trlgG= -0.144444 logG= -0.027390 TDE= -0.170318 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108253 ETOT(band)= -0.116568 trlgG= -0.146950 logG= -0.028965 TDE= -0.171554 logGD-logG0= -0.004676 tlogG= -0.022992 logG= -0.027668 Density= 0.106871 ETOT(band)= -0.116512 trlgG= -0.145208 logG= -0.027668 TDE= -0.170425 logGD-logG0= -0.005196 tlogG= -0.023970 logG= -0.029166 Density= 0.107446 ETOT(band)= -0.117073 trlgG= -0.147242 logG= -0.029166 TDE= -0.171246 Density= 0.107891 ETOT(band)= -0.116993 trlgG= -0.147578 logG= -0.029345 TDE= -0.171623 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.022737 logG= -0.027734 Density= 0.108252 ETOT(band)= -0.115890 trlgG= -0.144999 logG= -0.027734 TDE= -0.170833 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023691 logG= -0.028488 logGD-logG0= -0.005078 tlogG= -0.022878 logG= -0.027956 Density= 0.107380 ETOT(band)= -0.116742 trlgG= -0.146395 logG= -0.028488 TDE= -0.171044 Density= 0.107618 ETOT(band)= -0.116316 trlgG= -0.145340 logG= -0.027956 TDE= -0.170639 logGD-logG0= -0.005240 tlogG= -0.023874 logG= -0.029114 Density= 0.107919 ETOT(band)= -0.116820 trlgG= -0.147193 logG= -0.029114 TDE= -0.171483 logGD-logG0= -0.004872 tlogG= -0.023895 logG= -0.028766 Density= 0.106757 ETOT(band)= -0.117135 trlgG= -0.146910 logG= -0.028766 TDE= -0.170972 logGD-logG0= -0.009684 tlogG= -0.045597 logG= -0.055280 logGD-logG0= -0.004675 tlogG= -0.023689 logG= -0.028365 Density= 0.214363 ETOT(band)= -0.232699 trlgG= -0.290189 logG= -0.055280 TDE= -0.340986 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106976 ETOT(band)= -0.116863 trlgG= -0.146488 logG= -0.028365 TDE= -0.171060 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023608 logG= -0.028701 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023671 logG= -0.028318 Density= 0.108207 ETOT(band)= -0.116442 trlgG= -0.146529 logG= -0.028701 TDE= -0.171374 Density= 0.106596 ETOT(band)= -0.116982 trlgG= -0.146384 logG= -0.028318 TDE= -0.170815 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.023502 logG= -0.028204 Density= 0.106772 ETOT(band)= -0.116834 trlgG= -0.145953 logG= -0.028204 TDE= -0.170585 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023198 logG= -0.028468 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107685 ETOT(band)= -0.116563 trlgG= -0.146149 logG= -0.028468 TDE= -0.170970 logGD-logG0= -0.009044 tlogG= -0.047636 logG= -0.056680 Density= 0.212922 ETOT(band)= -0.234088 trlgG= -0.292900 logG= -0.056680 TDE= -0.341585 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.022855 logG= -0.027562 Density= 0.107297 ETOT(band)= -0.116257 trlgG= -0.145055 logG= -0.027562 TDE= -0.170589 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023583 logG= -0.028861 logGD-logG0= -0.004848 tlogG= -0.024072 logG= -0.028920 Density= 0.107803 ETOT(band)= -0.116724 trlgG= -0.146778 logG= -0.028861 TDE= -0.171264 Density= 0.107057 ETOT(band)= -0.117115 trlgG= -0.147164 logG= -0.028920 TDE= -0.171221 logGD-logG0= -0.009718 tlogG= -0.048250 logG= -0.057968 logGD-logG0= -0.009404 tlogG= -0.045766 logG= -0.055171 Density= 0.215020 ETOT(band)= -0.232347 trlgG= -0.290009 logG= -0.055171 TDE= -0.341242 Density= 0.214405 ETOT(band)= -0.234188 trlgG= -0.294401 logG= -0.057968 TDE= -0.342532 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010427 logG= -0.012812 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054380 ETOT(band)= -0.057081 trlgG= -0.070694 logG= -0.012812 TDE= -0.084792 logGD-logG0= -0.009864 tlogG= -0.047907 logG= -0.057770 Density= 0.213971 ETOT(band)= -0.234228 trlgG= -0.294091 logG= -0.057770 TDE= -0.342204 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009473 tlogG= -0.047936 logG= -0.057409 logGD-logG0= -0.010440 tlogG= -0.047753 logG= -0.058193 Density= 0.214762 ETOT(band)= -0.234110 trlgG= -0.294238 logG= -0.058193 TDE= -0.342320 logGD-logG0= -0.005229 tlogG= -0.024062 logG= -0.029291 logGD-logG0= -0.009584 tlogG= -0.047166 logG= -0.056750 Density= 0.213767 ETOT(band)= -0.233785 trlgG= -0.292828 logG= -0.056750 TDE= -0.341861 Density= 0.107950 ETOT(band)= -0.116926 trlgG= -0.147489 logG= -0.029291 TDE= -0.171618 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213272 ETOT(band)= -0.234295 trlgG= -0.293545 logG= -0.057409 TDE= -0.341674 logGD-logG0= -0.009357 tlogG= -0.047454 logG= -0.056810 logGD-logG0= -0.009746 tlogG= -0.047160 logG= -0.056906 Density= 0.213778 ETOT(band)= -0.233829 trlgG= -0.292620 logG= -0.056906 TDE= -0.341502 Density= 0.214313 ETOT(band)= -0.233613 trlgG= -0.292957 logG= -0.056810 TDE= -0.342200 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.047986 logG= -0.058229 logGD-logG0= -0.010394 tlogG= -0.048087 logG= -0.058482 Density= 0.215077 ETOT(band)= -0.234162 trlgG= -0.294747 logG= -0.058482 TDE= -0.342696 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215079 ETOT(band)= -0.234017 trlgG= -0.294331 logG= -0.058229 TDE= -0.342534 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.048021 logG= -0.058497 Density= 0.215114 ETOT(band)= -0.234153 trlgG= -0.294775 logG= -0.058497 TDE= -0.342727 logGD-logG0= -0.009789 tlogG= -0.045655 logG= -0.055444 Density= 0.215153 ETOT(band)= -0.232421 trlgG= -0.290001 logG= -0.055444 TDE= -0.341025 logGD-logG0= -0.010105 tlogG= -0.047666 logG= -0.057771 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213951 ETOT(band)= -0.234215 trlgG= -0.293843 logG= -0.057771 TDE= -0.341946 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009987 tlogG= -0.048035 logG= -0.058022 Density= 0.214536 ETOT(band)= -0.234134 trlgG= -0.294150 logG= -0.058022 TDE= -0.342291 logGD-logG0= -0.010304 tlogG= -0.047793 logG= -0.058097 Density= 0.214661 ETOT(band)= -0.234104 trlgG= -0.294069 logG= -0.058097 TDE= -0.342197 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010456 tlogG= -0.047949 logG= -0.058404 logGD-logG0= -0.004954 tlogG= -0.021878 logG= -0.026832 logGD-logG0= -0.010332 tlogG= -0.047314 logG= -0.057646 Density= 0.214265 ETOT(band)= -0.234006 trlgG= -0.293320 logG= -0.057646 TDE= -0.341702 Density= 0.215904 ETOT(band)= -0.233722 trlgG= -0.294680 logG= -0.058404 TDE= -0.343115 Density= 0.108326 ETOT(band)= -0.115263 trlgG= -0.143506 logG= -0.026832 TDE= -0.170279 logGD-logG0= -0.010530 tlogG= -0.047536 logG= -0.058066 Density= 0.215707 ETOT(band)= -0.233607 trlgG= -0.294118 logG= -0.058066 TDE= -0.342794 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.046418 logG= -0.056520 logGD-logG0= -0.010541 tlogG= -0.046885 logG= -0.057426 Density= 0.215436 ETOT(band)= -0.233372 trlgG= -0.293078 logG= -0.057426 TDE= -0.342260 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215220 ETOT(band)= -0.232983 trlgG= -0.291635 logG= -0.056520 TDE= -0.341617 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010842 logG= -0.013288 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071542 logG= -0.013288 TDE= -0.085007 logGD-logG0= -0.010589 tlogG= -0.048152 logG= -0.058740 logGD-logG0= -0.009712 tlogG= -0.047230 logG= -0.056942 Density= 0.215431 ETOT(band)= -0.234178 trlgG= -0.295211 logG= -0.058740 TDE= -0.343077 Density= 0.214480 ETOT(band)= -0.233573 trlgG= -0.292730 logG= -0.056942 TDE= -0.341923 logGD-logG0= -0.010498 tlogG= -0.047427 logG= -0.057926 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047897 logG= -0.058408 Density= 0.215776 ETOT(band)= -0.233795 trlgG= -0.294682 logG= -0.058408 TDE= -0.343051 Density= 0.215474 ETOT(band)= -0.233648 trlgG= -0.293878 logG= -0.057926 TDE= -0.342580 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.047158 logG= -0.057171 Density= 0.215156 ETOT(band)= -0.233384 trlgG= -0.292652 logG= -0.057171 TDE= -0.341951 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.043395 logG= -0.053340 Density= 0.216282 ETOT(band)= -0.230511 trlgG= -0.286492 logG= -0.053340 TDE= -0.340179 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021698 logG= -0.026672 Density= 0.107933 ETOT(band)= -0.115361 trlgG= -0.143259 logG= -0.026672 TDE= -0.169997 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009387 Density= 0.070865 ETOT(band)= -0.077968 trlgG= -0.097459 logG= -0.009387 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004263 tlogG= -0.024134 logG= -0.028397 Density= 0.212166 ETOT(band)= -0.234430 trlgG= -0.293707 logG= -0.028397 TDE= -0.170998 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005172 logG= -0.006349 Density= 0.062540 ETOT(band)= -0.067559 trlgG= -0.084212 logG= -0.006349 TDE= -0.042365 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001560 tlogG= -0.007589 logG= -0.009149 Density= 0.071497 ETOT(band)= -0.077363 trlgG= -0.096160 logG= -0.009149 TDE= -0.056744 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022476 logG= -0.027355 Density= 0.215024 ETOT(band)= -0.231709 trlgG= -0.288059 logG= -0.027355 TDE= -0.170201 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.021882 logG= -0.026924 Density= 0.216633 ETOT(band)= -0.230327 trlgG= -0.286496 logG= -0.026924 TDE= -0.170248 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004952 tlogG= -0.021354 logG= -0.026306 Density= 0.217027 ETOT(band)= -0.229218 trlgG= -0.284290 logG= -0.026306 TDE= -0.169916 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001680 tlogG= -0.007118 logG= -0.008798 Density= 0.072232 ETOT(band)= -0.076493 trlgG= -0.094845 logG= -0.008798 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001263 tlogG= -0.005856 logG= -0.007119 Density= 0.080650 ETOT(band)= -0.087628 trlgG= -0.110171 logG= -0.007119 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007251 Density= 0.081064 ETOT(band)= -0.087564 trlgG= -0.110420 logG= -0.007251 TDE= -0.042901 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005749 logG= -0.006997 Density= 0.080638 ETOT(band)= -0.087413 trlgG= -0.109616 logG= -0.006997 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005940 logG= -0.007207 Density= 0.080834 ETOT(band)= -0.087662 trlgG= -0.110368 logG= -0.007207 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005620 logG= -0.006848 Density= 0.080839 ETOT(band)= -0.086984 trlgG= -0.108613 logG= -0.006848 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024005 logG= -0.029190 Density= 0.215694 ETOT(band)= -0.233896 trlgG= -0.294836 logG= -0.029190 TDE= -0.171599 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023803 logG= -0.029022 Density= 0.215340 ETOT(band)= -0.233803 trlgG= -0.294181 logG= -0.029022 TDE= -0.171447 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.024003 logG= -0.029151 Density= 0.216363 ETOT(band)= -0.233376 trlgG= -0.294358 logG= -0.029151 TDE= -0.171617 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023485 logG= -0.028699 Density= 0.215220 ETOT(band)= -0.233369 trlgG= -0.292919 logG= -0.028699 TDE= -0.171190 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024126 logG= -0.029404 Density= 0.215727 ETOT(band)= -0.234051 trlgG= -0.295251 logG= -0.029404 TDE= -0.171632 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023848 logG= -0.028884 logGD-logG0= -0.004734 tlogG= -0.024009 logG= -0.028743 Density= 0.215503 ETOT(band)= -0.233798 trlgG= -0.294286 logG= -0.028884 TDE= -0.171135 Density= 0.321571 ETOT(band)= -0.351175 trlgG= -0.441359 logG= -0.028743 TDE= -0.171246 logGD-logG0= -0.004540 tlogG= -0.023975 logG= -0.028515 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.022442 logG= -0.027522 Density= 0.216377 ETOT(band)= -0.231325 trlgG= -0.288614 logG= -0.027522 TDE= -0.170588 logGD-logG0= -0.005039 tlogG= -0.023960 logG= -0.028999 Density= 0.214343 ETOT(band)= -0.234139 trlgG= -0.293927 logG= -0.028999 TDE= -0.171084 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024165 logG= -0.029170 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322449 ETOT(band)= -0.351284 trlgG= -0.442037 logG= -0.029170 TDE= -0.171252 Density= 0.212805 ETOT(band)= -0.234323 trlgG= -0.293504 logG= -0.028515 TDE= -0.170851 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023418 logG= -0.028587 logGD-logG0= -0.005141 tlogG= -0.022971 logG= -0.028112 Density= 0.216233 ETOT(band)= -0.232122 trlgG= -0.290599 logG= -0.028112 TDE= -0.170922 logGD-logG0= -0.004880 tlogG= -0.023885 logG= -0.028764 Density= 0.216206 ETOT(band)= -0.232695 trlgG= -0.292215 logG= -0.028587 TDE= -0.171210 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023589 logG= -0.028040 Density= 0.212614 ETOT(band)= -0.234047 trlgG= -0.292757 logG= -0.028040 TDE= -0.170715 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213789 ETOT(band)= -0.234056 trlgG= -0.293021 logG= -0.028764 TDE= -0.170814 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006875 logG= -0.008444 Density= 0.040850 ETOT(band)= -0.042680 trlgG= -0.052799 logG= -0.008444 TDE= -0.056470 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004396 tlogG= -0.023743 logG= -0.028138 logGD-logG0= -0.010613 tlogG= -0.048046 logG= -0.058659 logGD-logG0= -0.004645 tlogG= -0.023370 logG= -0.028016 logGD-logG0= -0.004980 tlogG= -0.024160 logG= -0.029139 Density= 0.214746 ETOT(band)= -0.234210 trlgG= -0.294541 logG= -0.029139 TDE= -0.171257 logGD-logG0= -0.010327 tlogG= -0.047793 logG= -0.058120 Density= 0.324363 ETOT(band)= -0.349970 trlgG= -0.441036 logG= -0.058120 TDE= -0.343073 Density= 0.323258 ETOT(band)= -0.351045 trlgG= -0.442383 logG= -0.058659 TDE= -0.343066 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010100 tlogG= -0.045635 logG= -0.055735 logGD-logG0= -0.005142 tlogG= -0.023960 logG= -0.029101 Density= 0.216397 ETOT(band)= -0.233272 trlgG= -0.294126 logG= -0.029101 TDE= -0.171590 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321639 ETOT(band)= -0.350128 trlgG= -0.438783 logG= -0.028016 TDE= -0.170921 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324054 ETOT(band)= -0.348006 trlgG= -0.434984 logG= -0.055735 TDE= -0.341499 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213083 ETOT(band)= -0.233638 trlgG= -0.291781 logG= -0.028138 TDE= -0.170800 logGD-logG0= -0.005210 tlogG= -0.024087 logG= -0.029297 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323073 ETOT(band)= -0.351253 trlgG= -0.442687 logG= -0.029297 TDE= -0.171445 logGD-logG0= -0.004991 tlogG= -0.023247 logG= -0.028238 Density= 0.321708 ETOT(band)= -0.350633 trlgG= -0.439634 logG= -0.028238 TDE= -0.170876 logGD-logG0= -0.009606 tlogG= -0.046611 logG= -0.056217 logGD-logG0= -0.010373 tlogG= -0.047242 logG= -0.057615 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322712 ETOT(band)= -0.349079 trlgG= -0.436421 logG= -0.056217 TDE= -0.341651 Density= 0.324144 ETOT(band)= -0.349604 trlgG= -0.439689 logG= -0.057615 TDE= -0.342681 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023839 logG= -0.028636 logGD-logG0= -0.010371 tlogG= -0.046421 logG= -0.056792 Density= 0.213573 ETOT(band)= -0.234196 trlgG= -0.293757 logG= -0.028636 TDE= -0.171070 Density= 0.324007 ETOT(band)= -0.348949 trlgG= -0.437603 logG= -0.056792 TDE= -0.342124 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023902 logG= -0.029228 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215653 ETOT(band)= -0.233798 trlgG= -0.294564 logG= -0.029228 TDE= -0.171455 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022908 logG= -0.027837 Density= 0.214799 ETOT(band)= -0.232445 trlgG= -0.289704 logG= -0.027837 TDE= -0.170452 logGD-logG0= -0.009373 tlogG= -0.046718 logG= -0.056091 logGD-logG0= -0.004566 tlogG= -0.023892 logG= -0.028458 Density= 0.213280 ETOT(band)= -0.233912 trlgG= -0.292509 logG= -0.028458 TDE= -0.170803 Density= 0.427891 ETOT(band)= -0.466226 trlgG= -0.581877 logG= -0.056091 TDE= -0.341261 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023961 logG= -0.029272 Density= 0.323672 ETOT(band)= -0.350716 trlgG= -0.442126 logG= -0.029272 TDE= -0.171504 logGD-logG0= -0.004869 tlogG= -0.021304 logG= -0.026173 Density= 0.162654 ETOT(band)= -0.173015 trlgG= -0.215924 logG= -0.026173 TDE= -0.169902 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004613 tlogG= -0.023374 logG= -0.027987 logGD-logG0= -0.005375 tlogG= -0.023688 logG= -0.029062 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004744 tlogG= -0.023247 logG= -0.027992 Density= 0.213497 ETOT(band)= -0.233664 trlgG= -0.292241 logG= -0.027992 TDE= -0.170765 Density= 0.215414 ETOT(band)= -0.233652 trlgG= -0.293867 logG= -0.029062 TDE= -0.171278 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214185 ETOT(band)= -0.233420 trlgG= -0.292351 logG= -0.027987 TDE= -0.170929 logGD-logG0= -0.005132 tlogG= -0.023197 logG= -0.028329 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214871 ETOT(band)= -0.232998 trlgG= -0.291234 logG= -0.028329 TDE= -0.170640 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023765 logG= -0.028927 Density= 0.216286 ETOT(band)= -0.233074 trlgG= -0.293421 logG= -0.028927 TDE= -0.171449 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009564 tlogG= -0.047845 logG= -0.057409 Density= 0.428041 ETOT(band)= -0.468248 trlgG= -0.587875 logG= -0.057409 TDE= -0.342307 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023357 logG= -0.028754 logGD-logG0= -0.010067 tlogG= -0.048154 logG= -0.058221 Density= 0.215112 ETOT(band)= -0.233396 trlgG= -0.292728 logG= -0.028754 TDE= -0.170984 Density= 0.429309 ETOT(band)= -0.468354 trlgG= -0.588643 logG= -0.058221 TDE= -0.342354 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010410 tlogG= -0.048076 logG= -0.058486 logGD-logG0= -0.010178 tlogG= -0.047674 logG= -0.057852 logGD-logG0= -0.010200 tlogG= -0.048227 logG= -0.058427 Density= 0.430049 ETOT(band)= -0.468355 trlgG= -0.589412 logG= -0.058427 TDE= -0.342571 Density= 0.428296 ETOT(band)= -0.468230 trlgG= -0.587206 logG= -0.057852 TDE= -0.341948 Density= 0.430155 ETOT(band)= -0.468185 trlgG= -0.589083 logG= -0.058486 TDE= -0.342696 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010235 tlogG= -0.047962 logG= -0.058198 logGD-logG0= -0.009574 tlogG= -0.047655 logG= -0.057229 Density= 0.426670 ETOT(band)= -0.468467 trlgG= -0.587013 logG= -0.057229 TDE= -0.341839 Density= 0.429213 ETOT(band)= -0.468316 trlgG= -0.588291 logG= -0.058198 TDE= -0.342195 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009739 tlogG= -0.047859 logG= -0.057598 Density= 0.429144 ETOT(band)= -0.468019 trlgG= -0.587843 logG= -0.057598 TDE= -0.342294 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010679 tlogG= -0.047700 logG= -0.058379 Density= 0.431105 ETOT(band)= -0.467548 trlgG= -0.588726 logG= -0.058379 TDE= -0.342819 logGD-logG0= -0.009528 tlogG= -0.047774 logG= -0.057302 logGD-logG0= -0.008883 tlogG= -0.048101 logG= -0.056984 Density= 0.425527 ETOT(band)= -0.468446 trlgG= -0.586495 logG= -0.056984 TDE= -0.341819 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427176 ETOT(band)= -0.468015 trlgG= -0.585863 logG= -0.057302 TDE= -0.341541 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009426 tlogG= -0.046613 logG= -0.056039 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428098 ETOT(band)= -0.466947 trlgG= -0.584482 logG= -0.056039 TDE= -0.341677 logGD-logG0= -0.010579 tlogG= -0.047734 logG= -0.058313 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430763 ETOT(band)= -0.467606 trlgG= -0.588368 logG= -0.058313 TDE= -0.342713 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009855 tlogG= -0.046406 logG= -0.056261 Density= 0.429536 ETOT(band)= -0.465648 trlgG= -0.581546 logG= -0.056261 TDE= -0.341372 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010239 tlogG= -0.046936 logG= -0.057175 Density= 0.429888 ETOT(band)= -0.466561 trlgG= -0.584246 logG= -0.057175 TDE= -0.341664 logGD-logG0= -0.009920 tlogG= -0.047565 logG= -0.057485 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428613 ETOT(band)= -0.467574 trlgG= -0.586244 logG= -0.057485 TDE= -0.341993 logGD-logG0= -0.010603 tlogG= -0.048025 logG= -0.058629 Density= 0.431347 ETOT(band)= -0.467829 trlgG= -0.589719 logG= -0.058629 TDE= -0.343084 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005308 logG= -0.006503 Density= 0.081561 ETOT(band)= -0.085701 trlgG= -0.106213 logG= -0.006503 TDE= -0.042466 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009891 tlogG= -0.044628 logG= -0.054519 logGD-logG0= -0.004701 tlogG= -0.024010 logG= -0.028711 Density= 0.324296 ETOT(band)= -0.346737 trlgG= -0.431973 logG= -0.054519 TDE= -0.340821 Density= 0.214123 ETOT(band)= -0.234132 trlgG= -0.294144 logG= -0.028711 TDE= -0.171251 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010638 tlogG= -0.047274 logG= -0.057911 Density= 0.430492 ETOT(band)= -0.467183 trlgG= -0.586897 logG= -0.057911 TDE= -0.342329 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.047576 logG= -0.057739 Density= 0.430019 ETOT(band)= -0.467207 trlgG= -0.586175 logG= -0.057739 TDE= -0.342109 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.022330 logG= -0.027127 Density= 0.322877 ETOT(band)= -0.348048 trlgG= -0.434032 logG= -0.027127 TDE= -0.170269 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001215 tlogG= -0.005469 logG= -0.006684 Density= 0.081202 ETOT(band)= -0.086370 trlgG= -0.107374 logG= -0.006684 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.022295 logG= -0.027205 Density= 0.214260 ETOT(band)= -0.232489 trlgG= -0.289459 logG= -0.027205 TDE= -0.170188 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004756 tlogG= -0.022330 logG= -0.027086 Density= 0.215030 ETOT(band)= -0.231998 trlgG= -0.289103 logG= -0.027086 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009739 tlogG= -0.044631 logG= -0.054370 Density= 0.431615 ETOT(band)= -0.462170 trlgG= -0.574762 logG= -0.054370 TDE= -0.340457 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.021209 logG= -0.026119 Density= 0.216350 ETOT(band)= -0.230081 trlgG= -0.285549 logG= -0.026119 TDE= -0.169822 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.880881978507 eV TrLogG= -407.291290591225 eV Ratio to renormalize= 1.000012178319 rho-rho_expected=-0.000267919764 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964688097757240 0.940458463849355 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004316 tlogG= -0.023977 logG= -0.028293 Density= 0.106166 ETOT(band)= -0.117145 trlgG= -0.146678 logG= -0.028293 TDE= -0.170921 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022992 logG= -0.027669 Density= 0.106870 ETOT(band)= -0.116512 trlgG= -0.145208 logG= -0.027669 TDE= -0.170424 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.023503 logG= -0.028205 Density= 0.106772 ETOT(band)= -0.116834 trlgG= -0.145953 logG= -0.028205 TDE= -0.170585 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010428 logG= -0.012813 Density= 0.054380 ETOT(band)= -0.057081 trlgG= -0.070695 logG= -0.012813 TDE= -0.084792 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001679 tlogG= -0.007306 logG= -0.008984 Density= 0.035844 ETOT(band)= -0.038583 trlgG= -0.047910 logG= -0.008984 TDE= -0.056663 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002316 tlogG= -0.011450 logG= -0.013765 Density= 0.053737 ETOT(band)= -0.058080 trlgG= -0.072501 logG= -0.013765 TDE= -0.085327 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002309 tlogG= -0.011885 logG= -0.014194 Density= 0.053562 ETOT(band)= -0.058411 trlgG= -0.073266 logG= -0.014194 TDE= -0.085577 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.021568 logG= -0.026436 Density= 0.108517 ETOT(band)= -0.114896 trlgG= -0.142826 logG= -0.026436 TDE= -0.170089 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004787 tlogG= -0.020993 logG= -0.025780 Density= 0.108713 ETOT(band)= -0.114308 trlgG= -0.141669 logG= -0.025780 TDE= -0.169686 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002404 tlogG= -0.012084 logG= -0.014488 Density= 0.053585 ETOT(band)= -0.058555 trlgG= -0.073628 logG= -0.014488 TDE= -0.085656 logGD-logG0= -0.002586 tlogG= -0.012034 logG= -0.014620 Density= 0.053764 ETOT(band)= -0.058543 trlgG= -0.073685 logG= -0.014620 TDE= -0.085670 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 logGD-logG0= -0.005254 tlogG= -0.023687 logG= -0.028941 logGD-logG0= -0.004966 tlogG= -0.023646 logG= -0.028612 Density= 0.106978 ETOT(band)= -0.116951 trlgG= -0.146298 logG= -0.028612 TDE= -0.170625 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.107232 ETOT(band)= -0.117022 trlgG= -0.146848 logG= -0.028941 TDE= -0.170971 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.022878 logG= -0.027956 Density= 0.107617 ETOT(band)= -0.116315 trlgG= -0.145340 logG= -0.027956 TDE= -0.170638 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.022737 logG= -0.027735 Density= 0.108251 ETOT(band)= -0.115889 trlgG= -0.144999 logG= -0.027735 TDE= -0.170832 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007812 logG= -0.009287 logGD-logG0= -0.004872 tlogG= -0.023895 logG= -0.028767 Density= 0.035491 ETOT(band)= -0.038933 trlgG= -0.048608 logG= -0.009287 TDE= -0.056884 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009440 Density= 0.035312 ETOT(band)= -0.039085 trlgG= -0.048973 logG= -0.009440 TDE= -0.057007 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106756 ETOT(band)= -0.117135 trlgG= -0.146911 logG= -0.028767 TDE= -0.170972 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.021698 logG= -0.026673 Density= 0.107932 ETOT(band)= -0.115361 trlgG= -0.143259 logG= -0.026673 TDE= -0.169996 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005002 tlogG= -0.022461 logG= -0.027463 Density= 0.108206 ETOT(band)= -0.115753 trlgG= -0.144563 logG= -0.027463 TDE= -0.170646 logGD-logG0= -0.005269 tlogG= -0.023199 logG= -0.028468 Density= 0.107685 ETOT(band)= -0.116563 trlgG= -0.146150 logG= -0.028468 TDE= -0.170969 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.023768 logG= -0.028884 Density= 0.108181 ETOT(band)= -0.116558 trlgG= -0.146821 logG= -0.028884 TDE= -0.171470 logGD-logG0= -0.002542 tlogG= -0.011986 logG= -0.014528 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054139 ETOT(band)= -0.058304 trlgG= -0.073547 logG= -0.014528 TDE= -0.085811 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.023434 logG= -0.028546 logGD-logG0= -0.004289 tlogG= -0.024054 logG= -0.028344 Density= 0.106114 ETOT(band)= -0.117189 trlgG= -0.146791 logG= -0.028344 TDE= -0.170958 Density= 0.108133 ETOT(band)= -0.116396 trlgG= -0.146285 logG= -0.028546 TDE= -0.171249 logGD-logG0= -0.005246 tlogG= -0.024074 logG= -0.029321 Density= 0.107645 ETOT(band)= -0.117086 trlgG= -0.147516 logG= -0.029321 TDE= -0.171463 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004513 tlogG= -0.024049 logG= -0.028561 Density= 0.106386 ETOT(band)= -0.117176 trlgG= -0.146799 logG= -0.028561 TDE= -0.170883 logGD-logG0= -0.005070 tlogG= -0.022986 logG= -0.028056 Density= 0.108138 ETOT(band)= -0.116126 trlgG= -0.145511 logG= -0.028056 TDE= -0.170966 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023208 logG= -0.027798 Density= 0.106734 ETOT(band)= -0.116643 trlgG= -0.145470 logG= -0.027798 TDE= -0.170489 logGD-logG0= -0.004961 tlogG= -0.024096 logG= -0.029057 logGD-logG0= -0.004920 tlogG= -0.022173 logG= -0.027093 Density= 0.107381 ETOT(band)= -0.117052 trlgG= -0.147137 logG= -0.029057 TDE= -0.171218 Density= 0.108362 ETOT(band)= -0.115447 trlgG= -0.143955 logG= -0.027093 TDE= -0.170485 logGD-logG0= -0.004797 tlogG= -0.023691 logG= -0.028489 Density= 0.107379 ETOT(band)= -0.116742 trlgG= -0.146396 logG= -0.028489 TDE= -0.171044 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.011990 logG= -0.014600 Density= 0.053984 ETOT(band)= -0.058425 trlgG= -0.073669 logG= -0.014600 TDE= -0.085782 logGD-logG0= -0.005103 tlogG= -0.023954 logG= -0.029057 Density= 0.108231 ETOT(band)= -0.116632 trlgG= -0.147099 logG= -0.029057 TDE= -0.171601 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023609 logG= -0.028702 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.023219 logG= -0.028282 logGD-logG0= -0.005090 tlogG= -0.023875 logG= -0.028966 logGD-logG0= -0.005255 tlogG= -0.024091 logG= -0.029346 Density= 0.108206 ETOT(band)= -0.116442 trlgG= -0.146530 logG= -0.028702 TDE= -0.171373 Density= 0.107890 ETOT(band)= -0.116993 trlgG= -0.147579 logG= -0.029346 TDE= -0.171623 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108197 ETOT(band)= -0.116219 trlgG= -0.145867 logG= -0.028282 TDE= -0.171125 Density= 0.108252 ETOT(band)= -0.116568 trlgG= -0.146950 logG= -0.028966 TDE= -0.171553 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.023905 logG= -0.029184 logGD-logG0= -0.005197 tlogG= -0.023970 logG= -0.029167 Density= 0.107445 ETOT(band)= -0.117073 trlgG= -0.147243 logG= -0.029167 TDE= -0.171245 Density= 0.107754 ETOT(band)= -0.116952 trlgG= -0.147300 logG= -0.029184 TDE= -0.171438 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.024137 logG= -0.029425 logGD-logG0= -0.004979 tlogG= -0.022412 logG= -0.027391 Density= 0.107814 ETOT(band)= -0.117081 trlgG= -0.147704 logG= -0.029425 TDE= -0.171631 Density= 0.107635 ETOT(band)= -0.115982 trlgG= -0.144444 logG= -0.027391 TDE= -0.170317 logGD-logG0= -0.004647 tlogG= -0.023671 logG= -0.028319 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106596 ETOT(band)= -0.116981 trlgG= -0.146384 logG= -0.028319 TDE= -0.170814 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.024072 logG= -0.028921 Density= 0.107057 ETOT(band)= -0.117115 trlgG= -0.147164 logG= -0.028921 TDE= -0.171220 logGD-logG0= -0.004676 tlogG= -0.023690 logG= -0.028366 logGD-logG0= -0.004831 tlogG= -0.022853 logG= -0.027684 Density= 0.106975 ETOT(band)= -0.116863 trlgG= -0.146488 logG= -0.028366 TDE= -0.171059 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107749 ETOT(band)= -0.116111 trlgG= -0.144928 logG= -0.027684 TDE= -0.170564 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023874 logG= -0.029115 Density= 0.107918 ETOT(band)= -0.116820 trlgG= -0.147194 logG= -0.029115 TDE= -0.171482 logGD-logG0= -0.004708 tlogG= -0.022855 logG= -0.027563 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107297 ETOT(band)= -0.116257 trlgG= -0.145055 logG= -0.027563 TDE= -0.170588 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009719 tlogG= -0.048251 logG= -0.057969 logGD-logG0= -0.009405 tlogG= -0.045767 logG= -0.055172 Density= 0.214404 ETOT(band)= -0.234187 trlgG= -0.294402 logG= -0.057969 TDE= -0.342531 Density= 0.215020 ETOT(band)= -0.232346 trlgG= -0.290010 logG= -0.055172 TDE= -0.341240 logGD-logG0= -0.005278 tlogG= -0.023584 logG= -0.028862 Density= 0.107802 ETOT(band)= -0.116724 trlgG= -0.146779 logG= -0.028862 TDE= -0.171263 logGD-logG0= -0.005229 tlogG= -0.024062 logG= -0.029292 logGD-logG0= -0.009685 tlogG= -0.045598 logG= -0.055282 Density= 0.214363 ETOT(band)= -0.232699 trlgG= -0.290190 logG= -0.055282 TDE= -0.340985 Density= 0.107950 ETOT(band)= -0.116926 trlgG= -0.147490 logG= -0.029292 TDE= -0.171617 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009044 tlogG= -0.047637 logG= -0.056682 Density= 0.212921 ETOT(band)= -0.234087 trlgG= -0.292900 logG= -0.056682 TDE= -0.341583 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009585 tlogG= -0.047167 logG= -0.056752 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213766 ETOT(band)= -0.233784 trlgG= -0.292829 logG= -0.056752 TDE= -0.341859 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009864 tlogG= -0.047908 logG= -0.057772 logGD-logG0= -0.009474 tlogG= -0.047937 logG= -0.057410 Density= 0.213970 ETOT(band)= -0.234227 trlgG= -0.294092 logG= -0.057772 TDE= -0.342203 logGD-logG0= -0.010395 tlogG= -0.048089 logG= -0.058484 Density= 0.215076 ETOT(band)= -0.234162 trlgG= -0.294749 logG= -0.058484 TDE= -0.342695 Density= 0.213271 ETOT(band)= -0.234294 trlgG= -0.293545 logG= -0.057410 TDE= -0.341672 logGD-logG0= -0.009357 tlogG= -0.047455 logG= -0.056812 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010440 tlogG= -0.047754 logG= -0.058194 Density= 0.214761 ETOT(band)= -0.234110 trlgG= -0.294239 logG= -0.058194 TDE= -0.342319 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214313 ETOT(band)= -0.233613 trlgG= -0.292957 logG= -0.056812 TDE= -0.342198 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.047161 logG= -0.056908 logGD-logG0= -0.009789 tlogG= -0.045657 logG= -0.055446 Density= 0.215152 ETOT(band)= -0.232421 trlgG= -0.290001 logG= -0.055446 TDE= -0.341024 logGD-logG0= -0.010305 tlogG= -0.047794 logG= -0.058099 Density= 0.213777 ETOT(band)= -0.233828 trlgG= -0.292621 logG= -0.056908 TDE= -0.341501 Density= 0.214660 ETOT(band)= -0.234104 trlgG= -0.294070 logG= -0.058099 TDE= -0.342195 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010476 tlogG= -0.048022 logG= -0.058499 Density= 0.215113 ETOT(band)= -0.234153 trlgG= -0.294776 logG= -0.058499 TDE= -0.342725 logGD-logG0= -0.010244 tlogG= -0.047987 logG= -0.058230 Density= 0.215078 ETOT(band)= -0.234017 trlgG= -0.294332 logG= -0.058230 TDE= -0.342533 logGD-logG0= -0.010105 tlogG= -0.047667 logG= -0.057772 logGD-logG0= -0.009988 tlogG= -0.048036 logG= -0.058024 Density= 0.214535 ETOT(band)= -0.234133 trlgG= -0.294151 logG= -0.058024 TDE= -0.342289 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213951 ETOT(band)= -0.234214 trlgG= -0.293844 logG= -0.057772 TDE= -0.341945 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010531 tlogG= -0.047537 logG= -0.058068 logGD-logG0= -0.001612 tlogG= -0.006993 logG= -0.008605 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215706 ETOT(band)= -0.233607 trlgG= -0.294119 logG= -0.058068 TDE= -0.342793 logGD-logG0= -0.010333 tlogG= -0.047315 logG= -0.057648 Density= 0.214264 ETOT(band)= -0.234006 trlgG= -0.293320 logG= -0.057648 TDE= -0.341701 logGD-logG0= -0.010456 tlogG= -0.047950 logG= -0.058406 Density= 0.215903 ETOT(band)= -0.233722 trlgG= -0.294681 logG= -0.058406 TDE= -0.343114 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036197 ETOT(band)= -0.038133 trlgG= -0.047249 logG= -0.008605 TDE= -0.056555 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.046419 logG= -0.056522 Density= 0.215220 ETOT(band)= -0.232982 trlgG= -0.291636 logG= -0.056522 TDE= -0.341616 logGD-logG0= -0.010541 tlogG= -0.046886 logG= -0.057427 logGD-logG0= -0.010499 tlogG= -0.047429 logG= -0.057928 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215435 ETOT(band)= -0.233372 trlgG= -0.293079 logG= -0.057427 TDE= -0.342259 Density= 0.215473 ETOT(band)= -0.233648 trlgG= -0.293879 logG= -0.057928 TDE= -0.342579 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010843 logG= -0.013288 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.048153 logG= -0.058742 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071542 logG= -0.013288 TDE= -0.085007 Density= 0.215430 ETOT(band)= -0.234177 trlgG= -0.295212 logG= -0.058742 TDE= -0.343075 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010511 tlogG= -0.047899 logG= -0.058410 logGD-logG0= -0.010014 tlogG= -0.047159 logG= -0.057173 Density= 0.215774 ETOT(band)= -0.233795 trlgG= -0.294683 logG= -0.058410 TDE= -0.343049 logGD-logG0= -0.009713 tlogG= -0.047232 logG= -0.056944 Density= 0.214479 ETOT(band)= -0.233573 trlgG= -0.292730 logG= -0.056944 TDE= -0.341921 Density= 0.215155 ETOT(band)= -0.233384 trlgG= -0.292653 logG= -0.057173 TDE= -0.341950 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.021878 logG= -0.026833 Density= 0.108326 ETOT(band)= -0.115263 trlgG= -0.143506 logG= -0.026833 TDE= -0.170278 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021821 logG= -0.026856 Density= 0.107789 ETOT(band)= -0.115554 trlgG= -0.143569 logG= -0.026856 TDE= -0.170052 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009945 tlogG= -0.043396 logG= -0.053342 Density= 0.216281 ETOT(band)= -0.230510 trlgG= -0.286493 logG= -0.053342 TDE= -0.340178 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004566 tlogG= -0.023893 logG= -0.028459 Density= 0.213279 ETOT(band)= -0.233911 trlgG= -0.292509 logG= -0.028459 TDE= -0.170802 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007589 logG= -0.009149 Density= 0.071497 ETOT(band)= -0.077363 trlgG= -0.096160 logG= -0.009149 TDE= -0.056744 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023589 logG= -0.028041 Density= 0.212613 ETOT(band)= -0.234046 trlgG= -0.292757 logG= -0.028041 TDE= -0.170714 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.022296 logG= -0.027206 Density= 0.214259 ETOT(band)= -0.232489 trlgG= -0.289459 logG= -0.027206 TDE= -0.170187 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005620 logG= -0.006848 Density= 0.080839 ETOT(band)= -0.086984 trlgG= -0.108613 logG= -0.006848 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005308 logG= -0.006504 Density= 0.081561 ETOT(band)= -0.085701 trlgG= -0.106214 logG= -0.006504 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005749 logG= -0.006997 Density= 0.080637 ETOT(band)= -0.087413 trlgG= -0.109616 logG= -0.006997 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.021883 logG= -0.026925 Density= 0.216632 ETOT(band)= -0.230327 trlgG= -0.286497 logG= -0.026925 TDE= -0.170247 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004952 tlogG= -0.021354 logG= -0.026306 Density= 0.217026 ETOT(band)= -0.229218 trlgG= -0.284292 logG= -0.026306 TDE= -0.169915 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001263 tlogG= -0.005856 logG= -0.007120 Density= 0.080650 ETOT(band)= -0.087628 trlgG= -0.110171 logG= -0.007120 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023960 logG= -0.029000 Density= 0.214342 ETOT(band)= -0.234139 trlgG= -0.293928 logG= -0.029000 TDE= -0.171083 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.021209 logG= -0.026120 Density= 0.216350 ETOT(band)= -0.230081 trlgG= -0.285551 logG= -0.026120 TDE= -0.169821 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.023885 logG= -0.028765 Density= 0.213788 ETOT(band)= -0.234056 trlgG= -0.293021 logG= -0.028765 TDE= -0.170813 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005940 logG= -0.007208 Density= 0.080834 ETOT(band)= -0.087662 trlgG= -0.110368 logG= -0.007208 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023840 logG= -0.028636 Density= 0.213573 ETOT(band)= -0.234195 trlgG= -0.293758 logG= -0.028636 TDE= -0.171069 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023197 logG= -0.028330 Density= 0.214871 ETOT(band)= -0.232998 trlgG= -0.291235 logG= -0.028330 TDE= -0.170640 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024005 logG= -0.029191 Density= 0.215692 ETOT(band)= -0.233896 trlgG= -0.294838 logG= -0.029191 TDE= -0.171599 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022972 logG= -0.028113 Density= 0.216232 ETOT(band)= -0.232122 trlgG= -0.290600 logG= -0.028113 TDE= -0.170922 logGD-logG0= -0.001266 tlogG= -0.005985 logG= -0.007251 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081063 ETOT(band)= -0.087564 trlgG= -0.110421 logG= -0.007251 TDE= -0.042901 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.023358 logG= -0.028755 Density= 0.215111 ETOT(band)= -0.233395 trlgG= -0.292729 logG= -0.028755 TDE= -0.170984 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023803 logG= -0.029022 Density= 0.215339 ETOT(band)= -0.233803 trlgG= -0.294182 logG= -0.029022 TDE= -0.171446 logGD-logG0= -0.001421 tlogG= -0.007966 logG= -0.009387 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070865 ETOT(band)= -0.077967 trlgG= -0.097459 logG= -0.009387 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004263 tlogG= -0.024134 logG= -0.028397 Density= 0.212165 ETOT(band)= -0.234428 trlgG= -0.293706 logG= -0.028397 TDE= -0.170997 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023486 logG= -0.028700 Density= 0.215219 ETOT(band)= -0.233369 trlgG= -0.292920 logG= -0.028700 TDE= -0.171189 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005172 logG= -0.006349 Density= 0.062540 ETOT(band)= -0.067559 trlgG= -0.084213 logG= -0.006349 TDE= -0.042365 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004396 tlogG= -0.023743 logG= -0.028139 Density= 0.213083 ETOT(band)= -0.233637 trlgG= -0.291781 logG= -0.028139 TDE= -0.170799 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.024126 logG= -0.029405 Density= 0.215725 ETOT(band)= -0.234051 trlgG= -0.295253 logG= -0.029405 TDE= -0.171631 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.024003 logG= -0.029152 Density= 0.216362 ETOT(band)= -0.233376 trlgG= -0.294359 logG= -0.029152 TDE= -0.171616 logGD-logG0= -0.001569 tlogG= -0.006875 logG= -0.008444 Density= 0.040849 ETOT(band)= -0.042680 trlgG= -0.052799 logG= -0.008444 TDE= -0.056469 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022908 logG= -0.027838 Density= 0.214798 ETOT(band)= -0.232445 trlgG= -0.289705 logG= -0.027838 TDE= -0.170452 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023848 logG= -0.028885 Density= 0.215502 ETOT(band)= -0.233798 trlgG= -0.294287 logG= -0.028885 TDE= -0.171134 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024009 logG= -0.028743 Density= 0.321570 ETOT(band)= -0.351174 trlgG= -0.441360 logG= -0.028743 TDE= -0.171245 logGD-logG0= -0.004646 tlogG= -0.023371 logG= -0.028016 logGD-logG0= -0.005006 tlogG= -0.024166 logG= -0.029171 Density= 0.322447 ETOT(band)= -0.351283 trlgG= -0.442038 logG= -0.029171 TDE= -0.171251 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010327 tlogG= -0.047794 logG= -0.058122 Density= 0.324361 ETOT(band)= -0.349970 trlgG= -0.441038 logG= -0.058122 TDE= -0.343072 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321638 ETOT(band)= -0.350128 trlgG= -0.438784 logG= -0.028016 TDE= -0.170920 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.045636 logG= -0.055737 Density= 0.324053 ETOT(band)= -0.348006 trlgG= -0.434986 logG= -0.055737 TDE= -0.341498 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023975 logG= -0.028516 Density= 0.212805 ETOT(band)= -0.234322 trlgG= -0.293504 logG= -0.028516 TDE= -0.170850 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023419 logG= -0.028588 Density= 0.216205 ETOT(band)= -0.232695 trlgG= -0.292216 logG= -0.028588 TDE= -0.171209 logGD-logG0= -0.005211 tlogG= -0.024087 logG= -0.029298 Density= 0.323071 ETOT(band)= -0.351253 trlgG= -0.442688 logG= -0.029298 TDE= -0.171445 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.047243 logG= -0.057617 logGD-logG0= -0.004980 tlogG= -0.024160 logG= -0.029140 logGD-logG0= -0.005080 tlogG= -0.022443 logG= -0.027523 Density= 0.216376 ETOT(band)= -0.231325 trlgG= -0.288615 logG= -0.027523 TDE= -0.170587 Density= 0.324142 ETOT(band)= -0.349603 trlgG= -0.439691 logG= -0.057617 TDE= -0.342680 logGD-logG0= -0.005142 tlogG= -0.023960 logG= -0.029102 Density= 0.216396 ETOT(band)= -0.233272 trlgG= -0.294127 logG= -0.029102 TDE= -0.171589 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023766 logG= -0.028928 Density= 0.216285 ETOT(band)= -0.233074 trlgG= -0.293423 logG= -0.028928 TDE= -0.171448 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214745 ETOT(band)= -0.234210 trlgG= -0.294542 logG= -0.029140 TDE= -0.171256 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010613 tlogG= -0.048048 logG= -0.058661 Density= 0.323257 ETOT(band)= -0.351045 trlgG= -0.442385 logG= -0.058661 TDE= -0.343065 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023902 logG= -0.029229 Density= 0.215651 ETOT(band)= -0.233798 trlgG= -0.294565 logG= -0.029229 TDE= -0.171455 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023248 logG= -0.028239 Density= 0.321706 ETOT(band)= -0.350632 trlgG= -0.439636 logG= -0.028239 TDE= -0.170875 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.024010 logG= -0.028712 Density= 0.214122 ETOT(band)= -0.234131 trlgG= -0.294145 logG= -0.028712 TDE= -0.171250 logGD-logG0= -0.004745 tlogG= -0.023248 logG= -0.027993 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213497 ETOT(band)= -0.233664 trlgG= -0.292242 logG= -0.027993 TDE= -0.170765 logGD-logG0= -0.010372 tlogG= -0.046422 logG= -0.056794 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324006 ETOT(band)= -0.348948 trlgG= -0.437605 logG= -0.056794 TDE= -0.342123 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001680 tlogG= -0.007118 logG= -0.008798 Density= 0.072231 ETOT(band)= -0.076493 trlgG= -0.094845 logG= -0.008798 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005312 tlogG= -0.023961 logG= -0.029273 Density= 0.323670 ETOT(band)= -0.350716 trlgG= -0.442128 logG= -0.029273 TDE= -0.171503 logGD-logG0= -0.004879 tlogG= -0.022476 logG= -0.027355 Density= 0.215023 ETOT(band)= -0.231709 trlgG= -0.288060 logG= -0.027355 TDE= -0.170200 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009373 tlogG= -0.046719 logG= -0.056092 logGD-logG0= -0.009607 tlogG= -0.046612 logG= -0.056219 logGD-logG0= -0.008884 tlogG= -0.048102 logG= -0.056985 Density= 0.425526 ETOT(band)= -0.468444 trlgG= -0.586495 logG= -0.056985 TDE= -0.341817 Density= 0.322711 ETOT(band)= -0.349078 trlgG= -0.436422 logG= -0.056219 TDE= -0.341650 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427890 ETOT(band)= -0.466225 trlgG= -0.581878 logG= -0.056092 TDE= -0.341260 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023688 logG= -0.029063 Density= 0.215413 ETOT(band)= -0.233652 trlgG= -0.293868 logG= -0.029063 TDE= -0.171277 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023374 logG= -0.027988 Density= 0.214184 ETOT(band)= -0.233419 trlgG= -0.292352 logG= -0.027988 TDE= -0.170928 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009564 tlogG= -0.047846 logG= -0.057411 Density= 0.428040 ETOT(band)= -0.468247 trlgG= -0.587876 logG= -0.057411 TDE= -0.342306 logGD-logG0= -0.010067 tlogG= -0.048155 logG= -0.058223 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429307 ETOT(band)= -0.468353 trlgG= -0.588645 logG= -0.058223 TDE= -0.342352 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010178 tlogG= -0.047675 logG= -0.057853 Density= 0.428294 ETOT(band)= -0.468229 trlgG= -0.587208 logG= -0.057853 TDE= -0.341947 logGD-logG0= -0.004869 tlogG= -0.021305 logG= -0.026174 logGD-logG0= -0.009427 tlogG= -0.046614 logG= -0.056041 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162653 ETOT(band)= -0.173015 trlgG= -0.215925 logG= -0.026174 TDE= -0.169902 logGD-logG0= -0.010236 tlogG= -0.047964 logG= -0.058200 Density= 0.428097 ETOT(band)= -0.466945 trlgG= -0.584483 logG= -0.056041 TDE= -0.341675 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010200 tlogG= -0.048228 logG= -0.058429 Density= 0.430046 ETOT(band)= -0.468354 trlgG= -0.589414 logG= -0.058429 TDE= -0.342569 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429211 ETOT(band)= -0.468315 trlgG= -0.588293 logG= -0.058200 TDE= -0.342194 logGD-logG0= -0.010579 tlogG= -0.047736 logG= -0.058315 Density= 0.430761 ETOT(band)= -0.467606 trlgG= -0.588370 logG= -0.058315 TDE= -0.342711 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010680 tlogG= -0.047701 logG= -0.058381 logGD-logG0= -0.009575 tlogG= -0.047656 logG= -0.057231 logGD-logG0= -0.010411 tlogG= -0.048078 logG= -0.058488 Density= 0.431103 ETOT(band)= -0.467548 trlgG= -0.588729 logG= -0.058381 TDE= -0.342818 logGD-logG0= -0.009740 tlogG= -0.047860 logG= -0.057600 Density= 0.430153 ETOT(band)= -0.468184 trlgG= -0.589085 logG= -0.058488 TDE= -0.342695 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429142 ETOT(band)= -0.468018 trlgG= -0.587845 logG= -0.057600 TDE= -0.342292 Density= 0.426669 ETOT(band)= -0.468466 trlgG= -0.587014 logG= -0.057231 TDE= -0.341837 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009856 tlogG= -0.046407 logG= -0.056263 Density= 0.429535 ETOT(band)= -0.465647 trlgG= -0.581548 logG= -0.056263 TDE= -0.341371 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010240 tlogG= -0.046937 logG= -0.057177 Density= 0.429886 ETOT(band)= -0.466560 trlgG= -0.584248 logG= -0.057177 TDE= -0.341663 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009529 tlogG= -0.047775 logG= -0.057304 Density= 0.427174 ETOT(band)= -0.468014 trlgG= -0.585864 logG= -0.057304 TDE= -0.341539 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.047566 logG= -0.057487 logGD-logG0= -0.010604 tlogG= -0.048026 logG= -0.058630 Density= 0.431345 ETOT(band)= -0.467829 trlgG= -0.589721 logG= -0.058630 TDE= -0.343083 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428611 ETOT(band)= -0.467573 trlgG= -0.586245 logG= -0.057487 TDE= -0.341991 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010638 tlogG= -0.047275 logG= -0.057913 Density= 0.430490 ETOT(band)= -0.467183 trlgG= -0.586899 logG= -0.057913 TDE= -0.342327 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.047577 logG= -0.057740 Density= 0.430017 ETOT(band)= -0.467206 trlgG= -0.586177 logG= -0.057740 TDE= -0.342108 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022331 logG= -0.027127 Density= 0.322876 ETOT(band)= -0.348048 trlgG= -0.434033 logG= -0.027127 TDE= -0.170268 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001215 tlogG= -0.005469 logG= -0.006684 Density= 0.081202 ETOT(band)= -0.086370 trlgG= -0.107374 logG= -0.006684 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009892 tlogG= -0.044629 logG= -0.054521 Density= 0.324294 ETOT(band)= -0.346737 trlgG= -0.431975 logG= -0.054521 TDE= -0.340820 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022330 logG= -0.027087 Density= 0.215030 ETOT(band)= -0.231998 trlgG= -0.289104 logG= -0.027087 TDE= -0.170274 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009740 tlogG= -0.044632 logG= -0.054372 Density= 0.431613 ETOT(band)= -0.462169 trlgG= -0.574764 logG= -0.054372 TDE= -0.340456 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.880359031382 eV TrLogG= -407.291897856602 eV Ratio to renormalize= 1.000016291623 rho-rho_expected=-0.000358409876 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 80) Finished k-point number 162 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 126 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964692541970988 0.940479679887989 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.035312 ETOT(band)= -0.039085 trlgG= -0.048973 logG= -0.009439 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004288 tlogG= -0.024053 logG= -0.028341 Density= 0.106114 ETOT(band)= -0.117190 trlgG= -0.146791 logG= -0.028341 TDE= -0.170961 logGD-logG0= -0.001475 tlogG= -0.007812 logG= -0.009286 logGD-logG0= -0.002308 tlogG= -0.011884 logG= -0.014193 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053562 ETOT(band)= -0.058411 trlgG= -0.073265 logG= -0.014193 TDE= -0.085578 Density= 0.035491 ETOT(band)= -0.038933 trlgG= -0.048608 logG= -0.009286 TDE= -0.056884 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002585 tlogG= -0.012033 logG= -0.014618 Density= 0.053764 ETOT(band)= -0.058543 trlgG= -0.073684 logG= -0.014618 TDE= -0.085671 logGD-logG0= -0.002315 tlogG= -0.011449 logG= -0.013764 Density= 0.053737 ETOT(band)= -0.058080 trlgG= -0.072500 logG= -0.013764 TDE= -0.085328 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.022991 logG= -0.027666 Density= 0.106871 ETOT(band)= -0.116512 trlgG= -0.145207 logG= -0.027666 TDE= -0.170426 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002403 tlogG= -0.012083 logG= -0.014486 Density= 0.053585 ETOT(band)= -0.058555 trlgG= -0.073627 logG= -0.014486 TDE= -0.085657 logGD-logG0= -0.004315 tlogG= -0.023976 logG= -0.028291 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106166 ETOT(band)= -0.117146 trlgG= -0.146678 logG= -0.028291 TDE= -0.170923 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023207 logG= -0.027796 logGD-logG0= -0.004701 tlogG= -0.023502 logG= -0.028203 Density= 0.106735 ETOT(band)= -0.116644 trlgG= -0.145469 logG= -0.027796 TDE= -0.170491 Density= 0.106773 ETOT(band)= -0.116835 trlgG= -0.145953 logG= -0.028203 TDE= -0.170587 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002541 tlogG= -0.011985 logG= -0.014526 logGD-logG0= -0.005002 tlogG= -0.022459 logG= -0.027460 Density= 0.054140 ETOT(band)= -0.058304 trlgG= -0.073546 logG= -0.014526 TDE= -0.085811 Density= 0.108207 ETOT(band)= -0.115753 trlgG= -0.144561 logG= -0.027460 TDE= -0.170647 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004978 tlogG= -0.022410 logG= -0.027388 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107636 ETOT(band)= -0.115983 trlgG= -0.144442 logG= -0.027388 TDE= -0.170318 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.023952 logG= -0.029055 Density= 0.108233 ETOT(band)= -0.116632 trlgG= -0.147097 logG= -0.029055 TDE= -0.171602 logGD-logG0= -0.005115 tlogG= -0.023766 logG= -0.028881 Density= 0.108182 ETOT(band)= -0.116557 trlgG= -0.146819 logG= -0.028881 TDE= -0.171472 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.022984 logG= -0.028054 Density= 0.108139 ETOT(band)= -0.116126 trlgG= -0.145509 logG= -0.028054 TDE= -0.170967 logGD-logG0= -0.005111 tlogG= -0.023432 logG= -0.028543 logGD-logG0= -0.005246 tlogG= -0.024073 logG= -0.029318 Density= 0.107646 ETOT(band)= -0.117086 trlgG= -0.147514 logG= -0.029318 TDE= -0.171464 Density= 0.108135 ETOT(band)= -0.116396 trlgG= -0.146283 logG= -0.028543 TDE= -0.171250 logGD-logG0= -0.004919 tlogG= -0.022171 logG= -0.027090 Density= 0.108363 ETOT(band)= -0.115447 trlgG= -0.143953 logG= -0.027090 TDE= -0.170486 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024047 logG= -0.028559 Density= 0.106387 ETOT(band)= -0.117177 trlgG= -0.146799 logG= -0.028559 TDE= -0.170885 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010427 logG= -0.012811 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054380 ETOT(band)= -0.057081 trlgG= -0.070693 logG= -0.012811 TDE= -0.084792 logGD-logG0= -0.005286 tlogG= -0.024136 logG= -0.029422 logGD-logG0= -0.004830 tlogG= -0.022851 logG= -0.027681 Density= 0.107815 ETOT(band)= -0.117081 trlgG= -0.147702 logG= -0.029422 TDE= -0.171633 logGD-logG0= -0.001678 tlogG= -0.007305 logG= -0.008984 Density= 0.035844 ETOT(band)= -0.038583 trlgG= -0.047910 logG= -0.008984 TDE= -0.056664 Density= 0.107750 ETOT(band)= -0.116111 trlgG= -0.144926 logG= -0.027681 TDE= -0.170565 logGD-logG0= -0.005254 tlogG= -0.024090 logG= -0.029343 logGD-logG0= -0.002610 tlogG= -0.011989 logG= -0.014599 Density= 0.053985 ETOT(band)= -0.058425 trlgG= -0.073668 logG= -0.014599 TDE= -0.085783 logGD-logG0= -0.005278 tlogG= -0.023903 logG= -0.029182 Density= 0.107892 ETOT(band)= -0.116993 trlgG= -0.147577 logG= -0.029343 TDE= -0.171624 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107755 ETOT(band)= -0.116952 trlgG= -0.147298 logG= -0.029182 TDE= -0.171439 logGD-logG0= -0.005062 tlogG= -0.023218 logG= -0.028280 Density= 0.108198 ETOT(band)= -0.116219 trlgG= -0.145864 logG= -0.028280 TDE= -0.171126 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.024094 logG= -0.029054 logGD-logG0= -0.004965 tlogG= -0.023644 logG= -0.028609 Density= 0.106979 ETOT(band)= -0.116952 trlgG= -0.146297 logG= -0.028609 TDE= -0.170626 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107382 ETOT(band)= -0.117052 trlgG= -0.147136 logG= -0.029054 TDE= -0.171219 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.023607 logG= -0.028700 Density= 0.108208 ETOT(band)= -0.116442 trlgG= -0.146527 logG= -0.028700 TDE= -0.171374 logGD-logG0= -0.004797 tlogG= -0.023690 logG= -0.028486 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023874 logG= -0.028963 Density= 0.108254 ETOT(band)= -0.116567 trlgG= -0.146948 logG= -0.028963 TDE= -0.171554 Density= 0.107381 ETOT(band)= -0.116742 trlgG= -0.146394 logG= -0.028486 TDE= -0.171045 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004997 tlogG= -0.022736 logG= -0.027733 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108253 ETOT(band)= -0.115889 trlgG= -0.144997 logG= -0.027733 TDE= -0.170833 logGD-logG0= -0.005253 tlogG= -0.023686 logG= -0.028939 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107233 ETOT(band)= -0.117022 trlgG= -0.146846 logG= -0.028939 TDE= -0.170972 logGD-logG0= -0.004675 tlogG= -0.023689 logG= -0.028363 Density= 0.106976 ETOT(band)= -0.116863 trlgG= -0.146487 logG= -0.028363 TDE= -0.171061 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.022877 logG= -0.027954 Density= 0.107618 ETOT(band)= -0.116316 trlgG= -0.145339 logG= -0.027954 TDE= -0.170639 logGD-logG0= -0.005196 tlogG= -0.023969 logG= -0.029164 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107447 ETOT(band)= -0.117073 trlgG= -0.147241 logG= -0.029164 TDE= -0.171247 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.023894 logG= -0.028765 Density= 0.106757 ETOT(band)= -0.117135 trlgG= -0.146910 logG= -0.028765 TDE= -0.170973 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023670 logG= -0.028317 Density= 0.106597 ETOT(band)= -0.116982 trlgG= -0.146383 logG= -0.028317 TDE= -0.170816 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023197 logG= -0.028466 Density= 0.107686 ETOT(band)= -0.116563 trlgG= -0.146148 logG= -0.028466 TDE= -0.170970 logGD-logG0= -0.001612 tlogG= -0.006992 logG= -0.008604 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047248 logG= -0.008604 TDE= -0.056556 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.022854 logG= -0.027561 Density= 0.107298 ETOT(band)= -0.116257 trlgG= -0.145054 logG= -0.027561 TDE= -0.170589 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.023582 logG= -0.028859 logGD-logG0= -0.005228 tlogG= -0.024061 logG= -0.029289 Density= 0.107803 ETOT(band)= -0.116724 trlgG= -0.146777 logG= -0.028859 TDE= -0.171264 Density= 0.107951 ETOT(band)= -0.116925 trlgG= -0.147488 logG= -0.029289 TDE= -0.171618 logGD-logG0= -0.009403 tlogG= -0.045764 logG= -0.055167 logGD-logG0= -0.009717 tlogG= -0.048248 logG= -0.057965 Density= 0.214406 ETOT(band)= -0.234188 trlgG= -0.294400 logG= -0.057965 TDE= -0.342534 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215022 ETOT(band)= -0.232347 trlgG= -0.290007 logG= -0.055167 TDE= -0.341243 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009583 tlogG= -0.047164 logG= -0.056747 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.021566 logG= -0.026433 Density= 0.108518 ETOT(band)= -0.114896 trlgG= -0.142823 logG= -0.026433 TDE= -0.170090 logGD-logG0= -0.002445 tlogG= -0.010842 logG= -0.013287 Density= 0.213767 ETOT(band)= -0.233785 trlgG= -0.292827 logG= -0.056747 TDE= -0.341863 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009042 tlogG= -0.047635 logG= -0.056677 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009683 tlogG= -0.045595 logG= -0.055277 Density= 0.214364 ETOT(band)= -0.232699 trlgG= -0.290187 logG= -0.055277 TDE= -0.340988 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071541 logG= -0.013287 TDE= -0.085008 logGD-logG0= -0.009863 tlogG= -0.047905 logG= -0.057767 Density= 0.212923 ETOT(band)= -0.234088 trlgG= -0.292900 logG= -0.056677 TDE= -0.341587 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.047751 logG= -0.058189 Density= 0.214763 ETOT(band)= -0.234110 trlgG= -0.294235 logG= -0.058189 TDE= -0.342321 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213972 ETOT(band)= -0.234228 trlgG= -0.294090 logG= -0.057767 TDE= -0.342206 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.047934 logG= -0.057406 Density= 0.213273 ETOT(band)= -0.234295 trlgG= -0.293544 logG= -0.057406 TDE= -0.341676 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009745 tlogG= -0.047158 logG= -0.056903 Density= 0.213779 ETOT(band)= -0.233829 trlgG= -0.292619 logG= -0.056903 TDE= -0.341504 logGD-logG0= -0.004847 tlogG= -0.024071 logG= -0.028918 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010303 tlogG= -0.047791 logG= -0.058094 Density= 0.107058 ETOT(band)= -0.117115 trlgG= -0.147163 logG= -0.028918 TDE= -0.171222 logGD-logG0= -0.009356 tlogG= -0.047452 logG= -0.056807 Density= 0.214662 ETOT(band)= -0.234104 trlgG= -0.294066 logG= -0.058094 TDE= -0.342198 Density= 0.214314 ETOT(band)= -0.233613 trlgG= -0.292955 logG= -0.056807 TDE= -0.342201 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010393 tlogG= -0.048085 logG= -0.058479 Density= 0.215078 ETOT(band)= -0.234162 trlgG= -0.294745 logG= -0.058479 TDE= -0.342698 logGD-logG0= -0.009787 tlogG= -0.045653 logG= -0.055441 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215154 ETOT(band)= -0.232421 trlgG= -0.289998 logG= -0.055441 TDE= -0.341027 logGD-logG0= -0.010104 tlogG= -0.047664 logG= -0.057768 logGD-logG0= -0.010242 tlogG= -0.047984 logG= -0.058226 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.048019 logG= -0.058494 Density= 0.215115 ETOT(band)= -0.234153 trlgG= -0.294772 logG= -0.058494 TDE= -0.342728 Density= 0.215081 ETOT(band)= -0.234017 trlgG= -0.294329 logG= -0.058226 TDE= -0.342536 Density= 0.213953 ETOT(band)= -0.234215 trlgG= -0.293842 logG= -0.057768 TDE= -0.341948 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009986 tlogG= -0.048033 logG= -0.058019 Density= 0.214537 ETOT(band)= -0.234134 trlgG= -0.294148 logG= -0.058019 TDE= -0.342292 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023873 logG= -0.029112 Density= 0.107919 ETOT(band)= -0.116819 trlgG= -0.147191 logG= -0.029112 TDE= -0.171483 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010529 tlogG= -0.047534 logG= -0.058063 logGD-logG0= -0.010331 tlogG= -0.047312 logG= -0.057643 Density= 0.214266 ETOT(band)= -0.234006 trlgG= -0.293318 logG= -0.057643 TDE= -0.341704 logGD-logG0= -0.010497 tlogG= -0.047425 logG= -0.057923 logGD-logG0= -0.010454 tlogG= -0.047947 logG= -0.058401 Density= 0.215906 ETOT(band)= -0.233722 trlgG= -0.294677 logG= -0.058401 TDE= -0.343116 logGD-logG0= -0.010540 tlogG= -0.046882 logG= -0.057422 Density= 0.215437 ETOT(band)= -0.233372 trlgG= -0.293075 logG= -0.057422 TDE= -0.342262 Density= 0.215709 ETOT(band)= -0.233606 trlgG= -0.294115 logG= -0.058063 TDE= -0.342795 Density= 0.215476 ETOT(band)= -0.233648 trlgG= -0.293875 logG= -0.057923 TDE= -0.342581 logGD-logG0= -0.005034 tlogG= -0.021820 logG= -0.026854 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107790 ETOT(band)= -0.115554 trlgG= -0.143567 logG= -0.026854 TDE= -0.170053 logGD-logG0= -0.010588 tlogG= -0.048149 logG= -0.058737 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215433 ETOT(band)= -0.234177 trlgG= -0.295208 logG= -0.058737 TDE= -0.343078 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010101 tlogG= -0.046416 logG= -0.056517 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010509 tlogG= -0.047895 logG= -0.058405 Density= 0.215222 ETOT(band)= -0.232982 trlgG= -0.291632 logG= -0.056517 TDE= -0.341618 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215777 ETOT(band)= -0.233795 trlgG= -0.294679 logG= -0.058405 TDE= -0.343052 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009711 tlogG= -0.047229 logG= -0.056939 Density= 0.214481 ETOT(band)= -0.233573 trlgG= -0.292728 logG= -0.056939 TDE= -0.341924 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004787 tlogG= -0.020991 logG= -0.025777 Density= 0.108714 ETOT(band)= -0.114308 trlgG= -0.141666 logG= -0.025777 TDE= -0.169686 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021697 logG= -0.026671 logGD-logG0= -0.004954 tlogG= -0.021876 logG= -0.026830 Density= 0.107933 ETOT(band)= -0.115361 trlgG= -0.143257 logG= -0.026671 TDE= -0.169997 Density= 0.108327 ETOT(band)= -0.115263 trlgG= -0.143504 logG= -0.026830 TDE= -0.170279 logGD-logG0= -0.010012 tlogG= -0.047156 logG= -0.057168 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215158 ETOT(band)= -0.233384 trlgG= -0.292650 logG= -0.057168 TDE= -0.341952 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009943 tlogG= -0.043393 logG= -0.053336 Density= 0.216283 ETOT(band)= -0.230510 trlgG= -0.286488 logG= -0.053336 TDE= -0.340180 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004262 tlogG= -0.024133 logG= -0.028395 Density= 0.212166 ETOT(band)= -0.234431 trlgG= -0.293706 logG= -0.028395 TDE= -0.170999 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005171 logG= -0.006348 Density= 0.062541 ETOT(band)= -0.067559 trlgG= -0.084212 logG= -0.006348 TDE= -0.042365 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001559 tlogG= -0.007589 logG= -0.009148 Density= 0.071497 ETOT(band)= -0.077363 trlgG= -0.096160 logG= -0.009148 TDE= -0.056745 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006997 Density= 0.080638 ETOT(band)= -0.087413 trlgG= -0.109615 logG= -0.006997 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005620 logG= -0.006848 logGD-logG0= -0.001267 tlogG= -0.005940 logG= -0.007207 Density= 0.080840 ETOT(band)= -0.086984 trlgG= -0.108612 logG= -0.006848 TDE= -0.042675 Density= 0.080835 ETOT(band)= -0.087662 trlgG= -0.110367 logG= -0.007207 TDE= -0.042872 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004395 tlogG= -0.023742 logG= -0.028137 Density= 0.213084 ETOT(band)= -0.233638 trlgG= -0.291781 logG= -0.028137 TDE= -0.170801 logGD-logG0= -0.004450 tlogG= -0.023588 logG= -0.028039 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212614 ETOT(band)= -0.234048 trlgG= -0.292757 logG= -0.028039 TDE= -0.170716 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005856 logG= -0.007119 Density= 0.080651 ETOT(band)= -0.087628 trlgG= -0.110170 logG= -0.007119 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006874 logG= -0.008443 Density= 0.040850 ETOT(band)= -0.042680 trlgG= -0.052798 logG= -0.008443 TDE= -0.056470 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 logGD-logG0= -0.004565 tlogG= -0.023892 logG= -0.028457 Density= 0.213281 ETOT(band)= -0.233912 trlgG= -0.292508 logG= -0.028457 TDE= -0.170804 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070865 ETOT(band)= -0.077968 trlgG= -0.097459 logG= -0.009386 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007250 Density= 0.081064 ETOT(band)= -0.087564 trlgG= -0.110419 logG= -0.007250 TDE= -0.042902 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022907 logG= -0.027836 Density= 0.214800 ETOT(band)= -0.232445 trlgG= -0.289701 logG= -0.027836 TDE= -0.170453 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.024004 logG= -0.029188 Density= 0.215695 ETOT(band)= -0.233895 trlgG= -0.294833 logG= -0.029188 TDE= -0.171600 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.023484 logG= -0.028697 Density= 0.215222 ETOT(band)= -0.233369 trlgG= -0.292916 logG= -0.028697 TDE= -0.171190 logGD-logG0= -0.005218 tlogG= -0.023802 logG= -0.029020 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215342 ETOT(band)= -0.233803 trlgG= -0.294179 logG= -0.029020 TDE= -0.171447 logGD-logG0= -0.004909 tlogG= -0.022294 logG= -0.027203 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.024002 logG= -0.029150 Density= 0.216365 ETOT(band)= -0.233375 trlgG= -0.294355 logG= -0.029150 TDE= -0.171617 Density= 0.214260 ETOT(band)= -0.232489 trlgG= -0.289457 logG= -0.027203 TDE= -0.170189 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.022475 logG= -0.027353 Density= 0.215025 ETOT(band)= -0.231709 trlgG= -0.288057 logG= -0.027353 TDE= -0.170202 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024125 logG= -0.029402 Density= 0.215729 ETOT(band)= -0.234051 trlgG= -0.295249 logG= -0.029402 TDE= -0.171632 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006503 Density= 0.081562 ETOT(band)= -0.085701 trlgG= -0.106212 logG= -0.006503 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004733 tlogG= -0.024008 logG= -0.028741 Density= 0.321573 ETOT(band)= -0.351175 trlgG= -0.441356 logG= -0.028741 TDE= -0.171247 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023847 logG= -0.028883 Density= 0.215504 ETOT(band)= -0.233798 trlgG= -0.294283 logG= -0.028883 TDE= -0.171135 logGD-logG0= -0.004645 tlogG= -0.023369 logG= -0.028014 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321641 ETOT(band)= -0.350129 trlgG= -0.438780 logG= -0.028014 TDE= -0.170922 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.022441 logG= -0.027521 Density= 0.216379 ETOT(band)= -0.231324 trlgG= -0.288610 logG= -0.027521 TDE= -0.170588 logGD-logG0= -0.005168 tlogG= -0.023417 logG= -0.028585 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216207 ETOT(band)= -0.232695 trlgG= -0.292211 logG= -0.028585 TDE= -0.171210 logGD-logG0= -0.010099 tlogG= -0.045633 logG= -0.055732 Density= 0.324057 ETOT(band)= -0.348005 trlgG= -0.434980 logG= -0.055732 TDE= -0.341500 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024164 logG= -0.029169 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322451 ETOT(band)= -0.351283 trlgG= -0.442033 logG= -0.029169 TDE= -0.171253 logGD-logG0= -0.004540 tlogG= -0.023974 logG= -0.028514 logGD-logG0= -0.004879 tlogG= -0.023884 logG= -0.028763 Density= 0.213790 ETOT(band)= -0.234057 trlgG= -0.293019 logG= -0.028763 TDE= -0.170815 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010325 tlogG= -0.047791 logG= -0.058116 Density= 0.324366 ETOT(band)= -0.349968 trlgG= -0.441031 logG= -0.058116 TDE= -0.343074 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212806 ETOT(band)= -0.234324 trlgG= -0.293503 logG= -0.028514 TDE= -0.170853 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010612 tlogG= -0.048044 logG= -0.058656 Density= 0.323261 ETOT(band)= -0.351044 trlgG= -0.442379 logG= -0.058656 TDE= -0.343068 logGD-logG0= -0.005210 tlogG= -0.024085 logG= -0.029295 Density= 0.323075 ETOT(band)= -0.351253 trlgG= -0.442683 logG= -0.029295 TDE= -0.171446 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022970 logG= -0.028111 Density= 0.216234 ETOT(band)= -0.232122 trlgG= -0.290596 logG= -0.028111 TDE= -0.170923 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.023959 logG= -0.029100 Density= 0.216399 ETOT(band)= -0.233271 trlgG= -0.294122 logG= -0.029100 TDE= -0.171590 logGD-logG0= -0.005161 tlogG= -0.023764 logG= -0.028925 Density= 0.216288 ETOT(band)= -0.233073 trlgG= -0.293418 logG= -0.028925 TDE= -0.171449 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023959 logG= -0.028998 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214345 ETOT(band)= -0.234139 trlgG= -0.293925 logG= -0.028998 TDE= -0.171085 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.047240 logG= -0.057612 Density= 0.324147 ETOT(band)= -0.349603 trlgG= -0.439684 logG= -0.057612 TDE= -0.342682 logGD-logG0= -0.004979 tlogG= -0.024159 logG= -0.029138 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214747 ETOT(band)= -0.234210 trlgG= -0.294539 logG= -0.029138 TDE= -0.171258 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.023246 logG= -0.028237 Density= 0.321710 ETOT(band)= -0.350633 trlgG= -0.439631 logG= -0.028237 TDE= -0.170877 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.046609 logG= -0.056214 Density= 0.322714 ETOT(band)= -0.349079 trlgG= -0.436418 logG= -0.056214 TDE= -0.341653 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023839 logG= -0.028634 Density= 0.213574 ETOT(band)= -0.234197 trlgG= -0.293756 logG= -0.028634 TDE= -0.171071 logGD-logG0= -0.010370 tlogG= -0.046419 logG= -0.056789 Density= 0.324010 ETOT(band)= -0.348948 trlgG= -0.437599 logG= -0.056789 TDE= -0.342125 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.021881 logG= -0.026922 Density= 0.216634 ETOT(band)= -0.230326 trlgG= -0.286492 logG= -0.026922 TDE= -0.170248 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004613 tlogG= -0.023373 logG= -0.027985 Density= 0.214186 ETOT(band)= -0.233420 trlgG= -0.292350 logG= -0.027985 TDE= -0.170930 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004744 tlogG= -0.023247 logG= -0.027990 Density= 0.213498 ETOT(band)= -0.233665 trlgG= -0.292240 logG= -0.027990 TDE= -0.170766 logGD-logG0= -0.005131 tlogG= -0.023196 logG= -0.028327 Density= 0.214873 ETOT(band)= -0.232998 trlgG= -0.291232 logG= -0.028327 TDE= -0.170641 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023960 logG= -0.029271 Density= 0.323675 ETOT(band)= -0.350715 trlgG= -0.442122 logG= -0.029271 TDE= -0.171504 logGD-logG0= -0.001680 tlogG= -0.007117 logG= -0.008798 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.072232 ETOT(band)= -0.076493 trlgG= -0.094844 logG= -0.008798 TDE= -0.056630 logGD-logG0= -0.005374 tlogG= -0.023687 logG= -0.029061 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215416 ETOT(band)= -0.233651 trlgG= -0.293864 logG= -0.029061 TDE= -0.171279 logGD-logG0= -0.005397 tlogG= -0.023356 logG= -0.028753 logGD-logG0= -0.009562 tlogG= -0.047844 logG= -0.057406 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010065 tlogG= -0.048152 logG= -0.058218 Density= 0.429312 ETOT(band)= -0.468354 trlgG= -0.588639 logG= -0.058218 TDE= -0.342356 Density= 0.215113 ETOT(band)= -0.233396 trlgG= -0.292725 logG= -0.028753 TDE= -0.170985 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428043 ETOT(band)= -0.468249 trlgG= -0.587872 logG= -0.057406 TDE= -0.342309 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009371 tlogG= -0.046717 logG= -0.056088 logGD-logG0= -0.008882 tlogG= -0.048099 logG= -0.056981 Density= 0.425528 ETOT(band)= -0.468448 trlgG= -0.586495 logG= -0.056981 TDE= -0.341821 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010234 tlogG= -0.047961 logG= -0.058195 Density= 0.429215 ETOT(band)= -0.468316 trlgG= -0.588286 logG= -0.058195 TDE= -0.342197 Density= 0.427892 ETOT(band)= -0.466227 trlgG= -0.581874 logG= -0.056088 TDE= -0.341263 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.021303 logG= -0.026171 logGD-logG0= -0.010199 tlogG= -0.048225 logG= -0.058424 logGD-logG0= -0.009425 tlogG= -0.046611 logG= -0.056036 Density= 0.162655 ETOT(band)= -0.173014 trlgG= -0.215921 logG= -0.026171 TDE= -0.169902 Density= 0.428100 ETOT(band)= -0.466947 trlgG= -0.584479 logG= -0.056036 TDE= -0.341678 Density= 0.430052 ETOT(band)= -0.468355 trlgG= -0.589407 logG= -0.058424 TDE= -0.342572 logGD-logG0= -0.010177 tlogG= -0.047672 logG= -0.057849 logGD-logG0= -0.010578 tlogG= -0.047732 logG= -0.058310 Density= 0.430767 ETOT(band)= -0.467605 trlgG= -0.588362 logG= -0.058310 TDE= -0.342714 Density= 0.428298 ETOT(band)= -0.468230 trlgG= -0.587203 logG= -0.057849 TDE= -0.341950 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009738 tlogG= -0.047857 logG= -0.057595 Density= 0.429147 ETOT(band)= -0.468019 trlgG= -0.587840 logG= -0.057595 TDE= -0.342296 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009573 tlogG= -0.047653 logG= -0.057226 logGD-logG0= -0.010409 tlogG= -0.048074 logG= -0.058483 Density= 0.426672 ETOT(band)= -0.468468 trlgG= -0.587010 logG= -0.057226 TDE= -0.341841 Density= 0.430159 ETOT(band)= -0.468184 trlgG= -0.589078 logG= -0.058483 TDE= -0.342698 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009527 tlogG= -0.047772 logG= -0.057299 Density= 0.427178 ETOT(band)= -0.468016 trlgG= -0.585860 logG= -0.057299 TDE= -0.341543 logGD-logG0= -0.010678 tlogG= -0.047698 logG= -0.058376 Density= 0.431109 ETOT(band)= -0.467547 trlgG= -0.588721 logG= -0.058376 TDE= -0.342821 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009854 tlogG= -0.046404 logG= -0.056258 Density= 0.429539 ETOT(band)= -0.465648 trlgG= -0.581542 logG= -0.056258 TDE= -0.341374 logGD-logG0= -0.010602 tlogG= -0.048023 logG= -0.058625 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431351 ETOT(band)= -0.467828 trlgG= -0.589713 logG= -0.058625 TDE= -0.343085 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009919 tlogG= -0.047563 logG= -0.057482 Density= 0.428615 ETOT(band)= -0.467574 trlgG= -0.586241 logG= -0.057482 TDE= -0.341995 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.046934 logG= -0.057172 Density= 0.429890 ETOT(band)= -0.466561 trlgG= -0.584241 logG= -0.057172 TDE= -0.341665 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023901 logG= -0.029226 Density= 0.215654 ETOT(band)= -0.233798 trlgG= -0.294561 logG= -0.029226 TDE= -0.171456 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010637 tlogG= -0.047271 logG= -0.057908 logGD-logG0= -0.004796 tlogG= -0.022329 logG= -0.027125 Density= 0.322879 ETOT(band)= -0.348048 trlgG= -0.434029 logG= -0.027125 TDE= -0.170270 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430495 ETOT(band)= -0.467183 trlgG= -0.586892 logG= -0.057908 TDE= -0.342330 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005468 logG= -0.006683 logGD-logG0= -0.004701 tlogG= -0.024009 logG= -0.028709 Density= 0.214124 ETOT(band)= -0.234132 trlgG= -0.294143 logG= -0.028709 TDE= -0.171252 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081203 ETOT(band)= -0.086370 trlgG= -0.107372 logG= -0.006683 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.021207 logG= -0.026117 Density= 0.216352 ETOT(band)= -0.230081 trlgG= -0.285546 logG= -0.026117 TDE= -0.169822 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009890 tlogG= -0.044625 logG= -0.054516 Density= 0.324298 ETOT(band)= -0.346736 trlgG= -0.431968 logG= -0.054516 TDE= -0.340822 logGD-logG0= -0.010162 tlogG= -0.047574 logG= -0.057736 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430022 ETOT(band)= -0.467206 trlgG= -0.586170 logG= -0.057736 TDE= -0.342110 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.021352 logG= -0.026304 Density= 0.217028 ETOT(band)= -0.229218 trlgG= -0.284286 logG= -0.026304 TDE= -0.169916 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004755 tlogG= -0.022329 logG= -0.027084 Density= 0.215031 ETOT(band)= -0.231998 trlgG= -0.289101 logG= -0.027084 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009738 tlogG= -0.044629 logG= -0.054367 Density= 0.431617 ETOT(band)= -0.462169 trlgG= -0.574756 logG= -0.054367 TDE= -0.340459 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.880752456664 eV TrLogG= -407.289029191935 eV Ratio to renormalize= 1.000005866574 rho-rho_expected=-0.000129063872 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964687979017996 0.940476037894710 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002308 tlogG= -0.011884 logG= -0.014192 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 Density= 0.053562 ETOT(band)= -0.058411 trlgG= -0.073264 logG= -0.014192 TDE= -0.085577 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002315 tlogG= -0.011448 logG= -0.013764 logGD-logG0= -0.001475 tlogG= -0.007812 logG= -0.009286 Density= 0.035491 ETOT(band)= -0.038933 trlgG= -0.048607 logG= -0.009286 TDE= -0.056884 Density= 0.053737 ETOT(band)= -0.058080 trlgG= -0.072499 logG= -0.013764 TDE= -0.085328 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002403 tlogG= -0.012083 logG= -0.014486 Density= 0.053585 ETOT(band)= -0.058554 trlgG= -0.073626 logG= -0.014486 TDE= -0.085657 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002541 tlogG= -0.011985 logG= -0.014526 logGD-logG0= -0.001394 tlogG= -0.008045 logG= -0.009439 Density= 0.054140 ETOT(band)= -0.058303 trlgG= -0.073545 logG= -0.014526 TDE= -0.085811 Density= 0.035312 ETOT(band)= -0.039085 trlgG= -0.048972 logG= -0.009439 TDE= -0.057008 logGD-logG0= -0.002585 tlogG= -0.012033 logG= -0.014618 Density= 0.053764 ETOT(band)= -0.058542 trlgG= -0.073683 logG= -0.014618 TDE= -0.085670 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.022458 logG= -0.027460 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108207 ETOT(band)= -0.115752 trlgG= -0.144559 logG= -0.027460 TDE= -0.170646 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.022983 logG= -0.028053 Density= 0.108139 ETOT(band)= -0.116125 trlgG= -0.145507 logG= -0.028053 TDE= -0.170966 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023765 logG= -0.028880 Density= 0.108182 ETOT(band)= -0.116556 trlgG= -0.146817 logG= -0.028880 TDE= -0.171470 logGD-logG0= -0.005246 tlogG= -0.024072 logG= -0.029317 Density= 0.107646 ETOT(band)= -0.117085 trlgG= -0.147512 logG= -0.029317 TDE= -0.171463 logGD-logG0= -0.005111 tlogG= -0.023431 logG= -0.028542 logGD-logG0= -0.004288 tlogG= -0.024053 logG= -0.028341 Density= 0.106114 ETOT(band)= -0.117189 trlgG= -0.146790 logG= -0.028341 TDE= -0.170960 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.023951 logG= -0.029054 Density= 0.108135 ETOT(band)= -0.116394 trlgG= -0.146281 logG= -0.028542 TDE= -0.171249 Density= 0.108233 ETOT(band)= -0.116631 trlgG= -0.147095 logG= -0.029054 TDE= -0.171601 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004315 tlogG= -0.023976 logG= -0.028290 Density= 0.106166 ETOT(band)= -0.117145 trlgG= -0.146676 logG= -0.028290 TDE= -0.170922 logGD-logG0= -0.004512 tlogG= -0.024047 logG= -0.028558 Density= 0.106387 ETOT(band)= -0.117176 trlgG= -0.146797 logG= -0.028558 TDE= -0.170884 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.011989 logG= -0.014599 Density= 0.053985 ETOT(band)= -0.058425 trlgG= -0.073667 logG= -0.014599 TDE= -0.085782 logGD-logG0= -0.004919 tlogG= -0.022170 logG= -0.027089 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.024089 logG= -0.029342 Density= 0.108363 ETOT(band)= -0.115445 trlgG= -0.143951 logG= -0.027089 TDE= -0.170485 Density= 0.107892 ETOT(band)= -0.116992 trlgG= -0.147575 logG= -0.029342 TDE= -0.171623 logGD-logG0= -0.004588 tlogG= -0.023207 logG= -0.027795 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022850 logG= -0.027680 Density= 0.106735 ETOT(band)= -0.116643 trlgG= -0.145468 logG= -0.027795 TDE= -0.170491 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107750 ETOT(band)= -0.116110 trlgG= -0.144924 logG= -0.027680 TDE= -0.170564 logGD-logG0= -0.005062 tlogG= -0.023217 logG= -0.028279 logGD-logG0= -0.004965 tlogG= -0.023643 logG= -0.028608 Density= 0.106979 ETOT(band)= -0.116951 trlgG= -0.146295 logG= -0.028608 TDE= -0.170625 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108198 ETOT(band)= -0.116218 trlgG= -0.145862 logG= -0.028279 TDE= -0.171125 logGD-logG0= -0.005253 tlogG= -0.023685 logG= -0.028938 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004978 tlogG= -0.022409 logG= -0.027387 Density= 0.107636 ETOT(band)= -0.115981 trlgG= -0.144440 logG= -0.027387 TDE= -0.170317 logGD-logG0= -0.004997 tlogG= -0.022735 logG= -0.027732 Density= 0.108253 ETOT(band)= -0.115888 trlgG= -0.144995 logG= -0.027732 TDE= -0.170832 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107233 ETOT(band)= -0.117021 trlgG= -0.146844 logG= -0.028938 TDE= -0.170971 logGD-logG0= -0.004675 tlogG= -0.022991 logG= -0.027665 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023873 logG= -0.028962 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.024094 logG= -0.029053 logGD-logG0= -0.005077 tlogG= -0.022876 logG= -0.027953 Density= 0.107618 ETOT(band)= -0.116314 trlgG= -0.145336 logG= -0.027953 TDE= -0.170638 logGD-logG0= -0.005278 tlogG= -0.023902 logG= -0.029181 Density= 0.106871 ETOT(band)= -0.116512 trlgG= -0.145205 logG= -0.027665 TDE= -0.170425 logGD-logG0= -0.005196 tlogG= -0.023968 logG= -0.029164 Density= 0.107447 ETOT(band)= -0.117072 trlgG= -0.147239 logG= -0.029164 TDE= -0.171245 logGD-logG0= -0.005286 tlogG= -0.024135 logG= -0.029421 Density= 0.107382 ETOT(band)= -0.117051 trlgG= -0.147134 logG= -0.029053 TDE= -0.171218 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107755 ETOT(band)= -0.116951 trlgG= -0.147296 logG= -0.029181 TDE= -0.171438 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.023893 logG= -0.028764 Density= 0.106757 ETOT(band)= -0.117135 trlgG= -0.146908 logG= -0.028764 TDE= -0.170973 Density= 0.108254 ETOT(band)= -0.116566 trlgG= -0.146946 logG= -0.028962 TDE= -0.171553 logGD-logG0= -0.004701 tlogG= -0.023501 logG= -0.028202 Density= 0.106773 ETOT(band)= -0.116834 trlgG= -0.145951 logG= -0.028202 TDE= -0.170586 Density= 0.107815 ETOT(band)= -0.117080 trlgG= -0.147700 logG= -0.029421 TDE= -0.171631 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023669 logG= -0.028316 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.024070 logG= -0.028917 Density= 0.107058 ETOT(band)= -0.117114 trlgG= -0.147161 logG= -0.028917 TDE= -0.171221 logGD-logG0= -0.004796 tlogG= -0.023689 logG= -0.028486 Density= 0.107380 ETOT(band)= -0.116741 trlgG= -0.146393 logG= -0.028486 TDE= -0.171044 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106596 ETOT(band)= -0.116981 trlgG= -0.146382 logG= -0.028316 TDE= -0.170815 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.023606 logG= -0.028699 logGD-logG0= -0.004675 tlogG= -0.023688 logG= -0.028362 Density= 0.106976 ETOT(band)= -0.116862 trlgG= -0.146485 logG= -0.028362 TDE= -0.171060 Density= 0.108208 ETOT(band)= -0.116441 trlgG= -0.146525 logG= -0.028699 TDE= -0.171373 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005228 tlogG= -0.024060 logG= -0.029288 Density= 0.107951 ETOT(band)= -0.116924 trlgG= -0.147486 logG= -0.029288 TDE= -0.171617 logGD-logG0= -0.005269 tlogG= -0.023196 logG= -0.028465 Density= 0.107686 ETOT(band)= -0.116562 trlgG= -0.146146 logG= -0.028465 TDE= -0.170969 logGD-logG0= -0.004706 tlogG= -0.022853 logG= -0.027560 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107298 ETOT(band)= -0.116256 trlgG= -0.145052 logG= -0.027560 TDE= -0.170588 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023872 logG= -0.029111 Density= 0.107919 ETOT(band)= -0.116818 trlgG= -0.147189 logG= -0.029111 TDE= -0.171482 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009403 tlogG= -0.045763 logG= -0.055165 Density= 0.215021 ETOT(band)= -0.232344 trlgG= -0.290004 logG= -0.055165 TDE= -0.341241 logGD-logG0= -0.005277 tlogG= -0.023581 logG= -0.028858 Density= 0.107803 ETOT(band)= -0.116723 trlgG= -0.146775 logG= -0.028858 TDE= -0.171263 logGD-logG0= -0.009717 tlogG= -0.048246 logG= -0.057963 Density= 0.214406 ETOT(band)= -0.234186 trlgG= -0.294396 logG= -0.057963 TDE= -0.342532 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009583 tlogG= -0.047162 logG= -0.056745 Density= 0.213767 ETOT(band)= -0.233783 trlgG= -0.292823 logG= -0.056745 TDE= -0.341861 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009042 tlogG= -0.047634 logG= -0.056675 Density= 0.212922 ETOT(band)= -0.234087 trlgG= -0.292897 logG= -0.056675 TDE= -0.341586 logGD-logG0= -0.010438 tlogG= -0.047749 logG= -0.058188 Density= 0.214763 ETOT(band)= -0.234108 trlgG= -0.294231 logG= -0.058188 TDE= -0.342319 logGD-logG0= -0.009682 tlogG= -0.045593 logG= -0.055275 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009355 tlogG= -0.047450 logG= -0.056805 logGD-logG0= -0.009472 tlogG= -0.047932 logG= -0.057404 Density= 0.213272 ETOT(band)= -0.234293 trlgG= -0.293540 logG= -0.057404 TDE= -0.341674 Density= 0.214314 ETOT(band)= -0.233611 trlgG= -0.292952 logG= -0.056805 TDE= -0.342199 Density= 0.214364 ETOT(band)= -0.232697 trlgG= -0.290184 logG= -0.055275 TDE= -0.340986 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009745 tlogG= -0.047157 logG= -0.056901 Density= 0.213779 ETOT(band)= -0.233827 trlgG= -0.292615 logG= -0.056901 TDE= -0.341502 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009862 tlogG= -0.047903 logG= -0.057766 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010393 tlogG= -0.048084 logG= -0.058477 Density= 0.213972 ETOT(band)= -0.234226 trlgG= -0.294086 logG= -0.057766 TDE= -0.342204 Density= 0.215078 ETOT(band)= -0.234160 trlgG= -0.294741 logG= -0.058477 TDE= -0.342695 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.048017 logG= -0.058492 logGD-logG0= -0.009986 tlogG= -0.048032 logG= -0.058017 Density= 0.214537 ETOT(band)= -0.234132 trlgG= -0.294144 logG= -0.058017 TDE= -0.342290 logGD-logG0= -0.009787 tlogG= -0.045652 logG= -0.055439 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010242 tlogG= -0.047982 logG= -0.058224 Density= 0.215081 ETOT(band)= -0.234015 trlgG= -0.294325 logG= -0.058224 TDE= -0.342534 Density= 0.215154 ETOT(band)= -0.232419 trlgG= -0.289995 logG= -0.055439 TDE= -0.341025 Density= 0.215115 ETOT(band)= -0.234151 trlgG= -0.294768 logG= -0.058492 TDE= -0.342726 logGD-logG0= -0.010303 tlogG= -0.047789 logG= -0.058092 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214662 ETOT(band)= -0.234102 trlgG= -0.294062 logG= -0.058092 TDE= -0.342196 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.047662 logG= -0.057766 logGD-logG0= -0.001612 tlogG= -0.006992 logG= -0.008604 Density= 0.213952 ETOT(band)= -0.234213 trlgG= -0.293838 logG= -0.057766 TDE= -0.341946 logGD-logG0= -0.001678 tlogG= -0.007305 logG= -0.008983 Density= 0.035844 ETOT(band)= -0.038582 trlgG= -0.047909 logG= -0.008983 TDE= -0.056663 logGD-logG0= -0.010529 tlogG= -0.047532 logG= -0.058061 logGD-logG0= -0.010540 tlogG= -0.046881 logG= -0.057421 Density= 0.215437 ETOT(band)= -0.233369 trlgG= -0.293071 logG= -0.057421 TDE= -0.342259 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047247 logG= -0.008604 TDE= -0.056555 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215709 ETOT(band)= -0.233604 trlgG= -0.294111 logG= -0.058061 TDE= -0.342793 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.046414 logG= -0.056515 Density= 0.215222 ETOT(band)= -0.232980 trlgG= -0.291628 logG= -0.056515 TDE= -0.341616 logGD-logG0= -0.010497 tlogG= -0.047423 logG= -0.057921 logGD-logG0= -0.010331 tlogG= -0.047311 logG= -0.057641 logGD-logG0= -0.010588 tlogG= -0.048148 logG= -0.058735 Density= 0.215476 ETOT(band)= -0.233646 trlgG= -0.293871 logG= -0.057921 TDE= -0.342579 Density= 0.214266 ETOT(band)= -0.234004 trlgG= -0.293314 logG= -0.057641 TDE= -0.341702 Density= 0.215433 ETOT(band)= -0.234175 trlgG= -0.295204 logG= -0.058735 TDE= -0.343076 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010509 tlogG= -0.047894 logG= -0.058403 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.047945 logG= -0.058399 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215777 ETOT(band)= -0.233793 trlgG= -0.294675 logG= -0.058403 TDE= -0.343050 Density= 0.215906 ETOT(band)= -0.233720 trlgG= -0.294672 logG= -0.058399 TDE= -0.343114 logGD-logG0= -0.002445 tlogG= -0.010841 logG= -0.013287 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009711 tlogG= -0.047227 logG= -0.056938 Density= 0.214481 ETOT(band)= -0.233571 trlgG= -0.292724 logG= -0.056938 TDE= -0.341922 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071540 logG= -0.013287 TDE= -0.085007 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010012 tlogG= -0.047154 logG= -0.057167 Density= 0.215158 ETOT(band)= -0.233382 trlgG= -0.292646 logG= -0.057167 TDE= -0.341950 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021875 logG= -0.026829 Density= 0.108327 ETOT(band)= -0.115262 trlgG= -0.143502 logG= -0.026829 TDE= -0.170278 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004868 tlogG= -0.021565 logG= -0.026432 Density= 0.108518 ETOT(band)= -0.114895 trlgG= -0.142821 logG= -0.026432 TDE= -0.170089 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004787 tlogG= -0.020990 logG= -0.025776 Density= 0.108714 ETOT(band)= -0.114307 trlgG= -0.141664 logG= -0.025776 TDE= -0.169685 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005034 tlogG= -0.021819 logG= -0.026853 Density= 0.107790 ETOT(band)= -0.115553 trlgG= -0.143565 logG= -0.026853 TDE= -0.170052 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002385 tlogG= -0.010426 logG= -0.012811 Density= 0.054380 ETOT(band)= -0.057080 trlgG= -0.070692 logG= -0.012811 TDE= -0.084791 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021696 logG= -0.026670 Density= 0.107933 ETOT(band)= -0.115360 trlgG= -0.143255 logG= -0.026670 TDE= -0.169996 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009943 tlogG= -0.043392 logG= -0.053334 Density= 0.216283 ETOT(band)= -0.230508 trlgG= -0.286484 logG= -0.053334 TDE= -0.340178 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080839 ETOT(band)= -0.086983 trlgG= -0.108610 logG= -0.006847 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007207 Density= 0.080835 ETOT(band)= -0.087661 trlgG= -0.110365 logG= -0.007207 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005856 logG= -0.007119 Density= 0.080651 ETOT(band)= -0.087627 trlgG= -0.110168 logG= -0.007119 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.024003 logG= -0.029187 Density= 0.215695 ETOT(band)= -0.233893 trlgG= -0.294829 logG= -0.029187 TDE= -0.171599 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007250 Density= 0.081064 ETOT(band)= -0.087563 trlgG= -0.110418 logG= -0.007250 TDE= -0.042901 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006996 Density= 0.070865 ETOT(band)= -0.077967 trlgG= -0.097458 logG= -0.009386 TDE= -0.056969 Density= 0.080638 ETOT(band)= -0.087412 trlgG= -0.109614 logG= -0.006996 TDE= -0.042752 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023801 logG= -0.029019 Density= 0.215342 ETOT(band)= -0.233801 trlgG= -0.294175 logG= -0.029019 TDE= -0.171446 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.024001 logG= -0.029149 Density= 0.216365 ETOT(band)= -0.233373 trlgG= -0.294351 logG= -0.029149 TDE= -0.171616 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023846 logG= -0.028882 Density= 0.215504 ETOT(band)= -0.233796 trlgG= -0.294279 logG= -0.028882 TDE= -0.171134 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004262 tlogG= -0.024133 logG= -0.028395 Density= 0.212166 ETOT(band)= -0.234429 trlgG= -0.293703 logG= -0.028395 TDE= -0.170999 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024124 logG= -0.029401 Density= 0.215728 ETOT(band)= -0.234049 trlgG= -0.295245 logG= -0.029401 TDE= -0.171631 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.023483 logG= -0.028696 Density= 0.215222 ETOT(band)= -0.233367 trlgG= -0.292912 logG= -0.028696 TDE= -0.171189 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023416 logG= -0.028584 Density= 0.216207 ETOT(band)= -0.232693 trlgG= -0.292207 logG= -0.028584 TDE= -0.171209 logGD-logG0= -0.004733 tlogG= -0.024007 logG= -0.028740 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004539 tlogG= -0.023973 logG= -0.028513 Density= 0.212806 ETOT(band)= -0.234322 trlgG= -0.293500 logG= -0.028513 TDE= -0.170852 Density= 0.321573 ETOT(band)= -0.351172 trlgG= -0.441351 logG= -0.028740 TDE= -0.171246 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023883 logG= -0.028762 Density= 0.213790 ETOT(band)= -0.234055 trlgG= -0.293015 logG= -0.028762 TDE= -0.170814 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024163 logG= -0.029168 logGD-logG0= -0.005141 tlogG= -0.022969 logG= -0.028110 Density= 0.216234 ETOT(band)= -0.232119 trlgG= -0.290592 logG= -0.028110 TDE= -0.170922 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322451 ETOT(band)= -0.351280 trlgG= -0.442027 logG= -0.029168 TDE= -0.171252 logGD-logG0= -0.010099 tlogG= -0.045631 logG= -0.055730 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324057 ETOT(band)= -0.348002 trlgG= -0.434973 logG= -0.055730 TDE= -0.341498 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.022440 logG= -0.027520 logGD-logG0= -0.004450 tlogG= -0.023588 logG= -0.028038 Density= 0.212614 ETOT(band)= -0.234046 trlgG= -0.292754 logG= -0.028038 TDE= -0.170715 Density= 0.216378 ETOT(band)= -0.231322 trlgG= -0.288606 logG= -0.027520 TDE= -0.170587 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023958 logG= -0.028997 Density= 0.214344 ETOT(band)= -0.234137 trlgG= -0.293921 logG= -0.028997 TDE= -0.171084 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010325 tlogG= -0.047789 logG= -0.058114 Density= 0.324365 ETOT(band)= -0.349965 trlgG= -0.441025 logG= -0.058114 TDE= -0.343072 logGD-logG0= -0.004395 tlogG= -0.023741 logG= -0.028136 Density= 0.213083 ETOT(band)= -0.233637 trlgG= -0.291777 logG= -0.028136 TDE= -0.170800 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004565 tlogG= -0.023891 logG= -0.028456 Density= 0.213280 ETOT(band)= -0.233910 trlgG= -0.292505 logG= -0.028456 TDE= -0.170803 logGD-logG0= -0.010372 tlogG= -0.047238 logG= -0.057610 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324147 ETOT(band)= -0.349599 trlgG= -0.439678 logG= -0.057610 TDE= -0.342680 logGD-logG0= -0.005210 tlogG= -0.024085 logG= -0.029294 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323075 ETOT(band)= -0.351250 trlgG= -0.442677 logG= -0.029294 TDE= -0.171445 logGD-logG0= -0.004700 tlogG= -0.024008 logG= -0.028708 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010370 tlogG= -0.046417 logG= -0.056787 logGD-logG0= -0.004645 tlogG= -0.023369 logG= -0.028013 Density= 0.321641 ETOT(band)= -0.350126 trlgG= -0.438775 logG= -0.028013 TDE= -0.170921 logGD-logG0= -0.004979 tlogG= -0.024158 logG= -0.029137 Density= 0.214124 ETOT(band)= -0.234130 trlgG= -0.294139 logG= -0.028708 TDE= -0.171251 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214747 ETOT(band)= -0.234208 trlgG= -0.294535 logG= -0.029137 TDE= -0.171257 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324010 ETOT(band)= -0.348944 trlgG= -0.437593 logG= -0.056787 TDE= -0.342122 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.023958 logG= -0.029099 Density= 0.216399 ETOT(band)= -0.233269 trlgG= -0.294118 logG= -0.029099 TDE= -0.171589 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010612 tlogG= -0.048043 logG= -0.058654 logGD-logG0= -0.004796 tlogG= -0.023838 logG= -0.028633 logGD-logG0= -0.004744 tlogG= -0.023246 logG= -0.027989 Density= 0.213498 ETOT(band)= -0.233663 trlgG= -0.292236 logG= -0.027989 TDE= -0.170765 Density= 0.323261 ETOT(band)= -0.351041 trlgG= -0.442373 logG= -0.058654 TDE= -0.343066 logGD-logG0= -0.005326 tlogG= -0.023900 logG= -0.029225 Density= 0.215654 ETOT(band)= -0.233796 trlgG= -0.294557 logG= -0.029225 TDE= -0.171455 Density= 0.213574 ETOT(band)= -0.234195 trlgG= -0.293752 logG= -0.028633 TDE= -0.171070 logGD-logG0= -0.004991 tlogG= -0.023245 logG= -0.028236 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321709 ETOT(band)= -0.350630 trlgG= -0.439626 logG= -0.028236 TDE= -0.170875 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009605 tlogG= -0.046607 logG= -0.056212 Density= 0.322713 ETOT(band)= -0.349075 trlgG= -0.436412 logG= -0.056212 TDE= -0.341651 logGD-logG0= -0.001569 tlogG= -0.006874 logG= -0.008443 Density= 0.040850 ETOT(band)= -0.042680 trlgG= -0.052797 logG= -0.008443 TDE= -0.056469 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.022906 logG= -0.027835 Density= 0.214800 ETOT(band)= -0.232443 trlgG= -0.289697 logG= -0.027835 TDE= -0.170452 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023195 logG= -0.028326 Density= 0.214872 ETOT(band)= -0.232996 trlgG= -0.291228 logG= -0.028326 TDE= -0.170640 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.023686 logG= -0.029060 Density= 0.215415 ETOT(band)= -0.233649 trlgG= -0.293860 logG= -0.029060 TDE= -0.171277 logGD-logG0= -0.004613 tlogG= -0.023372 logG= -0.027985 logGD-logG0= -0.008881 tlogG= -0.048098 logG= -0.056979 logGD-logG0= -0.010065 tlogG= -0.048151 logG= -0.058216 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214185 ETOT(band)= -0.233418 trlgG= -0.292346 logG= -0.027985 TDE= -0.170929 Density= 0.425528 ETOT(band)= -0.468444 trlgG= -0.586488 logG= -0.056979 TDE= -0.341820 Density= 0.429312 ETOT(band)= -0.468350 trlgG= -0.588631 logG= -0.058216 TDE= -0.342354 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023959 logG= -0.029270 logGD-logG0= -0.005397 tlogG= -0.023355 logG= -0.028752 Density= 0.215113 ETOT(band)= -0.233393 trlgG= -0.292721 logG= -0.028752 TDE= -0.170984 logGD-logG0= -0.001559 tlogG= -0.007589 logG= -0.009148 Density= 0.071497 ETOT(band)= -0.077363 trlgG= -0.096158 logG= -0.009148 TDE= -0.056744 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323675 ETOT(band)= -0.350712 trlgG= -0.442116 logG= -0.029270 TDE= -0.171503 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009371 tlogG= -0.046715 logG= -0.056086 logGD-logG0= -0.010199 tlogG= -0.048223 logG= -0.058422 logGD-logG0= -0.010234 tlogG= -0.047959 logG= -0.058193 Density= 0.429215 ETOT(band)= -0.468312 trlgG= -0.588278 logG= -0.058193 TDE= -0.342195 logGD-logG0= -0.009562 tlogG= -0.047842 logG= -0.057404 Density= 0.427892 ETOT(band)= -0.466223 trlgG= -0.581867 logG= -0.056086 TDE= -0.341261 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428043 ETOT(band)= -0.468245 trlgG= -0.587864 logG= -0.057404 TDE= -0.342307 logGD-logG0= -0.004869 tlogG= -0.021302 logG= -0.026170 Density= 0.162655 ETOT(band)= -0.173013 trlgG= -0.215918 logG= -0.026170 TDE= -0.169901 Density= 0.430052 ETOT(band)= -0.468350 trlgG= -0.589399 logG= -0.058422 TDE= -0.342570 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009425 tlogG= -0.046610 logG= -0.056034 Density= 0.428100 ETOT(band)= -0.466943 trlgG= -0.584472 logG= -0.056034 TDE= -0.341676 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009738 tlogG= -0.047856 logG= -0.057594 Density= 0.429146 ETOT(band)= -0.468015 trlgG= -0.587832 logG= -0.057594 TDE= -0.342294 logGD-logG0= -0.010577 tlogG= -0.047731 logG= -0.058308 Density= 0.430767 ETOT(band)= -0.467601 trlgG= -0.588354 logG= -0.058308 TDE= -0.342712 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.023763 logG= -0.028924 Density= 0.216288 ETOT(band)= -0.233071 trlgG= -0.293414 logG= -0.028924 TDE= -0.171448 logGD-logG0= -0.009573 tlogG= -0.047652 logG= -0.057225 Density= 0.426672 ETOT(band)= -0.468465 trlgG= -0.587003 logG= -0.057225 TDE= -0.341839 logGD-logG0= -0.010678 tlogG= -0.047696 logG= -0.058374 Density= 0.431109 ETOT(band)= -0.467543 trlgG= -0.588713 logG= -0.058374 TDE= -0.342818 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010176 tlogG= -0.047670 logG= -0.057847 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.048073 logG= -0.058482 Density= 0.428298 ETOT(band)= -0.468226 trlgG= -0.587195 logG= -0.057847 TDE= -0.341948 Density= 0.430158 ETOT(band)= -0.468180 trlgG= -0.589070 logG= -0.058482 TDE= -0.342695 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009527 tlogG= -0.047771 logG= -0.057297 Density= 0.427177 ETOT(band)= -0.468012 trlgG= -0.585853 logG= -0.057297 TDE= -0.341541 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009854 tlogG= -0.046403 logG= -0.056256 Density= 0.429538 ETOT(band)= -0.465644 trlgG= -0.581535 logG= -0.056256 TDE= -0.341372 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.048022 logG= -0.058624 Density= 0.431351 ETOT(band)= -0.467824 trlgG= -0.589705 logG= -0.058624 TDE= -0.343083 logGD-logG0= -0.010238 tlogG= -0.046932 logG= -0.057170 Density= 0.429890 ETOT(band)= -0.466556 trlgG= -0.584233 logG= -0.057170 TDE= -0.341663 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009919 tlogG= -0.047562 logG= -0.057480 Density= 0.428614 ETOT(band)= -0.467570 trlgG= -0.586233 logG= -0.057480 TDE= -0.341993 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.022328 logG= -0.027124 Density= 0.322879 ETOT(band)= -0.348045 trlgG= -0.434023 logG= -0.027124 TDE= -0.170269 logGD-logG0= -0.010637 tlogG= -0.047270 logG= -0.057906 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430495 ETOT(band)= -0.467178 trlgG= -0.586884 logG= -0.057906 TDE= -0.342328 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010162 tlogG= -0.047572 logG= -0.057734 Density= 0.430022 ETOT(band)= -0.467202 trlgG= -0.586162 logG= -0.057734 TDE= -0.342108 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005468 logG= -0.006683 Density= 0.081203 ETOT(band)= -0.086369 trlgG= -0.107371 logG= -0.006683 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001177 tlogG= -0.005171 logG= -0.006348 Density= 0.062540 ETOT(band)= -0.067558 trlgG= -0.084211 logG= -0.006348 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009890 tlogG= -0.044624 logG= -0.054514 Density= 0.324298 ETOT(band)= -0.346733 trlgG= -0.431962 logG= -0.054514 TDE= -0.340819 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001680 tlogG= -0.007117 logG= -0.008797 Density= 0.072232 ETOT(band)= -0.076492 trlgG= -0.094842 logG= -0.008797 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004755 tlogG= -0.022328 logG= -0.027083 Density= 0.215031 ETOT(band)= -0.231996 trlgG= -0.289097 logG= -0.027083 TDE= -0.170274 logGD-logG0= -0.004909 tlogG= -0.022293 logG= -0.027202 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214260 ETOT(band)= -0.232487 trlgG= -0.289453 logG= -0.027202 TDE= -0.170188 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.022475 logG= -0.027352 Density= 0.215025 ETOT(band)= -0.231707 trlgG= -0.288053 logG= -0.027352 TDE= -0.170201 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.021880 logG= -0.026921 Density= 0.216634 ETOT(band)= -0.230324 trlgG= -0.286488 logG= -0.026921 TDE= -0.170247 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004951 tlogG= -0.021351 logG= -0.026303 Density= 0.217028 ETOT(band)= -0.229215 trlgG= -0.284282 logG= -0.026303 TDE= -0.169915 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006503 Density= 0.081562 ETOT(band)= -0.085700 trlgG= -0.106210 logG= -0.006503 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009738 tlogG= -0.044627 logG= -0.054365 Density= 0.431617 ETOT(band)= -0.462165 trlgG= -0.574748 logG= -0.054365 TDE= -0.340457 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.021206 logG= -0.026116 Density= 0.216352 ETOT(band)= -0.230078 trlgG= -0.285541 logG= -0.026116 TDE= -0.169821 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.877833889792 eV TrLogG= -407.283509176120 eV Ratio to renormalize= 1.000006621296 rho-rho_expected=-0.000145667555 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964681205838067 0.940453961706170 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 Density= 0.035311 ETOT(band)= -0.039083 trlgG= -0.048970 logG= -0.009438 TDE= -0.057006 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004315 tlogG= -0.023974 logG= -0.028289 Density= 0.106165 ETOT(band)= -0.117140 trlgG= -0.146669 logG= -0.028289 TDE= -0.170916 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023499 logG= -0.028201 Density= 0.106771 ETOT(band)= -0.116829 trlgG= -0.145945 logG= -0.028201 TDE= -0.170579 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.022989 logG= -0.027664 Density= 0.106869 ETOT(band)= -0.116506 trlgG= -0.145198 logG= -0.027664 TDE= -0.170418 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010425 logG= -0.012811 Density= 0.054379 ETOT(band)= -0.057078 trlgG= -0.070689 logG= -0.012811 TDE= -0.084788 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 Density= 0.035843 ETOT(band)= -0.038581 trlgG= -0.047907 logG= -0.008983 TDE= -0.056661 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004869 tlogG= -0.021563 logG= -0.026432 Density= 0.108516 ETOT(band)= -0.114890 trlgG= -0.142815 logG= -0.026432 TDE= -0.170083 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021694 logG= -0.026669 Density= 0.107932 ETOT(band)= -0.115355 trlgG= -0.143249 logG= -0.026669 TDE= -0.169990 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014192 Density= 0.053561 ETOT(band)= -0.058408 trlgG= -0.073261 logG= -0.014192 TDE= -0.085574 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014485 Density= 0.053584 ETOT(band)= -0.058552 trlgG= -0.073623 logG= -0.014485 TDE= -0.085654 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053763 ETOT(band)= -0.058540 trlgG= -0.073680 logG= -0.014618 TDE= -0.085667 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002316 tlogG= -0.011448 logG= -0.013763 Density= 0.053736 ETOT(band)= -0.058077 trlgG= -0.072496 logG= -0.013763 TDE= -0.085325 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035491 ETOT(band)= -0.038931 trlgG= -0.048605 logG= -0.009286 TDE= -0.056882 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.023430 logG= -0.028542 logGD-logG0= -0.005070 tlogG= -0.022982 logG= -0.028052 Density= 0.108137 ETOT(band)= -0.116120 trlgG= -0.145500 logG= -0.028052 TDE= -0.170960 Density= 0.108133 ETOT(band)= -0.116390 trlgG= -0.146275 logG= -0.028542 TDE= -0.171243 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.022456 logG= -0.027459 Density= 0.108205 ETOT(band)= -0.115747 trlgG= -0.144553 logG= -0.027459 TDE= -0.170640 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011984 logG= -0.014525 Density= 0.054139 ETOT(band)= -0.058301 trlgG= -0.073542 logG= -0.014525 TDE= -0.085807 logGD-logG0= -0.005103 tlogG= -0.023949 logG= -0.029053 Density= 0.108231 ETOT(band)= -0.116626 trlgG= -0.147089 logG= -0.029053 TDE= -0.171594 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023763 logG= -0.028880 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108180 ETOT(band)= -0.116552 trlgG= -0.146811 logG= -0.028880 TDE= -0.171464 logGD-logG0= -0.005246 tlogG= -0.024070 logG= -0.029316 Density= 0.107644 ETOT(band)= -0.117080 trlgG= -0.147505 logG= -0.029316 TDE= -0.171457 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024045 logG= -0.028557 Density= 0.106385 ETOT(band)= -0.117171 trlgG= -0.146790 logG= -0.028557 TDE= -0.170878 logGD-logG0= -0.004288 tlogG= -0.024051 logG= -0.028339 Density= 0.106113 ETOT(band)= -0.117184 trlgG= -0.146783 logG= -0.028339 TDE= -0.170953 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.011988 logG= -0.014598 Density= 0.053984 ETOT(band)= -0.058422 trlgG= -0.073664 logG= -0.014598 TDE= -0.085779 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.022168 logG= -0.027088 Density= 0.108361 ETOT(band)= -0.115441 trlgG= -0.143945 logG= -0.027088 TDE= -0.170479 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027794 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106733 ETOT(band)= -0.116638 trlgG= -0.145461 logG= -0.027794 TDE= -0.170484 logGD-logG0= -0.005288 tlogG= -0.024133 logG= -0.029420 logGD-logG0= -0.005279 tlogG= -0.023901 logG= -0.029180 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107753 ETOT(band)= -0.116946 trlgG= -0.147290 logG= -0.029180 TDE= -0.171432 logGD-logG0= -0.005254 tlogG= -0.023683 logG= -0.028937 Density= 0.107813 ETOT(band)= -0.117075 trlgG= -0.147694 logG= -0.029420 TDE= -0.171625 Density= 0.107231 ETOT(band)= -0.117016 trlgG= -0.146838 logG= -0.028937 TDE= -0.170964 logGD-logG0= -0.004965 tlogG= -0.023642 logG= -0.028608 Density= 0.106977 ETOT(band)= -0.116946 trlgG= -0.146288 logG= -0.028608 TDE= -0.170618 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004998 tlogG= -0.022733 logG= -0.027731 Density= 0.108251 ETOT(band)= -0.115884 trlgG= -0.144989 logG= -0.027731 TDE= -0.170826 logGD-logG0= -0.005091 tlogG= -0.023871 logG= -0.028961 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022849 logG= -0.027679 Density= 0.107748 ETOT(band)= -0.116105 trlgG= -0.144918 logG= -0.027679 TDE= -0.170558 logGD-logG0= -0.005255 tlogG= -0.024087 logG= -0.029341 Density= 0.108252 ETOT(band)= -0.116562 trlgG= -0.146940 logG= -0.028961 TDE= -0.171547 Density= 0.107890 ETOT(band)= -0.116987 trlgG= -0.147569 logG= -0.029341 TDE= -0.171616 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023668 logG= -0.028315 Density= 0.106595 ETOT(band)= -0.116976 trlgG= -0.146375 logG= -0.028315 TDE= -0.170809 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023604 logG= -0.028698 Density= 0.108206 ETOT(band)= -0.116436 trlgG= -0.146519 logG= -0.028698 TDE= -0.171367 logGD-logG0= -0.005078 tlogG= -0.022874 logG= -0.027952 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.023686 logG= -0.028361 Density= 0.106974 ETOT(band)= -0.116857 trlgG= -0.146479 logG= -0.028361 TDE= -0.171053 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023966 logG= -0.029163 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107445 ETOT(band)= -0.117067 trlgG= -0.147233 logG= -0.029163 TDE= -0.171239 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.024092 logG= -0.029053 Density= 0.107617 ETOT(band)= -0.116310 trlgG= -0.145330 logG= -0.027952 TDE= -0.170632 Density= 0.107380 ETOT(band)= -0.117047 trlgG= -0.147127 logG= -0.029053 TDE= -0.171212 logGD-logG0= -0.004979 tlogG= -0.022407 logG= -0.027386 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107634 ETOT(band)= -0.115977 trlgG= -0.144434 logG= -0.027386 TDE= -0.170311 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.024069 logG= -0.028917 logGD-logG0= -0.004871 tlogG= -0.023892 logG= -0.028763 Density= 0.106755 ETOT(band)= -0.117129 trlgG= -0.146901 logG= -0.028763 TDE= -0.170966 Density= 0.107056 ETOT(band)= -0.117109 trlgG= -0.147155 logG= -0.028917 TDE= -0.171215 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.023215 logG= -0.028278 Density= 0.108196 ETOT(band)= -0.116213 trlgG= -0.145856 logG= -0.028278 TDE= -0.171119 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023687 logG= -0.028485 Density= 0.107379 ETOT(band)= -0.116736 trlgG= -0.146386 logG= -0.028485 TDE= -0.171038 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023195 logG= -0.028464 Density= 0.107684 ETOT(band)= -0.116557 trlgG= -0.146140 logG= -0.028464 TDE= -0.170963 logGD-logG0= -0.004707 tlogG= -0.022851 logG= -0.027559 Density= 0.107296 ETOT(band)= -0.116252 trlgG= -0.145045 logG= -0.027559 TDE= -0.170582 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.048243 logG= -0.057961 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214403 ETOT(band)= -0.234176 trlgG= -0.294383 logG= -0.057961 TDE= -0.342519 logGD-logG0= -0.005241 tlogG= -0.023870 logG= -0.029110 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.024058 logG= -0.029288 Density= 0.107949 ETOT(band)= -0.116920 trlgG= -0.147480 logG= -0.029288 TDE= -0.171611 Density= 0.107917 ETOT(band)= -0.116814 trlgG= -0.147183 logG= -0.029110 TDE= -0.171476 logGD-logG0= -0.005278 tlogG= -0.023579 logG= -0.028857 Density= 0.107801 ETOT(band)= -0.116718 trlgG= -0.146769 logG= -0.028857 TDE= -0.171257 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009585 tlogG= -0.047159 logG= -0.056743 Density= 0.213764 ETOT(band)= -0.233773 trlgG= -0.292810 logG= -0.056743 TDE= -0.341848 logGD-logG0= -0.009404 tlogG= -0.045759 logG= -0.055164 Density= 0.215018 ETOT(band)= -0.232335 trlgG= -0.289991 logG= -0.055164 TDE= -0.341229 logGD-logG0= -0.009864 tlogG= -0.047900 logG= -0.057764 Density= 0.213968 ETOT(band)= -0.234216 trlgG= -0.294073 logG= -0.057764 TDE= -0.342191 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009043 tlogG= -0.047631 logG= -0.056673 Density= 0.212920 ETOT(band)= -0.234076 trlgG= -0.292883 logG= -0.056673 TDE= -0.341573 logGD-logG0= -0.009745 tlogG= -0.047154 logG= -0.056899 Density= 0.213776 ETOT(band)= -0.233817 trlgG= -0.292602 logG= -0.056899 TDE= -0.341489 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.047930 logG= -0.057402 Density= 0.213269 ETOT(band)= -0.234283 trlgG= -0.293527 logG= -0.057402 TDE= -0.341661 logGD-logG0= -0.010440 tlogG= -0.047746 logG= -0.058186 Density= 0.214759 ETOT(band)= -0.234098 trlgG= -0.294218 logG= -0.058186 TDE= -0.342306 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.047786 logG= -0.058090 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.047979 logG= -0.058222 Density= 0.215077 ETOT(band)= -0.234006 trlgG= -0.294312 logG= -0.058222 TDE= -0.342520 Density= 0.214658 ETOT(band)= -0.234093 trlgG= -0.294049 logG= -0.058090 TDE= -0.342183 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010395 tlogG= -0.048081 logG= -0.058475 Density= 0.215074 ETOT(band)= -0.234151 trlgG= -0.294728 logG= -0.058475 TDE= -0.342682 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009357 tlogG= -0.047447 logG= -0.056804 Density= 0.214311 ETOT(band)= -0.233602 trlgG= -0.292939 logG= -0.056804 TDE= -0.342187 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008604 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.036197 ETOT(band)= -0.038131 trlgG= -0.047245 logG= -0.008604 TDE= -0.056553 logGD-logG0= -0.010476 tlogG= -0.048014 logG= -0.058490 Density= 0.215111 ETOT(band)= -0.234142 trlgG= -0.294755 logG= -0.058490 TDE= -0.342713 logGD-logG0= -0.009987 tlogG= -0.048028 logG= -0.058016 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214533 ETOT(band)= -0.234122 trlgG= -0.294132 logG= -0.058016 TDE= -0.342278 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.045649 logG= -0.055437 Density= 0.215151 ETOT(band)= -0.232410 trlgG= -0.289982 logG= -0.055437 TDE= -0.341012 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010457 tlogG= -0.047941 logG= -0.058398 Density= 0.215902 ETOT(band)= -0.233711 trlgG= -0.294660 logG= -0.058398 TDE= -0.343101 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010105 tlogG= -0.047659 logG= -0.057764 logGD-logG0= -0.010332 tlogG= -0.047308 logG= -0.057640 Density= 0.213949 ETOT(band)= -0.234203 trlgG= -0.293825 logG= -0.057764 TDE= -0.341934 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214262 ETOT(band)= -0.233995 trlgG= -0.293301 logG= -0.057640 TDE= -0.341689 logGD-logG0= -0.010102 tlogG= -0.046411 logG= -0.056513 logGD-logG0= -0.010498 tlogG= -0.047421 logG= -0.057919 logGD-logG0= -0.010532 tlogG= -0.047528 logG= -0.058060 Density= 0.215705 ETOT(band)= -0.233595 trlgG= -0.294098 logG= -0.058060 TDE= -0.342780 Density= 0.215472 ETOT(band)= -0.233637 trlgG= -0.293859 logG= -0.057919 TDE= -0.342566 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215218 ETOT(band)= -0.232971 trlgG= -0.291616 logG= -0.056513 TDE= -0.341603 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.048145 logG= -0.058734 logGD-logG0= -0.010541 tlogG= -0.046878 logG= -0.057419 Density= 0.215433 ETOT(band)= -0.233360 trlgG= -0.293058 logG= -0.057419 TDE= -0.342246 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215429 ETOT(band)= -0.234166 trlgG= -0.295192 logG= -0.058734 TDE= -0.343063 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010512 tlogG= -0.047889 logG= -0.058401 Density= 0.215773 ETOT(band)= -0.233784 trlgG= -0.294663 logG= -0.058401 TDE= -0.343037 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009712 tlogG= -0.047224 logG= -0.056936 Density= 0.214478 ETOT(band)= -0.233562 trlgG= -0.292711 logG= -0.056936 TDE= -0.341910 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009684 tlogG= -0.045590 logG= -0.055274 Density= 0.214361 ETOT(band)= -0.232688 trlgG= -0.290171 logG= -0.055274 TDE= -0.340974 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010841 logG= -0.013286 Density= 0.054064 ETOT(band)= -0.057596 trlgG= -0.071537 logG= -0.013286 TDE= -0.085004 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010013 tlogG= -0.047151 logG= -0.057165 Density= 0.215154 ETOT(band)= -0.233372 trlgG= -0.292633 logG= -0.057165 TDE= -0.341937 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.021874 logG= -0.026829 Density= 0.108325 ETOT(band)= -0.115258 trlgG= -0.143496 logG= -0.026829 TDE= -0.170272 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004788 tlogG= -0.020988 logG= -0.025775 Density= 0.108712 ETOT(band)= -0.114302 trlgG= -0.141658 logG= -0.025775 TDE= -0.169679 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021817 logG= -0.026852 Density= 0.107788 ETOT(band)= -0.115549 trlgG= -0.143559 logG= -0.026852 TDE= -0.170046 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009944 tlogG= -0.043388 logG= -0.053333 Density= 0.216280 ETOT(band)= -0.230499 trlgG= -0.286472 logG= -0.053333 TDE= -0.340166 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004451 tlogG= -0.023586 logG= -0.028037 Density= 0.212612 ETOT(band)= -0.234036 trlgG= -0.292740 logG= -0.028037 TDE= -0.170709 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005171 logG= -0.006348 Density= 0.062540 ETOT(band)= -0.067555 trlgG= -0.084207 logG= -0.006348 TDE= -0.042363 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004565 tlogG= -0.023890 logG= -0.028455 Density= 0.213277 ETOT(band)= -0.233900 trlgG= -0.292492 logG= -0.028455 TDE= -0.170797 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 Density= 0.071496 ETOT(band)= -0.077359 trlgG= -0.096154 logG= -0.009148 TDE= -0.056742 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005307 logG= -0.006502 Density= 0.081560 ETOT(band)= -0.085697 trlgG= -0.106206 logG= -0.006502 TDE= -0.042465 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005042 tlogG= -0.021878 logG= -0.026920 Density= 0.216631 ETOT(band)= -0.230315 trlgG= -0.286476 logG= -0.026920 TDE= -0.170241 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.022292 logG= -0.027201 Density= 0.214257 ETOT(band)= -0.232478 trlgG= -0.289440 logG= -0.027201 TDE= -0.170181 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004911 tlogG= -0.021205 logG= -0.026116 Density= 0.216348 ETOT(band)= -0.230069 trlgG= -0.285529 logG= -0.026116 TDE= -0.169815 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005748 logG= -0.006996 Density= 0.080637 ETOT(band)= -0.087409 trlgG= -0.109609 logG= -0.006996 TDE= -0.042750 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 Density= 0.080833 ETOT(band)= -0.087658 trlgG= -0.110361 logG= -0.007207 TDE= -0.042870 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080649 ETOT(band)= -0.087624 trlgG= -0.110164 logG= -0.007119 TDE= -0.042815 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.007965 logG= -0.009386 Density= 0.070864 ETOT(band)= -0.077964 trlgG= -0.097453 logG= -0.009386 TDE= -0.056967 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080838 ETOT(band)= -0.086980 trlgG= -0.108606 logG= -0.006847 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004262 tlogG= -0.024131 logG= -0.028393 Density= 0.212163 ETOT(band)= -0.234418 trlgG= -0.293689 logG= -0.028393 TDE= -0.170992 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.024001 logG= -0.029186 Density= 0.215691 ETOT(band)= -0.233884 trlgG= -0.294817 logG= -0.029186 TDE= -0.171592 logGD-logG0= -0.001266 tlogG= -0.005983 logG= -0.007250 Density= 0.081063 ETOT(band)= -0.087560 trlgG= -0.110413 logG= -0.007250 TDE= -0.042900 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004395 tlogG= -0.023740 logG= -0.028135 Density= 0.213081 ETOT(band)= -0.233626 trlgG= -0.291764 logG= -0.028135 TDE= -0.170794 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023799 logG= -0.029018 Density= 0.215338 ETOT(band)= -0.233792 trlgG= -0.294162 logG= -0.029018 TDE= -0.171440 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023999 logG= -0.029148 Density= 0.216361 ETOT(band)= -0.233364 trlgG= -0.294339 logG= -0.029148 TDE= -0.171610 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.022905 logG= -0.027834 logGD-logG0= -0.004734 tlogG= -0.024005 logG= -0.028739 logGD-logG0= -0.005214 tlogG= -0.023481 logG= -0.028695 Density= 0.321568 ETOT(band)= -0.351158 trlgG= -0.441331 logG= -0.028739 TDE= -0.171240 Density= 0.215218 ETOT(band)= -0.233358 trlgG= -0.292900 logG= -0.028695 TDE= -0.171183 Density= 0.214797 ETOT(band)= -0.232434 trlgG= -0.289685 logG= -0.027834 TDE= -0.170446 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023844 logG= -0.028881 logGD-logG0= -0.005279 tlogG= -0.024122 logG= -0.029401 Density= 0.215500 ETOT(band)= -0.233787 trlgG= -0.294267 logG= -0.028881 TDE= -0.171128 Density= 0.215724 ETOT(band)= -0.234040 trlgG= -0.295232 logG= -0.029401 TDE= -0.171625 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023956 logG= -0.028996 Density= 0.214341 ETOT(band)= -0.234128 trlgG= -0.293908 logG= -0.028996 TDE= -0.171078 logGD-logG0= -0.004540 tlogG= -0.023972 logG= -0.028512 Density= 0.212803 ETOT(band)= -0.234312 trlgG= -0.293486 logG= -0.028512 TDE= -0.170845 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.022967 logG= -0.028109 Density= 0.216230 ETOT(band)= -0.232110 trlgG= -0.290580 logG= -0.028109 TDE= -0.170915 logGD-logG0= -0.010100 tlogG= -0.045628 logG= -0.055728 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.047234 logG= -0.057609 Density= 0.324141 ETOT(band)= -0.349586 trlgG= -0.439659 logG= -0.057609 TDE= -0.342667 Density= 0.324051 ETOT(band)= -0.347988 trlgG= -0.434955 logG= -0.055728 TDE= -0.341485 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.022438 logG= -0.027519 Density= 0.216375 ETOT(band)= -0.231313 trlgG= -0.288594 logG= -0.027519 TDE= -0.170581 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010613 tlogG= -0.048039 logG= -0.058652 logGD-logG0= -0.004645 tlogG= -0.023367 logG= -0.028012 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323255 ETOT(band)= -0.351027 trlgG= -0.442354 logG= -0.058652 TDE= -0.343053 Density= 0.321636 ETOT(band)= -0.350111 trlgG= -0.438755 logG= -0.028012 TDE= -0.170915 logGD-logG0= -0.005142 tlogG= -0.023956 logG= -0.029098 Density= 0.216395 ETOT(band)= -0.233260 trlgG= -0.294106 logG= -0.029098 TDE= -0.171583 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023882 logG= -0.028761 logGD-logG0= -0.010328 tlogG= -0.047785 logG= -0.058113 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213786 ETOT(band)= -0.234045 trlgG= -0.293002 logG= -0.028761 TDE= -0.170807 Density= 0.324359 ETOT(band)= -0.349952 trlgG= -0.441007 logG= -0.058113 TDE= -0.343059 logGD-logG0= -0.010373 tlogG= -0.046413 logG= -0.056786 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324004 ETOT(band)= -0.348931 trlgG= -0.437574 logG= -0.056786 TDE= -0.342110 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.024156 logG= -0.029136 Density= 0.214744 ETOT(band)= -0.234198 trlgG= -0.294522 logG= -0.029136 TDE= -0.171250 logGD-logG0= -0.005211 tlogG= -0.024083 logG= -0.029294 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323069 ETOT(band)= -0.351236 trlgG= -0.442658 logG= -0.029294 TDE= -0.171438 logGD-logG0= -0.004744 tlogG= -0.023244 logG= -0.027989 Density= 0.213495 ETOT(band)= -0.233653 trlgG= -0.292223 logG= -0.027989 TDE= -0.170759 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023761 logG= -0.028924 Density= 0.216284 ETOT(band)= -0.233062 trlgG= -0.293402 logG= -0.028924 TDE= -0.171442 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024162 logG= -0.029167 logGD-logG0= -0.005312 tlogG= -0.023957 logG= -0.029269 Density= 0.323669 ETOT(band)= -0.350699 trlgG= -0.442097 logG= -0.029269 TDE= -0.171497 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322446 ETOT(band)= -0.351266 trlgG= -0.442008 logG= -0.029167 TDE= -0.171245 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.024006 logG= -0.028708 Density= 0.214121 ETOT(band)= -0.234120 trlgG= -0.294126 logG= -0.028708 TDE= -0.171245 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023898 logG= -0.029225 logGD-logG0= -0.004613 tlogG= -0.023370 logG= -0.027984 Density= 0.215650 ETOT(band)= -0.233787 trlgG= -0.294545 logG= -0.029225 TDE= -0.171448 Density= 0.214182 ETOT(band)= -0.233408 trlgG= -0.292333 logG= -0.027984 TDE= -0.170923 logGD-logG0= -0.009606 tlogG= -0.046604 logG= -0.056210 logGD-logG0= -0.004796 tlogG= -0.023836 logG= -0.028632 Density= 0.213571 ETOT(band)= -0.234185 trlgG= -0.293739 logG= -0.028632 TDE= -0.171063 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322708 ETOT(band)= -0.349061 trlgG= -0.436393 logG= -0.056210 TDE= -0.341638 logGD-logG0= -0.004991 tlogG= -0.023244 logG= -0.028235 Density= 0.321704 ETOT(band)= -0.350616 trlgG= -0.439606 logG= -0.028235 TDE= -0.170869 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023194 logG= -0.028325 Density= 0.214869 ETOT(band)= -0.232987 trlgG= -0.291215 logG= -0.028325 TDE= -0.170633 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023684 logG= -0.029059 Density= 0.215412 ETOT(band)= -0.233640 trlgG= -0.293848 logG= -0.029059 TDE= -0.171271 logGD-logG0= -0.009564 tlogG= -0.047838 logG= -0.057402 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428037 ETOT(band)= -0.468225 trlgG= -0.587838 logG= -0.057402 TDE= -0.342295 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.006874 logG= -0.008442 Density= 0.040849 ETOT(band)= -0.042678 trlgG= -0.052795 logG= -0.008442 TDE= -0.056467 logGD-logG0= -0.008882 tlogG= -0.048095 logG= -0.056977 logGD-logG0= -0.010236 tlogG= -0.047956 logG= -0.058191 Density= 0.429208 ETOT(band)= -0.468293 trlgG= -0.588252 logG= -0.058191 TDE= -0.342182 logGD-logG0= -0.005397 tlogG= -0.023354 logG= -0.028751 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.425522 ETOT(band)= -0.468423 trlgG= -0.586461 logG= -0.056977 TDE= -0.341807 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215110 ETOT(band)= -0.233384 trlgG= -0.292708 logG= -0.028751 TDE= -0.170977 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010067 tlogG= -0.048147 logG= -0.058214 Density= 0.429305 ETOT(band)= -0.468331 trlgG= -0.588606 logG= -0.058214 TDE= -0.342341 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009426 tlogG= -0.046606 logG= -0.056033 logGD-logG0= -0.010178 tlogG= -0.047667 logG= -0.057845 Density= 0.428094 ETOT(band)= -0.466923 trlgG= -0.584445 logG= -0.056033 TDE= -0.341664 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010410 tlogG= -0.048070 logG= -0.058480 Density= 0.428291 ETOT(band)= -0.468207 trlgG= -0.587169 logG= -0.057845 TDE= -0.341936 Density= 0.430151 ETOT(band)= -0.468162 trlgG= -0.589045 logG= -0.058480 TDE= -0.342682 logGD-logG0= -0.005169 tlogG= -0.023414 logG= -0.028583 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216203 ETOT(band)= -0.232684 trlgG= -0.292195 logG= -0.028583 TDE= -0.171203 logGD-logG0= -0.010579 tlogG= -0.047728 logG= -0.058306 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430759 ETOT(band)= -0.467583 trlgG= -0.588329 logG= -0.058306 TDE= -0.342699 logGD-logG0= -0.010200 tlogG= -0.048220 logG= -0.058420 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430044 ETOT(band)= -0.468332 trlgG= -0.589373 logG= -0.058420 TDE= -0.342557 logGD-logG0= -0.004870 tlogG= -0.021300 logG= -0.026170 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162652 ETOT(band)= -0.173006 trlgG= -0.215909 logG= -0.026170 TDE= -0.169895 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 logGD-logG0= -0.009573 tlogG= -0.047649 logG= -0.057223 Density= 0.426666 ETOT(band)= -0.468444 trlgG= -0.586976 logG= -0.057223 TDE= -0.341826 Density= 0.072231 ETOT(band)= -0.076489 trlgG= -0.094838 logG= -0.008797 TDE= -0.056628 logGD-logG0= -0.009739 tlogG= -0.047852 logG= -0.057592 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429139 ETOT(band)= -0.467996 trlgG= -0.587807 logG= -0.057592 TDE= -0.342281 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009527 tlogG= -0.047768 logG= -0.057295 logGD-logG0= -0.010680 tlogG= -0.047692 logG= -0.058372 Density= 0.427171 ETOT(band)= -0.467992 trlgG= -0.585826 logG= -0.057295 TDE= -0.341528 Density= 0.431101 ETOT(band)= -0.467525 trlgG= -0.588688 logG= -0.058372 TDE= -0.342805 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010605 tlogG= -0.048017 logG= -0.058622 logGD-logG0= -0.010239 tlogG= -0.046929 logG= -0.057169 Density= 0.431343 ETOT(band)= -0.467806 trlgG= -0.589680 logG= -0.058622 TDE= -0.343070 Density= 0.429883 ETOT(band)= -0.466538 trlgG= -0.584207 logG= -0.057169 TDE= -0.341650 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009855 tlogG= -0.046399 logG= -0.056255 Density= 0.429532 ETOT(band)= -0.465625 trlgG= -0.581509 logG= -0.056255 TDE= -0.341359 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004878 tlogG= -0.022473 logG= -0.027351 Density= 0.215022 ETOT(band)= -0.231698 trlgG= -0.288040 logG= -0.027351 TDE= -0.170195 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009920 tlogG= -0.047558 logG= -0.057479 Density= 0.428608 ETOT(band)= -0.467551 trlgG= -0.586207 logG= -0.057479 TDE= -0.341980 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010638 tlogG= -0.047267 logG= -0.057905 Density= 0.430487 ETOT(band)= -0.467160 trlgG= -0.586858 logG= -0.057905 TDE= -0.342315 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.022327 logG= -0.027123 Density= 0.322874 ETOT(band)= -0.348031 trlgG= -0.434004 logG= -0.027123 TDE= -0.170262 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010163 tlogG= -0.047569 logG= -0.057732 logGD-logG0= -0.009891 tlogG= -0.044621 logG= -0.054512 Density= 0.324292 ETOT(band)= -0.346719 trlgG= -0.431944 logG= -0.054512 TDE= -0.340807 Density= 0.430014 ETOT(band)= -0.467183 trlgG= -0.586136 logG= -0.057732 TDE= -0.342095 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009372 tlogG= -0.046712 logG= -0.056084 Density= 0.427886 ETOT(band)= -0.466203 trlgG= -0.581840 logG= -0.056084 TDE= -0.341248 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005468 logG= -0.006683 Density= 0.081201 ETOT(band)= -0.086366 trlgG= -0.107366 logG= -0.006683 TDE= -0.042576 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004952 tlogG= -0.021350 logG= -0.026302 Density= 0.217025 ETOT(band)= -0.229206 trlgG= -0.284271 logG= -0.026302 TDE= -0.169909 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004756 tlogG= -0.022326 logG= -0.027082 Density= 0.215028 ETOT(band)= -0.231987 trlgG= -0.289085 logG= -0.027082 TDE= -0.170268 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009739 tlogG= -0.044624 logG= -0.054363 Density= 0.431610 ETOT(band)= -0.462146 trlgG= -0.574723 logG= -0.054363 TDE= -0.340444 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.864638362946 eV TrLogG= -407.263375401372 eV Ratio to renormalize= 1.000022757511 rho-rho_expected=-0.000500653847 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964667827445684 0.940449122371786 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002308 tlogG= -0.011883 logG= -0.014192 Density= 0.053562 ETOT(band)= -0.058410 trlgG= -0.073262 logG= -0.014192 TDE= -0.085576 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014485 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 Density= 0.053764 ETOT(band)= -0.058541 trlgG= -0.073681 logG= -0.014618 TDE= -0.085669 Density= 0.053585 ETOT(band)= -0.058553 trlgG= -0.073624 logG= -0.014485 TDE= -0.085655 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002315 tlogG= -0.011448 logG= -0.013763 Density= 0.053737 ETOT(band)= -0.058078 trlgG= -0.072498 logG= -0.013763 TDE= -0.085326 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023605 logG= -0.028698 Density= 0.108207 ETOT(band)= -0.116438 trlgG= -0.146522 logG= -0.028698 TDE= -0.171370 logGD-logG0= -0.005090 tlogG= -0.023871 logG= -0.028961 logGD-logG0= -0.005253 tlogG= -0.023684 logG= -0.028937 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107232 ETOT(band)= -0.117018 trlgG= -0.146841 logG= -0.028937 TDE= -0.170968 Density= 0.108253 ETOT(band)= -0.116564 trlgG= -0.146942 logG= -0.028961 TDE= -0.171550 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.023642 logG= -0.028608 Density= 0.106978 ETOT(band)= -0.116948 trlgG= -0.146291 logG= -0.028608 TDE= -0.170622 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048606 logG= -0.009286 TDE= -0.056883 logGD-logG0= -0.004675 tlogG= -0.023687 logG= -0.028362 Density= 0.106975 ETOT(band)= -0.116860 trlgG= -0.146482 logG= -0.028362 TDE= -0.171057 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023668 logG= -0.028315 Density= 0.106596 ETOT(band)= -0.116979 trlgG= -0.146378 logG= -0.028315 TDE= -0.170812 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.023892 logG= -0.028763 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 Density= 0.035311 ETOT(band)= -0.039084 trlgG= -0.048971 logG= -0.009438 TDE= -0.057007 Density= 0.106756 ETOT(band)= -0.117132 trlgG= -0.146904 logG= -0.028763 TDE= -0.170969 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023870 logG= -0.029110 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107919 ETOT(band)= -0.116816 trlgG= -0.147186 logG= -0.029110 TDE= -0.171479 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.022852 logG= -0.027559 Density= 0.107297 ETOT(band)= -0.116254 trlgG= -0.145048 logG= -0.027559 TDE= -0.170585 logGD-logG0= -0.005111 tlogG= -0.023430 logG= -0.028541 logGD-logG0= -0.005116 tlogG= -0.023764 logG= -0.028879 Density= 0.108181 ETOT(band)= -0.116554 trlgG= -0.146813 logG= -0.028879 TDE= -0.171467 Density= 0.108134 ETOT(band)= -0.116392 trlgG= -0.146277 logG= -0.028541 TDE= -0.171246 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004288 tlogG= -0.024051 logG= -0.028340 logGD-logG0= -0.002541 tlogG= -0.011984 logG= -0.014525 logGD-logG0= -0.002610 tlogG= -0.011988 logG= -0.014598 Density= 0.053984 ETOT(band)= -0.058423 trlgG= -0.073665 logG= -0.014598 TDE= -0.085781 Density= 0.106113 ETOT(band)= -0.117187 trlgG= -0.146786 logG= -0.028340 TDE= -0.170957 Density= 0.054139 ETOT(band)= -0.058302 trlgG= -0.073543 logG= -0.014525 TDE= -0.085809 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.024071 logG= -0.029316 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.022457 logG= -0.027459 Density= 0.107645 ETOT(band)= -0.117083 trlgG= -0.147508 logG= -0.029316 TDE= -0.171460 Density= 0.108206 ETOT(band)= -0.115750 trlgG= -0.144555 logG= -0.027459 TDE= -0.170643 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024046 logG= -0.028557 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106386 ETOT(band)= -0.117173 trlgG= -0.146794 logG= -0.028557 TDE= -0.170881 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022849 logG= -0.027679 logGD-logG0= -0.004919 tlogG= -0.022169 logG= -0.027088 Density= 0.108362 ETOT(band)= -0.115443 trlgG= -0.143947 logG= -0.027088 TDE= -0.170482 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009745 tlogG= -0.047155 logG= -0.056899 Density= 0.213777 ETOT(band)= -0.233822 trlgG= -0.292608 logG= -0.056899 TDE= -0.341496 logGD-logG0= -0.004588 tlogG= -0.023205 logG= -0.027794 Density= 0.106734 ETOT(band)= -0.116641 trlgG= -0.145464 logG= -0.027794 TDE= -0.170488 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107749 ETOT(band)= -0.116107 trlgG= -0.144920 logG= -0.027679 TDE= -0.170561 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.022982 logG= -0.028052 logGD-logG0= -0.004960 tlogG= -0.024092 logG= -0.029053 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004315 tlogG= -0.023974 logG= -0.028289 Density= 0.106165 ETOT(band)= -0.117143 trlgG= -0.146673 logG= -0.028289 TDE= -0.170919 Density= 0.108138 ETOT(band)= -0.116122 trlgG= -0.145503 logG= -0.028052 TDE= -0.170963 Density= 0.107381 ETOT(band)= -0.117049 trlgG= -0.147130 logG= -0.029053 TDE= -0.171215 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.023950 logG= -0.029053 logGD-logG0= -0.005254 tlogG= -0.024087 logG= -0.029341 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108232 ETOT(band)= -0.116628 trlgG= -0.147091 logG= -0.029053 TDE= -0.171597 logGD-logG0= -0.005287 tlogG= -0.024133 logG= -0.029420 Density= 0.107814 ETOT(band)= -0.117078 trlgG= -0.147697 logG= -0.029420 TDE= -0.171628 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107891 ETOT(band)= -0.116989 trlgG= -0.147571 logG= -0.029341 TDE= -0.171620 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023967 logG= -0.029163 Density= 0.107446 ETOT(band)= -0.117070 trlgG= -0.147235 logG= -0.029163 TDE= -0.171242 logGD-logG0= -0.005062 tlogG= -0.023215 logG= -0.028278 logGD-logG0= -0.004675 tlogG= -0.022990 logG= -0.027665 Density= 0.106870 ETOT(band)= -0.116509 trlgG= -0.145201 logG= -0.027665 TDE= -0.170422 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108198 ETOT(band)= -0.116215 trlgG= -0.145858 logG= -0.028278 TDE= -0.171122 logGD-logG0= -0.004978 tlogG= -0.022408 logG= -0.027386 Density= 0.107635 ETOT(band)= -0.115979 trlgG= -0.144437 logG= -0.027386 TDE= -0.170314 logGD-logG0= -0.005278 tlogG= -0.023901 logG= -0.029180 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107755 ETOT(band)= -0.116948 trlgG= -0.147292 logG= -0.029180 TDE= -0.171435 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.022875 logG= -0.027952 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004997 tlogG= -0.022733 logG= -0.027731 Density= 0.108252 ETOT(band)= -0.115886 trlgG= -0.144991 logG= -0.027731 TDE= -0.170829 Density= 0.107618 ETOT(band)= -0.116312 trlgG= -0.145333 logG= -0.027952 TDE= -0.170635 logGD-logG0= -0.004797 tlogG= -0.023688 logG= -0.028485 Density= 0.107380 ETOT(band)= -0.116739 trlgG= -0.146389 logG= -0.028485 TDE= -0.171041 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023500 logG= -0.028201 Density= 0.106772 ETOT(band)= -0.116831 trlgG= -0.145948 logG= -0.028201 TDE= -0.170583 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.024069 logG= -0.028917 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107057 ETOT(band)= -0.117112 trlgG= -0.147158 logG= -0.028917 TDE= -0.171218 logGD-logG0= -0.009788 tlogG= -0.045649 logG= -0.055437 Density= 0.215153 ETOT(band)= -0.232414 trlgG= -0.289987 logG= -0.055437 TDE= -0.341019 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023195 logG= -0.028464 Density= 0.107685 ETOT(band)= -0.116560 trlgG= -0.146142 logG= -0.028464 TDE= -0.170966 logGD-logG0= -0.005278 tlogG= -0.023580 logG= -0.028857 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107803 ETOT(band)= -0.116720 trlgG= -0.146771 logG= -0.028857 TDE= -0.171260 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021874 logG= -0.026828 logGD-logG0= -0.009717 tlogG= -0.048244 logG= -0.057961 Density= 0.214405 ETOT(band)= -0.234181 trlgG= -0.294389 logG= -0.057961 TDE= -0.342526 Density= 0.108326 ETOT(band)= -0.115260 trlgG= -0.143498 logG= -0.026828 TDE= -0.170275 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009584 tlogG= -0.047160 logG= -0.056743 Density= 0.213766 ETOT(band)= -0.233778 trlgG= -0.292816 logG= -0.056743 TDE= -0.341855 logGD-logG0= -0.009683 tlogG= -0.045591 logG= -0.055274 logGD-logG0= -0.009403 tlogG= -0.045760 logG= -0.055164 Density= 0.214363 ETOT(band)= -0.232693 trlgG= -0.290177 logG= -0.055274 TDE= -0.340980 logGD-logG0= -0.009042 tlogG= -0.047632 logG= -0.056674 Density= 0.212921 ETOT(band)= -0.234082 trlgG= -0.292889 logG= -0.056674 TDE= -0.341580 Density= 0.215020 ETOT(band)= -0.232340 trlgG= -0.289997 logG= -0.055164 TDE= -0.341236 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009863 tlogG= -0.047901 logG= -0.057764 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213970 ETOT(band)= -0.234221 trlgG= -0.294079 logG= -0.057764 TDE= -0.342198 logGD-logG0= -0.009356 tlogG= -0.047448 logG= -0.056804 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214313 ETOT(band)= -0.233607 trlgG= -0.292944 logG= -0.056804 TDE= -0.342193 logGD-logG0= -0.010439 tlogG= -0.047747 logG= -0.058186 Density= 0.214762 ETOT(band)= -0.234103 trlgG= -0.294224 logG= -0.058186 TDE= -0.342313 logGD-logG0= -0.009472 tlogG= -0.047931 logG= -0.057402 Density= 0.213271 ETOT(band)= -0.234288 trlgG= -0.293533 logG= -0.057402 TDE= -0.341668 logGD-logG0= -0.010242 tlogG= -0.047980 logG= -0.058222 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215079 ETOT(band)= -0.234010 trlgG= -0.294317 logG= -0.058222 TDE= -0.342527 logGD-logG0= -0.010394 tlogG= -0.048081 logG= -0.058475 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215077 ETOT(band)= -0.234155 trlgG= -0.294734 logG= -0.058475 TDE= -0.342689 logGD-logG0= -0.010475 tlogG= -0.048015 logG= -0.058490 logGD-logG0= -0.010588 tlogG= -0.048145 logG= -0.058733 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215431 ETOT(band)= -0.234170 trlgG= -0.295197 logG= -0.058733 TDE= -0.343069 Density= 0.215114 ETOT(band)= -0.234146 trlgG= -0.294761 logG= -0.058490 TDE= -0.342719 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.024059 logG= -0.029287 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107950 ETOT(band)= -0.116922 trlgG= -0.147482 logG= -0.029287 TDE= -0.171614 logGD-logG0= -0.001678 tlogG= -0.007305 logG= -0.008983 Density= 0.035844 ETOT(band)= -0.038581 trlgG= -0.047908 logG= -0.008983 TDE= -0.056662 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.047660 logG= -0.057764 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001612 tlogG= -0.006991 logG= -0.008604 Density= 0.036197 ETOT(band)= -0.038131 trlgG= -0.047246 logG= -0.008604 TDE= -0.056554 logGD-logG0= -0.010303 tlogG= -0.047787 logG= -0.058090 Density= 0.214660 ETOT(band)= -0.234097 trlgG= -0.294055 logG= -0.058090 TDE= -0.342189 logGD-logG0= -0.010455 tlogG= -0.047942 logG= -0.058398 Density= 0.213951 ETOT(band)= -0.234208 trlgG= -0.293831 logG= -0.057764 TDE= -0.341940 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010540 tlogG= -0.046878 logG= -0.057419 Density= 0.215436 ETOT(band)= -0.233365 trlgG= -0.293063 logG= -0.057419 TDE= -0.342253 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.047529 logG= -0.058059 logGD-logG0= -0.009986 tlogG= -0.048029 logG= -0.058016 Density= 0.214536 ETOT(band)= -0.234127 trlgG= -0.294137 logG= -0.058016 TDE= -0.342284 Density= 0.215707 ETOT(band)= -0.233599 trlgG= -0.294103 logG= -0.058059 TDE= -0.342787 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215904 ETOT(band)= -0.233715 trlgG= -0.294665 logG= -0.058398 TDE= -0.343108 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.046412 logG= -0.056513 Density= 0.215220 ETOT(band)= -0.232976 trlgG= -0.291621 logG= -0.056513 TDE= -0.341610 logGD-logG0= -0.002445 tlogG= -0.010841 logG= -0.013286 Density= 0.054064 ETOT(band)= -0.057598 trlgG= -0.071538 logG= -0.013286 TDE= -0.085006 logGD-logG0= -0.010498 tlogG= -0.047421 logG= -0.057919 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010426 logG= -0.012810 Density= 0.054380 ETOT(band)= -0.057079 trlgG= -0.070691 logG= -0.012810 TDE= -0.084790 Density= 0.215474 ETOT(band)= -0.233641 trlgG= -0.293864 logG= -0.057919 TDE= -0.342573 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010331 tlogG= -0.047308 logG= -0.057640 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214264 ETOT(band)= -0.234000 trlgG= -0.293307 logG= -0.057640 TDE= -0.341696 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009711 tlogG= -0.047225 logG= -0.056936 Density= 0.214480 ETOT(band)= -0.233567 trlgG= -0.292717 logG= -0.056936 TDE= -0.341916 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010510 tlogG= -0.047891 logG= -0.058401 Density= 0.215776 ETOT(band)= -0.233788 trlgG= -0.294668 logG= -0.058401 TDE= -0.343043 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.047152 logG= -0.057165 Density= 0.215156 ETOT(band)= -0.233377 trlgG= -0.292638 logG= -0.057165 TDE= -0.341944 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004868 tlogG= -0.021563 logG= -0.026432 Density= 0.108517 ETOT(band)= -0.114893 trlgG= -0.142818 logG= -0.026432 TDE= -0.170086 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005034 tlogG= -0.021818 logG= -0.026852 Density= 0.107789 ETOT(band)= -0.115551 trlgG= -0.143561 logG= -0.026852 TDE= -0.170049 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021695 logG= -0.026669 Density= 0.107933 ETOT(band)= -0.115358 trlgG= -0.143251 logG= -0.026669 TDE= -0.169993 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009943 tlogG= -0.043389 logG= -0.053332 Density= 0.216282 ETOT(band)= -0.230503 trlgG= -0.286477 logG= -0.053332 TDE= -0.340172 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004787 tlogG= -0.020988 logG= -0.025775 Density= 0.108714 ETOT(band)= -0.114304 trlgG= -0.141660 logG= -0.025775 TDE= -0.169682 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007250 Density= 0.081064 ETOT(band)= -0.087561 trlgG= -0.110415 logG= -0.007250 TDE= -0.042901 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007207 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080834 ETOT(band)= -0.087660 trlgG= -0.110363 logG= -0.007207 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080650 ETOT(band)= -0.087625 trlgG= -0.110166 logG= -0.007119 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080839 ETOT(band)= -0.086981 trlgG= -0.108608 logG= -0.006847 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.024157 logG= -0.029136 Density= 0.214746 ETOT(band)= -0.234203 trlgG= -0.294528 logG= -0.029136 TDE= -0.171254 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.023684 logG= -0.029059 Density= 0.215414 ETOT(band)= -0.233645 trlgG= -0.293853 logG= -0.029059 TDE= -0.171274 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008882 tlogG= -0.048096 logG= -0.056977 logGD-logG0= -0.009371 tlogG= -0.046713 logG= -0.056084 Density= 0.427889 ETOT(band)= -0.466213 trlgG= -0.581852 logG= -0.056084 TDE= -0.341255 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425525 ETOT(band)= -0.468434 trlgG= -0.586474 logG= -0.056977 TDE= -0.341814 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009573 tlogG= -0.047650 logG= -0.057223 Density= 0.426669 ETOT(band)= -0.468455 trlgG= -0.586989 logG= -0.057223 TDE= -0.341833 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005748 logG= -0.006996 Density= 0.080637 ETOT(band)= -0.087411 trlgG= -0.109611 logG= -0.006996 TDE= -0.042751 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.021300 logG= -0.026169 Density= 0.162654 ETOT(band)= -0.173009 trlgG= -0.215913 logG= -0.026169 TDE= -0.169898 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001420 tlogG= -0.007966 logG= -0.009386 Density= 0.070864 ETOT(band)= -0.077966 trlgG= -0.097456 logG= -0.009386 TDE= -0.056968 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023956 logG= -0.029098 Density= 0.216398 ETOT(band)= -0.233264 trlgG= -0.294111 logG= -0.029098 TDE= -0.171586 logGD-logG0= -0.004262 tlogG= -0.024132 logG= -0.028394 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005161 tlogG= -0.023762 logG= -0.028923 Density= 0.216287 ETOT(band)= -0.233067 trlgG= -0.293407 logG= -0.028923 TDE= -0.171445 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212164 ETOT(band)= -0.234424 trlgG= -0.293696 logG= -0.028394 TDE= -0.170996 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023898 logG= -0.029225 Density= 0.215653 ETOT(band)= -0.233791 trlgG= -0.294550 logG= -0.029225 TDE= -0.171452 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004395 tlogG= -0.023740 logG= -0.028135 Density= 0.213082 ETOT(band)= -0.233632 trlgG= -0.291770 logG= -0.028135 TDE= -0.170797 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023957 logG= -0.028996 Density= 0.214343 ETOT(band)= -0.234133 trlgG= -0.293914 logG= -0.028996 TDE= -0.171081 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023882 logG= -0.028761 logGD-logG0= -0.001569 tlogG= -0.006874 logG= -0.008442 Density= 0.040850 ETOT(band)= -0.042679 trlgG= -0.052796 logG= -0.008442 TDE= -0.056468 logGD-logG0= -0.004450 tlogG= -0.023587 logG= -0.028037 Density= 0.212613 ETOT(band)= -0.234041 trlgG= -0.292746 logG= -0.028037 TDE= -0.170713 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213788 ETOT(band)= -0.234050 trlgG= -0.293008 logG= -0.028761 TDE= -0.170811 logGD-logG0= -0.004565 tlogG= -0.023890 logG= -0.028455 Density= 0.213279 ETOT(band)= -0.233905 trlgG= -0.292498 logG= -0.028455 TDE= -0.170801 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005171 logG= -0.006348 Density= 0.062540 ETOT(band)= -0.067557 trlgG= -0.084209 logG= -0.006348 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.022905 logG= -0.027834 Density= 0.214798 ETOT(band)= -0.232439 trlgG= -0.289690 logG= -0.027834 TDE= -0.170449 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004744 tlogG= -0.023245 logG= -0.027989 Density= 0.213497 ETOT(band)= -0.233658 trlgG= -0.292229 logG= -0.027989 TDE= -0.170762 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004613 tlogG= -0.023371 logG= -0.027984 Density= 0.214184 ETOT(band)= -0.233413 trlgG= -0.292339 logG= -0.027984 TDE= -0.170926 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009527 tlogG= -0.047769 logG= -0.057296 Density= 0.427174 ETOT(band)= -0.468002 trlgG= -0.585838 logG= -0.057296 TDE= -0.341535 logGD-logG0= -0.009738 tlogG= -0.044625 logG= -0.054363 Density= 0.431614 ETOT(band)= -0.462156 trlgG= -0.574734 logG= -0.054363 TDE= -0.340451 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 Density= 0.071497 ETOT(band)= -0.077361 trlgG= -0.096156 logG= -0.009148 TDE= -0.056743 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023836 logG= -0.028632 Density= 0.213573 ETOT(band)= -0.234190 trlgG= -0.293745 logG= -0.028632 TDE= -0.171067 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024001 logG= -0.029186 Density= 0.215694 ETOT(band)= -0.233888 trlgG= -0.294822 logG= -0.029186 TDE= -0.171596 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023799 logG= -0.029018 Density= 0.215341 ETOT(band)= -0.233796 trlgG= -0.294168 logG= -0.029018 TDE= -0.171443 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009890 tlogG= -0.044621 logG= -0.054512 Density= 0.324295 ETOT(band)= -0.346726 trlgG= -0.431951 logG= -0.054512 TDE= -0.340813 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.024083 logG= -0.029294 Density= 0.323073 ETOT(band)= -0.351243 trlgG= -0.442666 logG= -0.029294 TDE= -0.171442 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009854 tlogG= -0.046400 logG= -0.056255 Density= 0.429535 ETOT(band)= -0.465635 trlgG= -0.581521 logG= -0.056255 TDE= -0.341366 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.023482 logG= -0.028695 Density= 0.215220 ETOT(band)= -0.233362 trlgG= -0.292905 logG= -0.028695 TDE= -0.171186 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004733 tlogG= -0.024006 logG= -0.028739 Density= 0.321571 ETOT(band)= -0.351165 trlgG= -0.441340 logG= -0.028739 TDE= -0.171243 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024122 logG= -0.029400 logGD-logG0= -0.005149 tlogG= -0.023999 logG= -0.029148 Density= 0.215727 ETOT(band)= -0.234044 trlgG= -0.295237 logG= -0.029400 TDE= -0.171628 Density= 0.216364 ETOT(band)= -0.233368 trlgG= -0.294343 logG= -0.029148 TDE= -0.171613 logGD-logG0= -0.010326 tlogG= -0.047786 logG= -0.058113 logGD-logG0= -0.001196 tlogG= -0.005307 logG= -0.006502 Density= 0.081561 ETOT(band)= -0.085698 trlgG= -0.106208 logG= -0.006502 TDE= -0.042465 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324363 ETOT(band)= -0.349958 trlgG= -0.441014 logG= -0.058113 TDE= -0.343066 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.022439 logG= -0.027519 logGD-logG0= -0.005005 tlogG= -0.024162 logG= -0.029167 logGD-logG0= -0.004539 tlogG= -0.023972 logG= -0.028512 Density= 0.212805 ETOT(band)= -0.234317 trlgG= -0.293493 logG= -0.028512 TDE= -0.170849 Density= 0.322449 ETOT(band)= -0.351273 trlgG= -0.442016 logG= -0.029167 TDE= -0.171249 Density= 0.216377 ETOT(band)= -0.231317 trlgG= -0.288599 logG= -0.027519 TDE= -0.170584 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010373 tlogG= -0.047235 logG= -0.057608 Density= 0.324144 ETOT(band)= -0.349592 trlgG= -0.439667 logG= -0.057608 TDE= -0.342674 logGD-logG0= -0.005168 tlogG= -0.023415 logG= -0.028583 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216206 ETOT(band)= -0.232688 trlgG= -0.292200 logG= -0.028583 TDE= -0.171206 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004645 tlogG= -0.023367 logG= -0.028012 Density= 0.321639 ETOT(band)= -0.350118 trlgG= -0.438764 logG= -0.028012 TDE= -0.170918 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010099 tlogG= -0.045629 logG= -0.055728 logGD-logG0= -0.005036 tlogG= -0.023845 logG= -0.028881 Density= 0.324054 ETOT(band)= -0.347995 trlgG= -0.434963 logG= -0.055728 TDE= -0.341492 Density= 0.215503 ETOT(band)= -0.233791 trlgG= -0.294272 logG= -0.028881 TDE= -0.171131 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004909 tlogG= -0.022292 logG= -0.027201 Density= 0.214259 ETOT(band)= -0.232483 trlgG= -0.289446 logG= -0.027201 TDE= -0.170185 logGD-logG0= -0.004991 tlogG= -0.023244 logG= -0.028235 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005141 tlogG= -0.022968 logG= -0.028109 Density= 0.321707 ETOT(band)= -0.350623 trlgG= -0.439615 logG= -0.028235 TDE= -0.170872 Density= 0.216233 ETOT(band)= -0.232115 trlgG= -0.290584 logG= -0.028109 TDE= -0.170919 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010612 tlogG= -0.048040 logG= -0.058652 logGD-logG0= -0.009605 tlogG= -0.046605 logG= -0.056210 Density= 0.322711 ETOT(band)= -0.349068 trlgG= -0.436401 logG= -0.056210 TDE= -0.341645 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323258 ETOT(band)= -0.351034 trlgG= -0.442362 logG= -0.058652 TDE= -0.343059 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001680 tlogG= -0.007117 logG= -0.008797 Density= 0.072232 ETOT(band)= -0.076491 trlgG= -0.094840 logG= -0.008797 TDE= -0.056629 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004701 tlogG= -0.024007 logG= -0.028708 logGD-logG0= -0.004878 tlogG= -0.022473 logG= -0.027351 Density= 0.215023 ETOT(band)= -0.231703 trlgG= -0.288046 logG= -0.027351 TDE= -0.170198 Density= 0.214123 ETOT(band)= -0.234125 trlgG= -0.294132 logG= -0.028708 TDE= -0.171248 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023958 logG= -0.029269 Density= 0.323672 ETOT(band)= -0.350705 trlgG= -0.442105 logG= -0.029269 TDE= -0.171500 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023194 logG= -0.028325 Density= 0.214871 ETOT(band)= -0.232991 trlgG= -0.291220 logG= -0.028325 TDE= -0.170637 logGD-logG0= -0.010371 tlogG= -0.046414 logG= -0.056785 Density= 0.324008 ETOT(band)= -0.348937 trlgG= -0.437582 logG= -0.056785 TDE= -0.342116 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009563 tlogG= -0.047839 logG= -0.057402 Density= 0.428040 ETOT(band)= -0.468235 trlgG= -0.587850 logG= -0.057402 TDE= -0.342301 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023354 logG= -0.028751 Density= 0.215112 ETOT(band)= -0.233389 trlgG= -0.292714 logG= -0.028751 TDE= -0.170981 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010066 tlogG= -0.048148 logG= -0.058214 Density= 0.429309 ETOT(band)= -0.468340 trlgG= -0.588617 logG= -0.058214 TDE= -0.342348 logGD-logG0= -0.010199 tlogG= -0.048221 logG= -0.058420 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430049 ETOT(band)= -0.468341 trlgG= -0.589384 logG= -0.058420 TDE= -0.342564 logGD-logG0= -0.004756 tlogG= -0.022327 logG= -0.027082 Density= 0.215030 ETOT(band)= -0.231992 trlgG= -0.289090 logG= -0.027082 TDE= -0.170271 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009425 tlogG= -0.046607 logG= -0.056032 Density= 0.428097 ETOT(band)= -0.466933 trlgG= -0.584457 logG= -0.056032 TDE= -0.341670 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010409 tlogG= -0.048070 logG= -0.058480 Density= 0.430155 ETOT(band)= -0.468171 trlgG= -0.589055 logG= -0.058480 TDE= -0.342689 logGD-logG0= -0.010235 tlogG= -0.047956 logG= -0.058191 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429212 ETOT(band)= -0.468302 trlgG= -0.588264 logG= -0.058191 TDE= -0.342188 logGD-logG0= -0.010679 tlogG= -0.047693 logG= -0.058372 Density= 0.431105 ETOT(band)= -0.467533 trlgG= -0.588698 logG= -0.058372 TDE= -0.342812 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010578 tlogG= -0.047728 logG= -0.058306 Density= 0.430764 ETOT(band)= -0.467592 trlgG= -0.588340 logG= -0.058306 TDE= -0.342705 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009739 tlogG= -0.047853 logG= -0.057592 Density= 0.429143 ETOT(band)= -0.468006 trlgG= -0.587818 logG= -0.057592 TDE= -0.342288 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010177 tlogG= -0.047668 logG= -0.057845 Density= 0.428295 ETOT(band)= -0.468217 trlgG= -0.587181 logG= -0.057845 TDE= -0.341942 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009919 tlogG= -0.047559 logG= -0.057479 Density= 0.428612 ETOT(band)= -0.467561 trlgG= -0.586219 logG= -0.057479 TDE= -0.341987 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010238 tlogG= -0.046930 logG= -0.057169 Density= 0.429887 ETOT(band)= -0.466547 trlgG= -0.584218 logG= -0.057169 TDE= -0.341657 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010637 tlogG= -0.047267 logG= -0.057905 Density= 0.430492 ETOT(band)= -0.467169 trlgG= -0.586869 logG= -0.057905 TDE= -0.342321 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.021879 logG= -0.026920 Density= 0.216633 ETOT(band)= -0.230320 trlgG= -0.286481 logG= -0.026920 TDE= -0.170244 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010603 tlogG= -0.048019 logG= -0.058622 Density= 0.431348 ETOT(band)= -0.467815 trlgG= -0.589691 logG= -0.058622 TDE= -0.343077 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.022327 logG= -0.027123 Density= 0.322877 ETOT(band)= -0.348038 trlgG= -0.434012 logG= -0.027123 TDE= -0.170266 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010162 tlogG= -0.047570 logG= -0.057732 Density= 0.430019 ETOT(band)= -0.467192 trlgG= -0.586147 logG= -0.057732 TDE= -0.342102 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005468 logG= -0.006683 Density= 0.081202 ETOT(band)= -0.086367 trlgG= -0.107368 logG= -0.006683 TDE= -0.042577 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.021205 logG= -0.026115 Density= 0.216350 ETOT(band)= -0.230074 trlgG= -0.285534 logG= -0.026115 TDE= -0.169818 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004952 tlogG= -0.021350 logG= -0.026302 Density= 0.217027 ETOT(band)= -0.229211 trlgG= -0.284275 logG= -0.026302 TDE= -0.169912 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.871129287221 eV TrLogG= -407.272455313194 eV Ratio to renormalize= 1.000013171913 rho-rho_expected=-0.000289778266 nargs= 1 argi=dmft2.def 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964700411154605 0.940482239071043 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002308 tlogG= -0.011883 logG= -0.014192 Density= 0.053562 ETOT(band)= -0.058409 trlgG= -0.073262 logG= -0.014192 TDE= -0.085575 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.022169 logG= -0.027088 Density= 0.108362 ETOT(band)= -0.115442 trlgG= -0.143946 logG= -0.027088 TDE= -0.170481 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023683 logG= -0.028937 Density= 0.107232 ETOT(band)= -0.117017 trlgG= -0.146839 logG= -0.028937 TDE= -0.170966 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024045 logG= -0.028557 Density= 0.106386 ETOT(band)= -0.117172 trlgG= -0.146792 logG= -0.028557 TDE= -0.170880 logGD-logG0= -0.005063 tlogG= -0.023215 logG= -0.028278 Density= 0.108197 ETOT(band)= -0.116214 trlgG= -0.145857 logG= -0.028278 TDE= -0.171121 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.023642 logG= -0.028607 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106978 ETOT(band)= -0.116947 trlgG= -0.146290 logG= -0.028607 TDE= -0.170620 logGD-logG0= -0.005078 tlogG= -0.022874 logG= -0.027952 Density= 0.107617 ETOT(band)= -0.116311 trlgG= -0.145332 logG= -0.027952 TDE= -0.170634 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.023686 logG= -0.028361 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106975 ETOT(band)= -0.116859 trlgG= -0.146480 logG= -0.028361 TDE= -0.171055 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035491 ETOT(band)= -0.038931 trlgG= -0.048606 logG= -0.009286 TDE= -0.056883 logGD-logG0= -0.002586 tlogG= -0.012032 logG= -0.014618 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053764 ETOT(band)= -0.058541 trlgG= -0.073681 logG= -0.014618 TDE= -0.085668 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035311 ETOT(band)= -0.039083 trlgG= -0.048971 logG= -0.009438 TDE= -0.057006 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004288 tlogG= -0.024051 logG= -0.028339 logGD-logG0= -0.002404 tlogG= -0.012082 logG= -0.014485 Density= 0.053585 ETOT(band)= -0.058553 trlgG= -0.073624 logG= -0.014485 TDE= -0.085655 Density= 0.106113 ETOT(band)= -0.117185 trlgG= -0.146785 logG= -0.028339 TDE= -0.170955 logGD-logG0= -0.004315 tlogG= -0.023974 logG= -0.028289 logGD-logG0= -0.004589 tlogG= -0.023205 logG= -0.027794 Density= 0.106734 ETOT(band)= -0.116640 trlgG= -0.145463 logG= -0.027794 TDE= -0.170486 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106165 ETOT(band)= -0.117142 trlgG= -0.146671 logG= -0.028289 TDE= -0.170918 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.022408 logG= -0.027386 Density= 0.107635 ETOT(band)= -0.115978 trlgG= -0.144436 logG= -0.027386 TDE= -0.170313 logGD-logG0= -0.002315 tlogG= -0.011448 logG= -0.013763 Density= 0.053737 ETOT(band)= -0.058078 trlgG= -0.072497 logG= -0.013763 TDE= -0.085326 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011984 logG= -0.014525 logGD-logG0= -0.004701 tlogG= -0.023500 logG= -0.028201 Density= 0.054139 ETOT(band)= -0.058301 trlgG= -0.073543 logG= -0.014525 TDE= -0.085808 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002611 tlogG= -0.011988 logG= -0.014598 Density= 0.053984 ETOT(band)= -0.058423 trlgG= -0.073664 logG= -0.014598 TDE= -0.085780 logGD-logG0= -0.004675 tlogG= -0.022989 logG= -0.027664 Density= 0.106870 ETOT(band)= -0.116508 trlgG= -0.145200 logG= -0.027664 TDE= -0.170420 Density= 0.106772 ETOT(band)= -0.116830 trlgG= -0.145946 logG= -0.028201 TDE= -0.170582 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.023763 logG= -0.028879 Density= 0.108181 ETOT(band)= -0.116553 trlgG= -0.146812 logG= -0.028879 TDE= -0.171466 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.023950 logG= -0.029053 Density= 0.108232 ETOT(band)= -0.116627 trlgG= -0.147090 logG= -0.029053 TDE= -0.171596 logGD-logG0= -0.005112 tlogG= -0.023430 logG= -0.028541 Density= 0.108134 ETOT(band)= -0.116391 trlgG= -0.146276 logG= -0.028541 TDE= -0.171245 logGD-logG0= -0.005070 tlogG= -0.022982 logG= -0.028052 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108138 ETOT(band)= -0.116121 trlgG= -0.145502 logG= -0.028052 TDE= -0.170962 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.024070 logG= -0.029316 Density= 0.107645 ETOT(band)= -0.117082 trlgG= -0.147507 logG= -0.029316 TDE= -0.171459 logGD-logG0= -0.005002 tlogG= -0.022456 logG= -0.027459 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108206 ETOT(band)= -0.115749 trlgG= -0.144554 logG= -0.027459 TDE= -0.170641 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004960 tlogG= -0.024092 logG= -0.029052 logGD-logG0= -0.005093 tlogG= -0.023605 logG= -0.028698 Density= 0.107381 ETOT(band)= -0.117048 trlgG= -0.147129 logG= -0.029052 TDE= -0.171214 Density= 0.108207 ETOT(band)= -0.116437 trlgG= -0.146521 logG= -0.028698 TDE= -0.171369 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023871 logG= -0.028961 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108252 ETOT(band)= -0.116563 trlgG= -0.146941 logG= -0.028961 TDE= -0.171549 logGD-logG0= -0.005196 tlogG= -0.023966 logG= -0.029163 Density= 0.107446 ETOT(band)= -0.117069 trlgG= -0.147234 logG= -0.029163 TDE= -0.171241 logGD-logG0= -0.005254 tlogG= -0.024087 logG= -0.029341 logGD-logG0= -0.005287 tlogG= -0.024133 logG= -0.029420 Density= 0.107814 ETOT(band)= -0.117077 trlgG= -0.147695 logG= -0.029420 TDE= -0.171627 Density= 0.107891 ETOT(band)= -0.116989 trlgG= -0.147570 logG= -0.029341 TDE= -0.171618 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023901 logG= -0.029180 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107754 ETOT(band)= -0.116947 trlgG= -0.147291 logG= -0.029180 TDE= -0.171434 logGD-logG0= -0.004998 tlogG= -0.022733 logG= -0.027731 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108252 ETOT(band)= -0.115885 trlgG= -0.144990 logG= -0.027731 TDE= -0.170828 logGD-logG0= -0.004797 tlogG= -0.023688 logG= -0.028485 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022849 logG= -0.027679 Density= 0.107749 ETOT(band)= -0.116106 trlgG= -0.144919 logG= -0.027679 TDE= -0.170560 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023668 logG= -0.028315 Density= 0.107379 ETOT(band)= -0.116738 trlgG= -0.146388 logG= -0.028485 TDE= -0.171040 Density= 0.106596 ETOT(band)= -0.116977 trlgG= -0.146377 logG= -0.028315 TDE= -0.170811 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010426 logG= -0.012810 Density= 0.054380 ETOT(band)= -0.057078 trlgG= -0.070690 logG= -0.012810 TDE= -0.084789 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001678 tlogG= -0.007304 logG= -0.008983 Density= 0.035844 ETOT(band)= -0.038581 trlgG= -0.047907 logG= -0.008983 TDE= -0.056662 logGD-logG0= -0.004848 tlogG= -0.024069 logG= -0.028916 logGD-logG0= -0.001612 tlogG= -0.006991 logG= -0.008604 Density= 0.107057 ETOT(band)= -0.117111 trlgG= -0.147156 logG= -0.028916 TDE= -0.171217 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.036197 ETOT(band)= -0.038131 trlgG= -0.047245 logG= -0.008604 TDE= -0.056554 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004871 tlogG= -0.023892 logG= -0.028763 Density= 0.106756 ETOT(band)= -0.117131 trlgG= -0.146903 logG= -0.028763 TDE= -0.170968 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023195 logG= -0.028464 Density= 0.107685 ETOT(band)= -0.116559 trlgG= -0.146141 logG= -0.028464 TDE= -0.170965 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.022852 logG= -0.027559 Density= 0.107297 ETOT(band)= -0.116253 trlgG= -0.145047 logG= -0.027559 TDE= -0.170584 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009717 tlogG= -0.048243 logG= -0.057961 Density= 0.214404 ETOT(band)= -0.234179 trlgG= -0.294386 logG= -0.057961 TDE= -0.342523 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023579 logG= -0.028857 Density= 0.107802 ETOT(band)= -0.116719 trlgG= -0.146770 logG= -0.028857 TDE= -0.171259 logGD-logG0= -0.009404 tlogG= -0.045760 logG= -0.055163 Density= 0.215019 ETOT(band)= -0.232338 trlgG= -0.289994 logG= -0.055163 TDE= -0.341233 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009683 tlogG= -0.045590 logG= -0.055273 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.024058 logG= -0.029287 logGD-logG0= -0.009584 tlogG= -0.047159 logG= -0.056743 Density= 0.213765 ETOT(band)= -0.233776 trlgG= -0.292813 logG= -0.056743 TDE= -0.341852 Density= 0.214362 ETOT(band)= -0.232690 trlgG= -0.290174 logG= -0.055273 TDE= -0.340978 Density= 0.107950 ETOT(band)= -0.116921 trlgG= -0.147481 logG= -0.029287 TDE= -0.171613 logGD-logG0= -0.009042 tlogG= -0.047631 logG= -0.056673 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009863 tlogG= -0.047900 logG= -0.057763 Density= 0.213970 ETOT(band)= -0.234219 trlgG= -0.294076 logG= -0.057763 TDE= -0.342195 Density= 0.212921 ETOT(band)= -0.234079 trlgG= -0.292887 logG= -0.056673 TDE= -0.341577 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.047930 logG= -0.057402 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010394 tlogG= -0.048081 logG= -0.058475 Density= 0.215076 ETOT(band)= -0.234153 trlgG= -0.294731 logG= -0.058475 TDE= -0.342686 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213270 ETOT(band)= -0.234286 trlgG= -0.293530 logG= -0.057402 TDE= -0.341665 logGD-logG0= -0.009745 tlogG= -0.047154 logG= -0.056899 Density= 0.213777 ETOT(band)= -0.233820 trlgG= -0.292605 logG= -0.056899 TDE= -0.341493 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023870 logG= -0.029110 Density= 0.107918 ETOT(band)= -0.116815 trlgG= -0.147185 logG= -0.029110 TDE= -0.171478 logGD-logG0= -0.010439 tlogG= -0.047746 logG= -0.058186 Density= 0.214761 ETOT(band)= -0.234101 trlgG= -0.294221 logG= -0.058186 TDE= -0.342310 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009356 tlogG= -0.047447 logG= -0.056803 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214312 ETOT(band)= -0.233604 trlgG= -0.292942 logG= -0.056803 TDE= -0.342191 logGD-logG0= -0.004868 tlogG= -0.021563 logG= -0.026432 Density= 0.108517 ETOT(band)= -0.114892 trlgG= -0.142817 logG= -0.026432 TDE= -0.170085 logGD-logG0= -0.010304 tlogG= -0.047786 logG= -0.058090 logGD-logG0= -0.010243 tlogG= -0.047979 logG= -0.058222 Density= 0.215079 ETOT(band)= -0.234008 trlgG= -0.294315 logG= -0.058222 TDE= -0.342525 Density= 0.214660 ETOT(band)= -0.234095 trlgG= -0.294052 logG= -0.058090 TDE= -0.342187 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009987 tlogG= -0.048029 logG= -0.058015 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214535 ETOT(band)= -0.234125 trlgG= -0.294135 logG= -0.058015 TDE= -0.342282 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009788 tlogG= -0.045649 logG= -0.055437 Density= 0.215152 ETOT(band)= -0.232412 trlgG= -0.289985 logG= -0.055437 TDE= -0.341016 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010531 tlogG= -0.047529 logG= -0.058059 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.048015 logG= -0.058490 Density= 0.215113 ETOT(band)= -0.234144 trlgG= -0.294758 logG= -0.058490 TDE= -0.342717 Density= 0.215707 ETOT(band)= -0.233598 trlgG= -0.294101 logG= -0.058059 TDE= -0.342784 logGD-logG0= -0.010104 tlogG= -0.047660 logG= -0.057764 logGD-logG0= -0.010540 tlogG= -0.046878 logG= -0.057418 Density= 0.215435 ETOT(band)= -0.233363 trlgG= -0.293061 logG= -0.057418 TDE= -0.342250 Density= 0.213950 ETOT(band)= -0.234206 trlgG= -0.293828 logG= -0.057764 TDE= -0.341938 logGD-logG0= -0.010331 tlogG= -0.047308 logG= -0.057639 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214264 ETOT(band)= -0.233997 trlgG= -0.293304 logG= -0.057639 TDE= -0.341693 logGD-logG0= -0.010456 tlogG= -0.047941 logG= -0.058397 logGD-logG0= -0.010101 tlogG= -0.046412 logG= -0.056513 Density= 0.215220 ETOT(band)= -0.232974 trlgG= -0.291618 logG= -0.056513 TDE= -0.341607 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215903 ETOT(band)= -0.233713 trlgG= -0.294663 logG= -0.058397 TDE= -0.343105 logGD-logG0= -0.010498 tlogG= -0.047421 logG= -0.057919 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215474 ETOT(band)= -0.233639 trlgG= -0.293861 logG= -0.057919 TDE= -0.342570 logGD-logG0= -0.010588 tlogG= -0.048145 logG= -0.058733 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215430 ETOT(band)= -0.234168 trlgG= -0.295194 logG= -0.058733 TDE= -0.343067 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009712 tlogG= -0.047224 logG= -0.056936 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214479 ETOT(band)= -0.233565 trlgG= -0.292714 logG= -0.056936 TDE= -0.341914 logGD-logG0= -0.010511 tlogG= -0.047890 logG= -0.058401 Density= 0.215775 ETOT(band)= -0.233786 trlgG= -0.294665 logG= -0.058401 TDE= -0.343041 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002445 tlogG= -0.010841 logG= -0.013286 Density= 0.054064 ETOT(band)= -0.057597 trlgG= -0.071537 logG= -0.013286 TDE= -0.085005 logGD-logG0= -0.005034 tlogG= -0.021817 logG= -0.026852 Density= 0.107789 ETOT(band)= -0.115550 trlgG= -0.143560 logG= -0.026852 TDE= -0.170048 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010013 tlogG= -0.047152 logG= -0.057164 Density= 0.215155 ETOT(band)= -0.233375 trlgG= -0.292636 logG= -0.057164 TDE= -0.341941 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004954 tlogG= -0.021874 logG= -0.026828 Density= 0.108326 ETOT(band)= -0.115259 trlgG= -0.143497 logG= -0.026828 TDE= -0.170274 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021694 logG= -0.026669 Density= 0.107932 ETOT(band)= -0.115357 trlgG= -0.143250 logG= -0.026669 TDE= -0.169992 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004787 tlogG= -0.020988 logG= -0.025775 Density= 0.108713 ETOT(band)= -0.114303 trlgG= -0.141659 logG= -0.025775 TDE= -0.169681 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009944 tlogG= -0.043389 logG= -0.053332 Density= 0.216281 ETOT(band)= -0.230501 trlgG= -0.286475 logG= -0.053332 TDE= -0.340169 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005748 logG= -0.006996 Density= 0.080637 ETOT(band)= -0.087410 trlgG= -0.109610 logG= -0.006996 TDE= -0.042750 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023957 logG= -0.028996 Density= 0.214342 ETOT(band)= -0.234130 trlgG= -0.293911 logG= -0.028996 TDE= -0.171080 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.022439 logG= -0.027519 Density= 0.216376 ETOT(band)= -0.231315 trlgG= -0.288597 logG= -0.027519 TDE= -0.170583 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023415 logG= -0.028583 Density= 0.216205 ETOT(band)= -0.232686 trlgG= -0.292198 logG= -0.028583 TDE= -0.171205 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023882 logG= -0.028761 Density= 0.213788 ETOT(band)= -0.234048 trlgG= -0.293005 logG= -0.028761 TDE= -0.170809 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.023194 logG= -0.028325 Density= 0.214870 ETOT(band)= -0.232989 trlgG= -0.291218 logG= -0.028325 TDE= -0.170635 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004613 tlogG= -0.023370 logG= -0.027983 Density= 0.214183 ETOT(band)= -0.233411 trlgG= -0.292336 logG= -0.027983 TDE= -0.170925 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004539 tlogG= -0.023972 logG= -0.028512 Density= 0.212804 ETOT(band)= -0.234315 trlgG= -0.293490 logG= -0.028512 TDE= -0.170847 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001420 tlogG= -0.007965 logG= -0.009386 Density= 0.070864 ETOT(band)= -0.077965 trlgG= -0.097455 logG= -0.009386 TDE= -0.056968 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004262 tlogG= -0.024131 logG= -0.028393 Density= 0.212164 ETOT(band)= -0.234421 trlgG= -0.293693 logG= -0.028393 TDE= -0.170994 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004395 tlogG= -0.023740 logG= -0.028135 Density= 0.213082 ETOT(band)= -0.233629 trlgG= -0.291767 logG= -0.028135 TDE= -0.170796 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004450 tlogG= -0.023586 logG= -0.028037 Density= 0.212612 ETOT(band)= -0.234039 trlgG= -0.292743 logG= -0.028037 TDE= -0.170711 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004565 tlogG= -0.023890 logG= -0.028455 Density= 0.213279 ETOT(band)= -0.233903 trlgG= -0.292495 logG= -0.028455 TDE= -0.170799 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001177 tlogG= -0.005171 logG= -0.006348 Density= 0.062540 ETOT(band)= -0.067556 trlgG= -0.084208 logG= -0.006348 TDE= -0.042363 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.022905 logG= -0.027834 Density= 0.214798 ETOT(band)= -0.232436 trlgG= -0.289688 logG= -0.027834 TDE= -0.170448 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005939 logG= -0.007206 Density= 0.080834 ETOT(band)= -0.087659 trlgG= -0.110362 logG= -0.007206 TDE= -0.042870 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009148 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071496 ETOT(band)= -0.077360 trlgG= -0.096155 logG= -0.009148 TDE= -0.056743 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007119 Density= 0.080650 ETOT(band)= -0.087625 trlgG= -0.110165 logG= -0.007119 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001266 tlogG= -0.005984 logG= -0.007250 Density= 0.081063 ETOT(band)= -0.087561 trlgG= -0.110414 logG= -0.007250 TDE= -0.042900 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080839 ETOT(band)= -0.086981 trlgG= -0.108607 logG= -0.006847 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.024001 logG= -0.029186 Density= 0.215693 ETOT(band)= -0.233887 trlgG= -0.294820 logG= -0.029186 TDE= -0.171594 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001196 tlogG= -0.005307 logG= -0.006502 logGD-logG0= -0.001569 tlogG= -0.006874 logG= -0.008442 Density= 0.040850 ETOT(band)= -0.042678 trlgG= -0.052796 logG= -0.008442 TDE= -0.056468 Density= 0.081561 ETOT(band)= -0.085698 trlgG= -0.106207 logG= -0.006502 TDE= -0.042465 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005149 tlogG= -0.023999 logG= -0.029148 Density= 0.216363 ETOT(band)= -0.233366 trlgG= -0.294341 logG= -0.029148 TDE= -0.171612 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023481 logG= -0.028695 Density= 0.215219 ETOT(band)= -0.233360 trlgG= -0.292903 logG= -0.028695 TDE= -0.171185 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024006 logG= -0.028739 Density= 0.321570 ETOT(band)= -0.351162 trlgG= -0.441336 logG= -0.028739 TDE= -0.171242 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023799 logG= -0.029018 Density= 0.215340 ETOT(band)= -0.233794 trlgG= -0.294165 logG= -0.029018 TDE= -0.171442 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001680 tlogG= -0.007117 logG= -0.008797 Density= 0.072231 ETOT(band)= -0.076490 trlgG= -0.094839 logG= -0.008797 TDE= -0.056628 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005005 tlogG= -0.024162 logG= -0.029167 Density= 0.322448 ETOT(band)= -0.351270 trlgG= -0.442012 logG= -0.029167 TDE= -0.171247 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023844 logG= -0.028881 Density= 0.215502 ETOT(band)= -0.233789 trlgG= -0.294270 logG= -0.028881 TDE= -0.171130 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024122 logG= -0.029400 Density= 0.215726 ETOT(band)= -0.234042 trlgG= -0.295235 logG= -0.029400 TDE= -0.171627 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004909 tlogG= -0.022292 logG= -0.027201 logGD-logG0= -0.004878 tlogG= -0.022473 logG= -0.027351 Density= 0.215023 ETOT(band)= -0.231701 trlgG= -0.288043 logG= -0.027351 TDE= -0.170197 Density= 0.214258 ETOT(band)= -0.232480 trlgG= -0.289443 logG= -0.027201 TDE= -0.170183 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004645 tlogG= -0.023367 logG= -0.028012 logGD-logG0= -0.010327 tlogG= -0.047786 logG= -0.058113 Density= 0.321638 ETOT(band)= -0.350115 trlgG= -0.438760 logG= -0.028012 TDE= -0.170917 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324362 ETOT(band)= -0.349955 trlgG= -0.441011 logG= -0.058113 TDE= -0.343063 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023762 logG= -0.028923 Density= 0.216286 ETOT(band)= -0.233065 trlgG= -0.293405 logG= -0.028923 TDE= -0.171444 logGD-logG0= -0.004979 tlogG= -0.024157 logG= -0.029136 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.023956 logG= -0.029098 Density= 0.214745 ETOT(band)= -0.234201 trlgG= -0.294525 logG= -0.029136 TDE= -0.171252 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216397 ETOT(band)= -0.233262 trlgG= -0.294109 logG= -0.029098 TDE= -0.171585 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022967 logG= -0.028109 Density= 0.216232 ETOT(band)= -0.232113 trlgG= -0.290582 logG= -0.028109 TDE= -0.170917 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010374 tlogG= -0.047235 logG= -0.057608 Density= 0.324143 ETOT(band)= -0.349590 trlgG= -0.439663 logG= -0.057608 TDE= -0.342671 logGD-logG0= -0.005210 tlogG= -0.024083 logG= -0.029293 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323072 ETOT(band)= -0.351240 trlgG= -0.442662 logG= -0.029293 TDE= -0.171440 logGD-logG0= -0.010100 tlogG= -0.045628 logG= -0.055728 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010613 tlogG= -0.048039 logG= -0.058652 Density= 0.324053 ETOT(band)= -0.347992 trlgG= -0.434959 logG= -0.055728 TDE= -0.341489 Density= 0.323257 ETOT(band)= -0.351031 trlgG= -0.442358 logG= -0.058652 TDE= -0.343057 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.046414 logG= -0.056785 logGD-logG0= -0.004991 tlogG= -0.023244 logG= -0.028235 Density= 0.324006 ETOT(band)= -0.348935 trlgG= -0.437578 logG= -0.056785 TDE= -0.342114 Density= 0.321706 ETOT(band)= -0.350620 trlgG= -0.439611 logG= -0.028235 TDE= -0.170871 logGD-logG0= -0.004701 tlogG= -0.024006 logG= -0.028707 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004744 tlogG= -0.023244 logG= -0.027988 Density= 0.213496 ETOT(band)= -0.233656 trlgG= -0.292226 logG= -0.027988 TDE= -0.170761 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214122 ETOT(band)= -0.234123 trlgG= -0.294129 logG= -0.028707 TDE= -0.171247 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009606 tlogG= -0.046604 logG= -0.056210 Density= 0.322710 ETOT(band)= -0.349065 trlgG= -0.436398 logG= -0.056210 TDE= -0.341642 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023836 logG= -0.028632 Density= 0.213572 ETOT(band)= -0.234187 trlgG= -0.293742 logG= -0.028632 TDE= -0.171065 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023957 logG= -0.029269 Density= 0.323671 ETOT(band)= -0.350702 trlgG= -0.442101 logG= -0.029269 TDE= -0.171499 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023684 logG= -0.029059 logGD-logG0= -0.009371 tlogG= -0.046713 logG= -0.056084 Density= 0.427888 ETOT(band)= -0.466209 trlgG= -0.581847 logG= -0.056084 TDE= -0.341252 logGD-logG0= -0.005042 tlogG= -0.021879 logG= -0.026920 Density= 0.216632 ETOT(band)= -0.230318 trlgG= -0.286479 logG= -0.026920 TDE= -0.170243 Density= 0.215413 ETOT(band)= -0.233643 trlgG= -0.293850 logG= -0.029059 TDE= -0.171273 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023354 logG= -0.028751 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215111 ETOT(band)= -0.233387 trlgG= -0.292711 logG= -0.028751 TDE= -0.170979 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008882 tlogG= -0.048095 logG= -0.056977 logGD-logG0= -0.009563 tlogG= -0.047839 logG= -0.057402 Density= 0.425524 ETOT(band)= -0.468429 trlgG= -0.586468 logG= -0.056977 TDE= -0.341811 Density= 0.428039 ETOT(band)= -0.468231 trlgG= -0.587844 logG= -0.057402 TDE= -0.342299 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010066 tlogG= -0.048148 logG= -0.058214 Density= 0.429308 ETOT(band)= -0.468336 trlgG= -0.588611 logG= -0.058214 TDE= -0.342345 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010235 tlogG= -0.047956 logG= -0.058191 Density= 0.429211 ETOT(band)= -0.468298 trlgG= -0.588258 logG= -0.058191 TDE= -0.342186 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009426 tlogG= -0.046607 logG= -0.056032 Density= 0.428096 ETOT(band)= -0.466929 trlgG= -0.584452 logG= -0.056032 TDE= -0.341668 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010177 tlogG= -0.047667 logG= -0.057845 Density= 0.428294 ETOT(band)= -0.468212 trlgG= -0.587175 logG= -0.057845 TDE= -0.341940 logGD-logG0= -0.009739 tlogG= -0.047853 logG= -0.057591 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010578 tlogG= -0.047728 logG= -0.058306 Density= 0.430762 ETOT(band)= -0.467588 trlgG= -0.588335 logG= -0.058306 TDE= -0.342703 Density= 0.429142 ETOT(band)= -0.468001 trlgG= -0.587813 logG= -0.057591 TDE= -0.342285 logGD-logG0= -0.010410 tlogG= -0.048070 logG= -0.058479 Density= 0.430154 ETOT(band)= -0.468167 trlgG= -0.589050 logG= -0.058479 TDE= -0.342686 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010679 tlogG= -0.047693 logG= -0.058372 logGD-logG0= -0.004869 tlogG= -0.021300 logG= -0.026169 logGD-logG0= -0.009573 tlogG= -0.047649 logG= -0.057222 Density= 0.426668 ETOT(band)= -0.468450 trlgG= -0.586983 logG= -0.057222 TDE= -0.341830 Density= 0.431104 ETOT(band)= -0.467529 trlgG= -0.588693 logG= -0.058372 TDE= -0.342809 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162654 ETOT(band)= -0.173008 trlgG= -0.215911 logG= -0.026169 TDE= -0.169897 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009527 tlogG= -0.047768 logG= -0.057295 Density= 0.427173 ETOT(band)= -0.467998 trlgG= -0.585833 logG= -0.057295 TDE= -0.341532 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010199 tlogG= -0.048221 logG= -0.058420 Density= 0.430047 ETOT(band)= -0.468337 trlgG= -0.589379 logG= -0.058420 TDE= -0.342561 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009920 tlogG= -0.047559 logG= -0.057478 Density= 0.428610 ETOT(band)= -0.467556 trlgG= -0.586214 logG= -0.057478 TDE= -0.341984 logGD-logG0= -0.010239 tlogG= -0.046930 logG= -0.057168 Density= 0.429886 ETOT(band)= -0.466543 trlgG= -0.584213 logG= -0.057168 TDE= -0.341654 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009855 tlogG= -0.046400 logG= -0.056254 logGD-logG0= -0.005327 tlogG= -0.023898 logG= -0.029224 Density= 0.215652 ETOT(band)= -0.233789 trlgG= -0.294547 logG= -0.029224 TDE= -0.171450 Density= 0.429534 ETOT(band)= -0.465631 trlgG= -0.581516 logG= -0.056254 TDE= -0.341363 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010637 tlogG= -0.047267 logG= -0.057904 logGD-logG0= -0.010604 tlogG= -0.048018 logG= -0.058622 Density= 0.430490 ETOT(band)= -0.467165 trlgG= -0.586864 logG= -0.057904 TDE= -0.342319 Density= 0.431346 ETOT(band)= -0.467811 trlgG= -0.589686 logG= -0.058622 TDE= -0.343074 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.022327 logG= -0.027123 Density= 0.322876 ETOT(band)= -0.348035 trlgG= -0.434009 logG= -0.027123 TDE= -0.170264 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010163 tlogG= -0.047569 logG= -0.057732 Density= 0.430017 ETOT(band)= -0.467188 trlgG= -0.586142 logG= -0.057732 TDE= -0.342099 logGD-logG0= -0.004910 tlogG= -0.021205 logG= -0.026115 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216349 ETOT(band)= -0.230072 trlgG= -0.285532 logG= -0.026115 TDE= -0.169817 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009891 tlogG= -0.044621 logG= -0.054512 Density= 0.324294 ETOT(band)= -0.346723 trlgG= -0.431948 logG= -0.054512 TDE= -0.340811 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005468 logG= -0.006683 Density= 0.081202 ETOT(band)= -0.086367 trlgG= -0.107367 logG= -0.006683 TDE= -0.042576 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004756 tlogG= -0.022326 logG= -0.027082 Density= 0.215029 ETOT(band)= -0.231990 trlgG= -0.289088 logG= -0.027082 TDE= -0.170270 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004952 tlogG= -0.021350 logG= -0.026302 Density= 0.217026 ETOT(band)= -0.229209 trlgG= -0.284273 logG= -0.026302 TDE= -0.169910 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009739 tlogG= -0.044624 logG= -0.054363 Density= 0.431613 ETOT(band)= -0.462152 trlgG= -0.574729 logG= -0.054363 TDE= -0.340448 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.868367596022 eV TrLogG= -407.268413777468 eV Ratio to renormalize= 1.000016564046 rho-rho_expected=-0.000364402974 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 58) Finished k-point number 118 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964671507164706 0.940432849592396 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002309 tlogG= -0.011882 logG= -0.014191 Density= 0.053560 ETOT(band)= -0.058405 trlgG= -0.073256 logG= -0.014191 TDE= -0.085570 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.023640 logG= -0.028605 Density= 0.106976 ETOT(band)= -0.116940 trlgG= -0.146279 logG= -0.028605 TDE= -0.170610 logGD-logG0= -0.005254 tlogG= -0.023680 logG= -0.028934 logGD-logG0= -0.005064 tlogG= -0.023211 logG= -0.028276 Density= 0.108194 ETOT(band)= -0.116207 trlgG= -0.145847 logG= -0.028276 TDE= -0.171111 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107230 ETOT(band)= -0.117010 trlgG= -0.146828 logG= -0.028934 TDE= -0.170956 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023683 logG= -0.028359 Density= 0.106973 ETOT(band)= -0.116851 trlgG= -0.146469 logG= -0.028359 TDE= -0.171046 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004849 tlogG= -0.024065 logG= -0.028914 Density= 0.107054 ETOT(band)= -0.117103 trlgG= -0.147145 logG= -0.028914 TDE= -0.171207 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023192 logG= -0.028462 Density= 0.107682 ETOT(band)= -0.116551 trlgG= -0.146130 logG= -0.028462 TDE= -0.170955 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.022848 logG= -0.027556 Density= 0.107294 ETOT(band)= -0.116245 trlgG= -0.145036 logG= -0.027556 TDE= -0.170575 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.023971 logG= -0.028287 Density= 0.106164 ETOT(band)= -0.117133 trlgG= -0.146660 logG= -0.028287 TDE= -0.170908 logGD-logG0= -0.004589 tlogG= -0.023202 logG= -0.027791 Density= 0.106732 ETOT(band)= -0.116632 trlgG= -0.145452 logG= -0.027791 TDE= -0.170477 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002586 tlogG= -0.012030 logG= -0.014616 logGD-logG0= -0.002316 tlogG= -0.011446 logG= -0.013762 Density= 0.053762 ETOT(band)= -0.058537 trlgG= -0.073675 logG= -0.014616 TDE= -0.085663 Density= 0.053736 ETOT(band)= -0.058074 trlgG= -0.072492 logG= -0.013762 TDE= -0.085321 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012080 logG= -0.014484 Density= 0.053583 ETOT(band)= -0.058549 trlgG= -0.073618 logG= -0.014484 TDE= -0.085650 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.022986 logG= -0.027662 Density= 0.106868 ETOT(band)= -0.116500 trlgG= -0.145189 logG= -0.027662 TDE= -0.170411 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022404 logG= -0.027384 logGD-logG0= -0.001475 tlogG= -0.007810 logG= -0.009285 Density= 0.035490 ETOT(band)= -0.038929 trlgG= -0.048602 logG= -0.009285 TDE= -0.056879 Density= 0.107633 ETOT(band)= -0.115971 trlgG= -0.144425 logG= -0.027384 TDE= -0.170303 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 logGD-logG0= -0.001394 tlogG= -0.008043 logG= -0.009437 Density= 0.035311 ETOT(band)= -0.039081 trlgG= -0.048967 logG= -0.009437 TDE= -0.057003 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005851 logG= -0.001047 TDE= -0.007053 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022453 logG= -0.027456 Density= 0.108203 ETOT(band)= -0.115742 trlgG= -0.144544 logG= -0.027456 TDE= -0.170632 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002542 tlogG= -0.011982 logG= -0.014524 Density= 0.054138 ETOT(band)= -0.058298 trlgG= -0.073538 logG= -0.014524 TDE= -0.085804 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.024067 logG= -0.029314 Density= 0.107642 ETOT(band)= -0.117074 trlgG= -0.147496 logG= -0.029314 TDE= -0.171449 logGD-logG0= -0.005105 tlogG= -0.023946 logG= -0.029051 logGD-logG0= -0.004289 tlogG= -0.024048 logG= -0.028337 Density= 0.106112 ETOT(band)= -0.117177 trlgG= -0.146773 logG= -0.028337 TDE= -0.170946 Density= 0.108229 ETOT(band)= -0.116620 trlgG= -0.147080 logG= -0.029051 TDE= -0.171586 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024042 logG= -0.028555 Density= 0.106384 ETOT(band)= -0.117164 trlgG= -0.146781 logG= -0.028555 TDE= -0.170870 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023426 logG= -0.028539 logGD-logG0= -0.005072 tlogG= -0.022978 logG= -0.028050 Density= 0.108135 ETOT(band)= -0.116114 trlgG= -0.145491 logG= -0.028050 TDE= -0.170952 logGD-logG0= -0.002611 tlogG= -0.011986 logG= -0.014597 Density= 0.108131 ETOT(band)= -0.116384 trlgG= -0.146266 logG= -0.028539 TDE= -0.171235 Density= 0.053983 ETOT(band)= -0.058419 trlgG= -0.073659 logG= -0.014597 TDE= -0.085775 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023684 logG= -0.028482 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107377 ETOT(band)= -0.116730 trlgG= -0.146377 logG= -0.028482 TDE= -0.171030 logGD-logG0= -0.005118 tlogG= -0.023759 logG= -0.028877 Density= 0.108178 ETOT(band)= -0.116546 trlgG= -0.146802 logG= -0.028877 TDE= -0.171456 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004921 tlogG= -0.022165 logG= -0.027086 Density= 0.108359 ETOT(band)= -0.115435 trlgG= -0.143936 logG= -0.027086 TDE= -0.170471 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.024083 logG= -0.029339 Density= 0.107888 ETOT(band)= -0.116981 trlgG= -0.147559 logG= -0.029339 TDE= -0.171609 logGD-logG0= -0.005095 tlogG= -0.023601 logG= -0.028696 Density= 0.108204 ETOT(band)= -0.116430 trlgG= -0.146510 logG= -0.028696 TDE= -0.171359 logGD-logG0= -0.004831 tlogG= -0.022846 logG= -0.027677 logGD-logG0= -0.001679 tlogG= -0.007303 logG= -0.008982 Density= 0.035843 ETOT(band)= -0.038579 trlgG= -0.047904 logG= -0.008982 TDE= -0.056659 logGD-logG0= -0.001613 tlogG= -0.006990 logG= -0.008603 Density= 0.036196 ETOT(band)= -0.038129 trlgG= -0.047242 logG= -0.008603 TDE= -0.056551 Density= 0.107747 ETOT(band)= -0.116099 trlgG= -0.144909 logG= -0.027677 TDE= -0.170550 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005079 tlogG= -0.022871 logG= -0.027950 logGD-logG0= -0.005197 tlogG= -0.023963 logG= -0.029160 Density= 0.107443 ETOT(band)= -0.117061 trlgG= -0.147223 logG= -0.029160 TDE= -0.171231 logGD-logG0= -0.005279 tlogG= -0.023898 logG= -0.029177 Density= 0.107615 ETOT(band)= -0.116304 trlgG= -0.145321 logG= -0.027950 TDE= -0.170624 Density= 0.107751 ETOT(band)= -0.116940 trlgG= -0.147280 logG= -0.029177 TDE= -0.171424 logGD-logG0= -0.004999 tlogG= -0.022729 logG= -0.027729 logGD-logG0= -0.005289 tlogG= -0.024129 logG= -0.029418 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108249 ETOT(band)= -0.115878 trlgG= -0.144980 logG= -0.027729 TDE= -0.170818 logGD-logG0= -0.004702 tlogG= -0.023497 logG= -0.028198 Density= 0.106770 ETOT(band)= -0.116822 trlgG= -0.145935 logG= -0.028198 TDE= -0.170572 Density= 0.107811 ETOT(band)= -0.117069 trlgG= -0.147685 logG= -0.029418 TDE= -0.171617 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.024089 logG= -0.029050 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107378 ETOT(band)= -0.117040 trlgG= -0.147118 logG= -0.029050 TDE= -0.171204 logGD-logG0= -0.004871 tlogG= -0.023889 logG= -0.028761 logGD-logG0= -0.004647 tlogG= -0.023665 logG= -0.028312 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106754 ETOT(band)= -0.117123 trlgG= -0.146892 logG= -0.028761 TDE= -0.170958 Density= 0.106594 ETOT(band)= -0.116970 trlgG= -0.146365 logG= -0.028312 TDE= -0.170801 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.023867 logG= -0.028959 Density= 0.108249 ETOT(band)= -0.116556 trlgG= -0.146931 logG= -0.028959 TDE= -0.171539 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009719 tlogG= -0.048236 logG= -0.057956 Density= 0.214399 ETOT(band)= -0.234164 trlgG= -0.294364 logG= -0.057956 TDE= -0.342504 logGD-logG0= -0.005242 tlogG= -0.023866 logG= -0.029108 logGD-logG0= -0.005280 tlogG= -0.023575 logG= -0.028855 Density= 0.107800 ETOT(band)= -0.116712 trlgG= -0.146759 logG= -0.028855 TDE= -0.171249 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107915 ETOT(band)= -0.116808 trlgG= -0.147174 logG= -0.029108 TDE= -0.171468 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009406 tlogG= -0.045753 logG= -0.055159 Density= 0.215015 ETOT(band)= -0.232323 trlgG= -0.289973 logG= -0.055159 TDE= -0.341214 logGD-logG0= -0.010441 tlogG= -0.047740 logG= -0.058181 Density= 0.214756 ETOT(band)= -0.234086 trlgG= -0.294199 logG= -0.058181 TDE= -0.342290 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.047152 logG= -0.056738 Density= 0.213761 ETOT(band)= -0.233761 trlgG= -0.292791 logG= -0.056738 TDE= -0.341833 logGD-logG0= -0.009865 tlogG= -0.047893 logG= -0.057759 Density= 0.213965 ETOT(band)= -0.234204 trlgG= -0.294054 logG= -0.057759 TDE= -0.342176 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009686 tlogG= -0.045583 logG= -0.055269 logGD-logG0= -0.009472 tlogG= -0.047925 logG= -0.057397 Density= 0.213266 ETOT(band)= -0.234270 trlgG= -0.293508 logG= -0.057397 TDE= -0.341646 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009043 tlogG= -0.047625 logG= -0.056668 Density= 0.212917 ETOT(band)= -0.234063 trlgG= -0.292865 logG= -0.056668 TDE= -0.341558 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009745 tlogG= -0.047149 logG= -0.056894 Density= 0.213772 ETOT(band)= -0.233805 trlgG= -0.292583 logG= -0.056894 TDE= -0.341474 Density= 0.214358 ETOT(band)= -0.232675 trlgG= -0.290152 logG= -0.055269 TDE= -0.340958 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010396 tlogG= -0.048074 logG= -0.058470 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215071 ETOT(band)= -0.234139 trlgG= -0.294709 logG= -0.058470 TDE= -0.342667 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009358 tlogG= -0.047440 logG= -0.056799 logGD-logG0= -0.010244 tlogG= -0.047973 logG= -0.058217 Density= 0.214308 ETOT(band)= -0.233589 trlgG= -0.292920 logG= -0.056799 TDE= -0.342172 logGD-logG0= -0.010305 tlogG= -0.047780 logG= -0.058085 Density= 0.214655 ETOT(band)= -0.234080 trlgG= -0.294030 logG= -0.058085 TDE= -0.342167 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215073 ETOT(band)= -0.233994 trlgG= -0.294293 logG= -0.058217 TDE= -0.342505 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004789 tlogG= -0.020985 logG= -0.025773 Density= 0.108710 ETOT(band)= -0.114297 trlgG= -0.141650 logG= -0.025773 TDE= -0.169672 logGD-logG0= -0.010106 tlogG= -0.047653 logG= -0.057759 logGD-logG0= -0.005231 tlogG= -0.024054 logG= -0.029285 Density= 0.107947 ETOT(band)= -0.116914 trlgG= -0.147470 logG= -0.029285 TDE= -0.171603 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.048022 logG= -0.058011 logGD-logG0= -0.010534 tlogG= -0.047521 logG= -0.058055 Density= 0.213946 ETOT(band)= -0.234191 trlgG= -0.293806 logG= -0.057759 TDE= -0.341918 Density= 0.215701 ETOT(band)= -0.233583 trlgG= -0.294080 logG= -0.058055 TDE= -0.342765 logGD-logG0= -0.010103 tlogG= -0.046405 logG= -0.056508 Density= 0.215215 ETOT(band)= -0.232959 trlgG= -0.291597 logG= -0.056508 TDE= -0.341588 logGD-logG0= -0.010477 tlogG= -0.048008 logG= -0.058485 Density= 0.215108 ETOT(band)= -0.234130 trlgG= -0.294736 logG= -0.058485 TDE= -0.342697 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214530 ETOT(band)= -0.234110 trlgG= -0.294113 logG= -0.058011 TDE= -0.342263 logGD-logG0= -0.002386 tlogG= -0.010424 logG= -0.012810 Density= 0.054378 ETOT(band)= -0.057075 trlgG= -0.070685 logG= -0.012810 TDE= -0.084785 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010460 tlogG= -0.047933 logG= -0.058393 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215898 ETOT(band)= -0.233699 trlgG= -0.294642 logG= -0.058393 TDE= -0.343086 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010332 tlogG= -0.047302 logG= -0.057635 Density= 0.214259 ETOT(band)= -0.233982 trlgG= -0.293282 logG= -0.057635 TDE= -0.341673 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009790 tlogG= -0.045642 logG= -0.055433 Density= 0.215148 ETOT(band)= -0.232398 trlgG= -0.289964 logG= -0.055433 TDE= -0.340997 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.047415 logG= -0.057914 logGD-logG0= -0.010590 tlogG= -0.048139 logG= -0.058729 Density= 0.215425 ETOT(band)= -0.234154 trlgG= -0.295173 logG= -0.058729 TDE= -0.343047 Density= 0.215468 ETOT(band)= -0.233625 trlgG= -0.293840 logG= -0.057914 TDE= -0.342550 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010542 tlogG= -0.046872 logG= -0.057414 Density= 0.215430 ETOT(band)= -0.233348 trlgG= -0.293040 logG= -0.057414 TDE= -0.342231 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010514 tlogG= -0.047882 logG= -0.058396 Density= 0.215769 ETOT(band)= -0.233772 trlgG= -0.294644 logG= -0.058396 TDE= -0.343021 logGD-logG0= -0.002446 tlogG= -0.010839 logG= -0.013285 Density= 0.054063 ETOT(band)= -0.057593 trlgG= -0.071532 logG= -0.013285 TDE= -0.085000 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010015 tlogG= -0.047145 logG= -0.057160 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215150 ETOT(band)= -0.233360 trlgG= -0.292614 logG= -0.057160 TDE= -0.341921 logGD-logG0= -0.009714 tlogG= -0.047217 logG= -0.056931 Density= 0.214474 ETOT(band)= -0.233550 trlgG= -0.292693 logG= -0.056931 TDE= -0.341895 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.021870 logG= -0.026826 Density= 0.108323 ETOT(band)= -0.115252 trlgG= -0.143487 logG= -0.026826 TDE= -0.170264 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021691 logG= -0.026667 Density= 0.107930 ETOT(band)= -0.115350 trlgG= -0.143240 logG= -0.026667 TDE= -0.169982 logGD-logG0= -0.004870 tlogG= -0.021560 logG= -0.026430 Density= 0.108514 ETOT(band)= -0.114885 trlgG= -0.142807 logG= -0.026430 TDE= -0.170075 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021814 logG= -0.026850 Density= 0.107787 ETOT(band)= -0.115543 trlgG= -0.143550 logG= -0.026850 TDE= -0.170039 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009946 tlogG= -0.043382 logG= -0.053328 Density= 0.216276 ETOT(band)= -0.230487 trlgG= -0.286455 logG= -0.053328 TDE= -0.340151 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080635 ETOT(band)= -0.087404 trlgG= -0.109602 logG= -0.006996 TDE= -0.042748 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023953 logG= -0.028993 Density= 0.214337 ETOT(band)= -0.234115 trlgG= -0.293889 logG= -0.028993 TDE= -0.171070 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.023879 logG= -0.028758 Density= 0.213783 ETOT(band)= -0.234032 trlgG= -0.292983 logG= -0.028758 TDE= -0.170800 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.023411 logG= -0.028581 Density= 0.216199 ETOT(band)= -0.232672 trlgG= -0.292177 logG= -0.028581 TDE= -0.171195 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004702 tlogG= -0.024003 logG= -0.028705 Density= 0.214118 ETOT(band)= -0.234108 trlgG= -0.294107 logG= -0.028705 TDE= -0.171237 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023367 logG= -0.027981 Density= 0.214179 ETOT(band)= -0.233396 trlgG= -0.292314 logG= -0.027981 TDE= -0.170915 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.023351 logG= -0.028749 Density= 0.215106 ETOT(band)= -0.233372 trlgG= -0.292690 logG= -0.028749 TDE= -0.170970 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.022323 logG= -0.027080 Density= 0.215025 ETOT(band)= -0.231975 trlgG= -0.289067 logG= -0.027080 TDE= -0.170261 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005938 logG= -0.007206 Density= 0.080832 ETOT(band)= -0.087653 trlgG= -0.110354 logG= -0.007206 TDE= -0.042868 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001264 tlogG= -0.005854 logG= -0.007118 Density= 0.080648 ETOT(band)= -0.087619 trlgG= -0.110157 logG= -0.007118 TDE= -0.042814 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004396 tlogG= -0.023737 logG= -0.028132 Density= 0.213078 ETOT(band)= -0.233614 trlgG= -0.291745 logG= -0.028132 TDE= -0.170786 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023583 logG= -0.028034 Density= 0.212609 ETOT(band)= -0.234023 trlgG= -0.292721 logG= -0.028034 TDE= -0.170702 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005618 logG= -0.006847 Density= 0.080837 ETOT(band)= -0.086975 trlgG= -0.108599 logG= -0.006847 TDE= -0.042672 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.022902 logG= -0.027832 Density= 0.214793 ETOT(band)= -0.232422 trlgG= -0.289666 logG= -0.027832 TDE= -0.170438 logGD-logG0= -0.001267 tlogG= -0.005983 logG= -0.007249 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007587 logG= -0.009147 Density= 0.071495 ETOT(band)= -0.077355 trlgG= -0.096148 logG= -0.009147 TDE= -0.056740 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081061 ETOT(band)= -0.087556 trlgG= -0.110406 logG= -0.007249 TDE= -0.042898 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.023997 logG= -0.029184 Density= 0.215687 ETOT(band)= -0.233872 trlgG= -0.294798 logG= -0.029184 TDE= -0.171584 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023479 logG= -0.028693 Density= 0.215214 ETOT(band)= -0.233346 trlgG= -0.292882 logG= -0.028693 TDE= -0.171175 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001421 tlogG= -0.007964 logG= -0.009385 Density= 0.070863 ETOT(band)= -0.077960 trlgG= -0.097447 logG= -0.009385 TDE= -0.056964 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023795 logG= -0.029016 Density= 0.215334 ETOT(band)= -0.233780 trlgG= -0.294144 logG= -0.029016 TDE= -0.171432 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.023995 logG= -0.029146 Density= 0.216357 ETOT(band)= -0.233352 trlgG= -0.294320 logG= -0.029146 TDE= -0.171602 logGD-logG0= -0.004263 tlogG= -0.024128 logG= -0.028391 Density= 0.212161 ETOT(band)= -0.234405 trlgG= -0.293670 logG= -0.028391 TDE= -0.170984 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.024002 logG= -0.028737 Density= 0.321563 ETOT(band)= -0.351139 trlgG= -0.441304 logG= -0.028737 TDE= -0.171232 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022435 logG= -0.027516 logGD-logG0= -0.005280 tlogG= -0.024118 logG= -0.029398 logGD-logG0= -0.004540 tlogG= -0.023969 logG= -0.028509 Density= 0.212800 ETOT(band)= -0.234299 trlgG= -0.293468 logG= -0.028509 TDE= -0.170838 Density= 0.215720 ETOT(band)= -0.234028 trlgG= -0.295213 logG= -0.029398 TDE= -0.171617 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216371 ETOT(band)= -0.231301 trlgG= -0.288576 logG= -0.027516 TDE= -0.170573 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010101 tlogG= -0.045622 logG= -0.055723 Density= 0.324046 ETOT(band)= -0.347971 trlgG= -0.434928 logG= -0.055723 TDE= -0.341470 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.024153 logG= -0.029133 Density= 0.214740 ETOT(band)= -0.234186 trlgG= -0.294503 logG= -0.029133 TDE= -0.171243 logGD-logG0= -0.005006 tlogG= -0.024158 logG= -0.029165 Density= 0.322440 ETOT(band)= -0.351248 trlgG= -0.441980 logG= -0.029165 TDE= -0.171238 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023758 logG= -0.028921 Density= 0.216280 ETOT(band)= -0.233051 trlgG= -0.293384 logG= -0.028921 TDE= -0.171434 logGD-logG0= -0.005037 tlogG= -0.023841 logG= -0.028878 logGD-logG0= -0.004565 tlogG= -0.023887 logG= -0.028452 Density= 0.213275 ETOT(band)= -0.233887 trlgG= -0.292473 logG= -0.028452 TDE= -0.170790 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215496 ETOT(band)= -0.233775 trlgG= -0.294248 logG= -0.028878 TDE= -0.171120 logGD-logG0= -0.010330 tlogG= -0.047778 logG= -0.058108 logGD-logG0= -0.004992 tlogG= -0.023241 logG= -0.028233 Density= 0.324353 ETOT(band)= -0.349934 trlgG= -0.440979 logG= -0.058108 TDE= -0.343044 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.048032 logG= -0.058647 Density= 0.323249 ETOT(band)= -0.351009 trlgG= -0.442326 logG= -0.058647 TDE= -0.343037 logGD-logG0= -0.005143 tlogG= -0.022964 logG= -0.028106 Density= 0.321699 ETOT(band)= -0.350597 trlgG= -0.439578 logG= -0.028233 TDE= -0.170861 Density= 0.216227 ETOT(band)= -0.232099 trlgG= -0.290561 logG= -0.028106 TDE= -0.170908 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047227 logG= -0.057604 logGD-logG0= -0.005211 tlogG= -0.024080 logG= -0.029291 Density= 0.324135 ETOT(band)= -0.349568 trlgG= -0.439632 logG= -0.057604 TDE= -0.342652 Density= 0.323063 ETOT(band)= -0.351218 trlgG= -0.442629 logG= -0.029291 TDE= -0.171431 logGD-logG0= -0.001681 tlogG= -0.007115 logG= -0.008796 Density= 0.072230 ETOT(band)= -0.076485 trlgG= -0.094833 logG= -0.008796 TDE= -0.056625 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010375 tlogG= -0.046406 logG= -0.056781 logGD-logG0= -0.004646 tlogG= -0.023364 logG= -0.028010 Density= 0.321631 ETOT(band)= -0.350092 trlgG= -0.438728 logG= -0.028010 TDE= -0.170907 Density= 0.323998 ETOT(band)= -0.348913 trlgG= -0.437547 logG= -0.056781 TDE= -0.342094 logGD-logG0= -0.001177 tlogG= -0.005170 logG= -0.006347 Density= 0.062539 ETOT(band)= -0.067552 trlgG= -0.084202 logG= -0.006347 TDE= -0.042361 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005328 tlogG= -0.023894 logG= -0.029222 Density= 0.215646 ETOT(band)= -0.233775 trlgG= -0.294526 logG= -0.029222 TDE= -0.171441 logGD-logG0= -0.009608 tlogG= -0.046598 logG= -0.056205 logGD-logG0= -0.004797 tlogG= -0.023833 logG= -0.028630 Density= 0.213568 ETOT(band)= -0.234172 trlgG= -0.293720 logG= -0.028630 TDE= -0.171055 Density= 0.322703 ETOT(band)= -0.349043 trlgG= -0.436366 logG= -0.056205 TDE= -0.341623 logGD-logG0= -0.004745 tlogG= -0.023241 logG= -0.027986 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023191 logG= -0.028323 Density= 0.214866 ETOT(band)= -0.232974 trlgG= -0.291196 logG= -0.028323 TDE= -0.170625 logGD-logG0= -0.005376 tlogG= -0.023680 logG= -0.029056 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215408 ETOT(band)= -0.233628 trlgG= -0.293829 logG= -0.029056 TDE= -0.171263 Density= 0.213492 ETOT(band)= -0.233640 trlgG= -0.292204 logG= -0.027986 TDE= -0.170751 logGD-logG0= -0.005313 tlogG= -0.023953 logG= -0.029266 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.022288 logG= -0.027199 Density= 0.214254 ETOT(band)= -0.232465 trlgG= -0.289422 logG= -0.027199 TDE= -0.170174 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323663 ETOT(band)= -0.350681 trlgG= -0.442069 logG= -0.029266 TDE= -0.171489 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010068 tlogG= -0.048141 logG= -0.058209 Density= 0.429298 ETOT(band)= -0.468306 trlgG= -0.588568 logG= -0.058209 TDE= -0.342326 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047832 logG= -0.057397 Density= 0.428030 ETOT(band)= -0.468200 trlgG= -0.587800 logG= -0.057397 TDE= -0.342279 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047949 logG= -0.058186 Density= 0.429201 ETOT(band)= -0.468268 trlgG= -0.588214 logG= -0.058186 TDE= -0.342166 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008883 tlogG= -0.048089 logG= -0.056972 Density= 0.425517 ETOT(band)= -0.468398 trlgG= -0.586423 logG= -0.056972 TDE= -0.341792 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009372 tlogG= -0.046707 logG= -0.056079 Density= 0.427880 ETOT(band)= -0.466178 trlgG= -0.581803 logG= -0.056079 TDE= -0.341233 logGD-logG0= -0.010411 tlogG= -0.048063 logG= -0.058475 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010580 tlogG= -0.047722 logG= -0.058301 Density= 0.430751 ETOT(band)= -0.467559 trlgG= -0.588292 logG= -0.058301 TDE= -0.342683 logGD-logG0= -0.004871 tlogG= -0.021297 logG= -0.026167 Density= 0.162650 ETOT(band)= -0.172997 trlgG= -0.215896 logG= -0.026167 TDE= -0.169888 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430143 ETOT(band)= -0.468137 trlgG= -0.589006 logG= -0.058475 TDE= -0.342666 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.047661 logG= -0.057840 logGD-logG0= -0.009428 tlogG= -0.046600 logG= -0.056028 Density= 0.428087 ETOT(band)= -0.466899 trlgG= -0.584408 logG= -0.056028 TDE= -0.341649 Density= 0.428284 ETOT(band)= -0.468182 trlgG= -0.587132 logG= -0.057840 TDE= -0.341920 logGD-logG0= -0.010201 tlogG= -0.048214 logG= -0.058415 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009574 tlogG= -0.047644 logG= -0.057217 Density= 0.430036 ETOT(band)= -0.468307 trlgG= -0.589335 logG= -0.058415 TDE= -0.342541 logGD-logG0= -0.010683 tlogG= -0.047685 logG= -0.058368 Density= 0.426660 ETOT(band)= -0.468419 trlgG= -0.586938 logG= -0.057217 TDE= -0.341811 Density= 0.431093 ETOT(band)= -0.467501 trlgG= -0.588650 logG= -0.058368 TDE= -0.342790 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009741 tlogG= -0.047846 logG= -0.057587 Density= 0.429132 ETOT(band)= -0.467972 trlgG= -0.587770 logG= -0.057587 TDE= -0.342266 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009527 tlogG= -0.047763 logG= -0.057290 logGD-logG0= -0.005144 tlogG= -0.023952 logG= -0.029096 Density= 0.216391 ETOT(band)= -0.233248 trlgG= -0.294088 logG= -0.029096 TDE= -0.171575 Density= 0.427165 ETOT(band)= -0.467967 trlgG= -0.585789 logG= -0.057290 TDE= -0.341513 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.046923 logG= -0.057164 Density= 0.429876 ETOT(band)= -0.466513 trlgG= -0.584170 logG= -0.057164 TDE= -0.341634 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009857 tlogG= -0.046393 logG= -0.056250 Density= 0.429525 ETOT(band)= -0.465601 trlgG= -0.581473 logG= -0.056250 TDE= -0.341344 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010607 tlogG= -0.048010 logG= -0.058617 Density= 0.431335 ETOT(band)= -0.467782 trlgG= -0.589643 logG= -0.058617 TDE= -0.343054 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006682 Density= 0.081200 ETOT(band)= -0.086361 trlgG= -0.107360 logG= -0.006682 TDE= -0.042574 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010164 tlogG= -0.047563 logG= -0.057727 Density= 0.430007 ETOT(band)= -0.467159 trlgG= -0.586099 logG= -0.057727 TDE= -0.342079 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009922 tlogG= -0.047552 logG= -0.057474 Density= 0.428601 ETOT(band)= -0.467526 trlgG= -0.586170 logG= -0.057474 TDE= -0.341965 logGD-logG0= -0.010639 tlogG= -0.047261 logG= -0.057900 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430480 ETOT(band)= -0.467136 trlgG= -0.586821 logG= -0.057900 TDE= -0.342299 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.022324 logG= -0.027121 Density= 0.322869 ETOT(band)= -0.348013 trlgG= -0.433977 logG= -0.027121 TDE= -0.170255 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 Density= 0.081559 ETOT(band)= -0.085692 trlgG= -0.106200 logG= -0.006502 TDE= -0.042463 logGD-logG0= -0.004953 tlogG= -0.021346 logG= -0.026300 Density= 0.217021 ETOT(band)= -0.229195 trlgG= -0.284253 logG= -0.026300 TDE= -0.169901 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009893 tlogG= -0.044615 logG= -0.054507 Density= 0.324287 ETOT(band)= -0.346702 trlgG= -0.431917 logG= -0.054507 TDE= -0.340792 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022470 logG= -0.027349 Density= 0.215019 ETOT(band)= -0.231686 trlgG= -0.288022 logG= -0.027349 TDE= -0.170187 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004912 tlogG= -0.021202 logG= -0.026113 Density= 0.216345 ETOT(band)= -0.230057 trlgG= -0.285512 logG= -0.026113 TDE= -0.169808 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005043 tlogG= -0.021875 logG= -0.026918 Density= 0.216627 ETOT(band)= -0.230304 trlgG= -0.286458 logG= -0.026918 TDE= -0.170233 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001569 tlogG= -0.006872 logG= -0.008442 Density= 0.040849 ETOT(band)= -0.042676 trlgG= -0.052792 logG= -0.008442 TDE= -0.056465 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009741 tlogG= -0.044618 logG= -0.054359 Density= 0.431603 ETOT(band)= -0.462123 trlgG= -0.574688 logG= -0.054359 TDE= -0.340429 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.847755274426 eV TrLogG= -407.235190213220 eV Ratio to renormalize= 1.000039025051 rho-rho_expected=-0.000858517616 nargs= 1 argi=dmft2.def 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964681705575357 0.940452693332781 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001475 tlogG= -0.007811 logG= -0.009286 Density= 0.035491 ETOT(band)= -0.038930 trlgG= -0.048604 logG= -0.009286 TDE= -0.056881 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001394 tlogG= -0.008044 logG= -0.009438 Density= 0.035311 ETOT(band)= -0.039082 trlgG= -0.048969 logG= -0.009438 TDE= -0.057005 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024050 logG= -0.028338 Density= 0.106112 ETOT(band)= -0.117182 trlgG= -0.146780 logG= -0.028338 TDE= -0.170951 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.022406 logG= -0.027385 Density= 0.107634 ETOT(band)= -0.115975 trlgG= -0.144431 logG= -0.027385 TDE= -0.170308 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002385 tlogG= -0.010425 logG= -0.012810 Density= 0.054379 ETOT(band)= -0.057077 trlgG= -0.070688 logG= -0.012810 TDE= -0.084787 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001679 tlogG= -0.007304 logG= -0.008983 Density= 0.035843 ETOT(band)= -0.038580 trlgG= -0.047906 logG= -0.008983 TDE= -0.056660 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001613 tlogG= -0.006991 logG= -0.008603 Density= 0.036196 ETOT(band)= -0.038130 trlgG= -0.047244 logG= -0.008603 TDE= -0.056553 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.021693 logG= -0.026668 Density= 0.107931 ETOT(band)= -0.115354 trlgG= -0.143246 logG= -0.026668 TDE= -0.169988 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002309 tlogG= -0.011883 logG= -0.014191 Density= 0.053561 ETOT(band)= -0.058407 trlgG= -0.073259 logG= -0.014191 TDE= -0.085573 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.024044 logG= -0.028556 Density= 0.106385 ETOT(band)= -0.117169 trlgG= -0.146787 logG= -0.028556 TDE= -0.170876 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.023682 logG= -0.028936 Density= 0.107231 ETOT(band)= -0.117014 trlgG= -0.146835 logG= -0.028936 TDE= -0.170962 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023685 logG= -0.028360 logGD-logG0= -0.004998 tlogG= -0.022732 logG= -0.027730 Density= 0.108250 ETOT(band)= -0.115882 trlgG= -0.144986 logG= -0.027730 TDE= -0.170824 Density= 0.106974 ETOT(band)= -0.116855 trlgG= -0.146475 logG= -0.028360 TDE= -0.171051 logGD-logG0= -0.004871 tlogG= -0.023891 logG= -0.028762 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106755 ETOT(band)= -0.117128 trlgG= -0.146898 logG= -0.028762 TDE= -0.170964 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023194 logG= -0.028463 Density= 0.107683 ETOT(band)= -0.116555 trlgG= -0.146136 logG= -0.028463 TDE= -0.170960 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010840 logG= -0.013286 Density= 0.054063 ETOT(band)= -0.057595 trlgG= -0.071535 logG= -0.013286 TDE= -0.085003 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002586 tlogG= -0.012031 logG= -0.014617 logGD-logG0= -0.002316 tlogG= -0.011447 logG= -0.013763 Density= 0.053763 ETOT(band)= -0.058539 trlgG= -0.073678 logG= -0.014617 TDE= -0.085666 Density= 0.053736 ETOT(band)= -0.058076 trlgG= -0.072495 logG= -0.013763 TDE= -0.085323 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002404 tlogG= -0.012081 logG= -0.014485 Density= 0.053584 ETOT(band)= -0.058551 trlgG= -0.073621 logG= -0.014485 TDE= -0.085652 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.023428 logG= -0.028541 Density= 0.108132 ETOT(band)= -0.116388 trlgG= -0.146272 logG= -0.028541 TDE= -0.171241 logGD-logG0= -0.002542 tlogG= -0.011983 logG= -0.014525 Density= 0.054139 ETOT(band)= -0.058300 trlgG= -0.073541 logG= -0.014525 TDE= -0.085806 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.022980 logG= -0.028051 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.023948 logG= -0.029052 Density= 0.108137 ETOT(band)= -0.116118 trlgG= -0.145497 logG= -0.028051 TDE= -0.170958 Density= 0.108230 ETOT(band)= -0.116624 trlgG= -0.147086 logG= -0.029052 TDE= -0.171592 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023762 logG= -0.028879 logGD-logG0= -0.005003 tlogG= -0.022455 logG= -0.027458 Density= 0.108205 ETOT(band)= -0.115746 trlgG= -0.144550 logG= -0.027458 TDE= -0.170637 logGD-logG0= -0.005246 tlogG= -0.024069 logG= -0.029315 Density= 0.108180 ETOT(band)= -0.116550 trlgG= -0.146808 logG= -0.028879 TDE= -0.171462 logGD-logG0= -0.002611 tlogG= -0.011987 logG= -0.014598 Density= 0.053984 ETOT(band)= -0.058421 trlgG= -0.073662 logG= -0.014598 TDE= -0.085778 Density= 0.107644 ETOT(band)= -0.117079 trlgG= -0.147502 logG= -0.029315 TDE= -0.171454 logGD-logG0= -0.004797 tlogG= -0.023686 logG= -0.028484 Density= 0.107378 ETOT(band)= -0.116734 trlgG= -0.146383 logG= -0.028484 TDE= -0.171036 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004315 tlogG= -0.023973 logG= -0.028288 Density= 0.106164 ETOT(band)= -0.117138 trlgG= -0.146666 logG= -0.028288 TDE= -0.170913 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004920 tlogG= -0.022167 logG= -0.027088 Density= 0.108361 ETOT(band)= -0.115439 trlgG= -0.143942 logG= -0.027088 TDE= -0.170477 logGD-logG0= -0.004589 tlogG= -0.023204 logG= -0.027793 Density= 0.106733 ETOT(band)= -0.116636 trlgG= -0.145458 logG= -0.027793 TDE= -0.170482 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004831 tlogG= -0.022848 logG= -0.027678 logGD-logG0= -0.005063 tlogG= -0.023214 logG= -0.028277 Density= 0.107748 ETOT(band)= -0.116103 trlgG= -0.144915 logG= -0.027678 TDE= -0.170555 logGD-logG0= -0.004965 tlogG= -0.023641 logG= -0.028607 Density= 0.106977 ETOT(band)= -0.116944 trlgG= -0.146285 logG= -0.028607 TDE= -0.170616 Density= 0.108196 ETOT(band)= -0.116211 trlgG= -0.145853 logG= -0.028277 TDE= -0.171117 logGD-logG0= -0.005279 tlogG= -0.023900 logG= -0.029179 logGD-logG0= -0.005091 tlogG= -0.023869 logG= -0.028960 Density= 0.108251 ETOT(band)= -0.116560 trlgG= -0.146937 logG= -0.028960 TDE= -0.171545 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107753 ETOT(band)= -0.116944 trlgG= -0.147287 logG= -0.029179 TDE= -0.171429 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.023603 logG= -0.028697 Density= 0.108205 ETOT(band)= -0.116434 trlgG= -0.146516 logG= -0.028697 TDE= -0.171365 logGD-logG0= -0.005288 tlogG= -0.024131 logG= -0.029419 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024085 logG= -0.029340 Density= 0.107889 ETOT(band)= -0.116985 trlgG= -0.147565 logG= -0.029340 TDE= -0.171614 Density= 0.107813 ETOT(band)= -0.117074 trlgG= -0.147691 logG= -0.029419 TDE= -0.171622 logGD-logG0= -0.004676 tlogG= -0.022988 logG= -0.027664 Density= 0.106869 ETOT(band)= -0.116505 trlgG= -0.145195 logG= -0.027664 TDE= -0.170416 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004647 tlogG= -0.023667 logG= -0.028314 logGD-logG0= -0.005078 tlogG= -0.022873 logG= -0.027951 Density= 0.107616 ETOT(band)= -0.116308 trlgG= -0.145327 logG= -0.027951 TDE= -0.170630 logGD-logG0= -0.004961 tlogG= -0.024091 logG= -0.029052 Density= 0.106595 ETOT(band)= -0.116974 trlgG= -0.146372 logG= -0.028314 TDE= -0.170806 logGD-logG0= -0.005197 tlogG= -0.023965 logG= -0.029162 Density= 0.107444 ETOT(band)= -0.117065 trlgG= -0.147229 logG= -0.029162 TDE= -0.171236 Density= 0.107380 ETOT(band)= -0.117045 trlgG= -0.147124 logG= -0.029052 TDE= -0.171210 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023498 logG= -0.028200 Density= 0.106771 ETOT(band)= -0.116827 trlgG= -0.145942 logG= -0.028200 TDE= -0.170577 logGD-logG0= -0.004848 tlogG= -0.024067 logG= -0.028915 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107055 ETOT(band)= -0.117108 trlgG= -0.147152 logG= -0.028915 TDE= -0.171212 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.022850 logG= -0.027558 Density= 0.107296 ETOT(band)= -0.116250 trlgG= -0.145042 logG= -0.027558 TDE= -0.170580 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.024057 logG= -0.029286 logGD-logG0= -0.005241 tlogG= -0.023868 logG= -0.029109 Density= 0.107917 ETOT(band)= -0.116812 trlgG= -0.147180 logG= -0.029109 TDE= -0.171473 Density= 0.107948 ETOT(band)= -0.116918 trlgG= -0.147477 logG= -0.029286 TDE= -0.171608 logGD-logG0= -0.005279 tlogG= -0.023578 logG= -0.028856 Density= 0.107801 ETOT(band)= -0.116716 trlgG= -0.146765 logG= -0.028856 TDE= -0.171254 logGD-logG0= -0.001420 tlogG= -0.007965 logG= -0.009385 Density= 0.070864 ETOT(band)= -0.077963 trlgG= -0.097451 logG= -0.009385 TDE= -0.056966 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.048241 logG= -0.057959 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214402 ETOT(band)= -0.234172 trlgG= -0.294377 logG= -0.057959 TDE= -0.342515 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009405 tlogG= -0.045757 logG= -0.055162 Density= 0.215017 ETOT(band)= -0.232331 trlgG= -0.289985 logG= -0.055162 TDE= -0.341224 logGD-logG0= -0.009585 tlogG= -0.047156 logG= -0.056741 Density= 0.213763 ETOT(band)= -0.233769 trlgG= -0.292804 logG= -0.056741 TDE= -0.341843 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009043 tlogG= -0.047629 logG= -0.056671 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212919 ETOT(band)= -0.234072 trlgG= -0.292877 logG= -0.056671 TDE= -0.341569 logGD-logG0= -0.009864 tlogG= -0.047897 logG= -0.057762 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213968 ETOT(band)= -0.234212 trlgG= -0.294066 logG= -0.057762 TDE= -0.342187 logGD-logG0= -0.009745 tlogG= -0.047152 logG= -0.056897 logGD-logG0= -0.010440 tlogG= -0.047744 logG= -0.058184 Density= 0.213775 ETOT(band)= -0.233813 trlgG= -0.292595 logG= -0.056897 TDE= -0.341485 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214758 ETOT(band)= -0.234095 trlgG= -0.294212 logG= -0.058184 TDE= -0.342301 logGD-logG0= -0.009357 tlogG= -0.047444 logG= -0.056802 Density= 0.214310 ETOT(band)= -0.233598 trlgG= -0.292932 logG= -0.056802 TDE= -0.342182 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.047977 logG= -0.058220 logGD-logG0= -0.010395 tlogG= -0.048078 logG= -0.058473 Density= 0.215073 ETOT(band)= -0.234147 trlgG= -0.294722 logG= -0.058473 TDE= -0.342678 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215076 ETOT(band)= -0.234002 trlgG= -0.294305 logG= -0.058220 TDE= -0.342516 logGD-logG0= -0.010305 tlogG= -0.047784 logG= -0.058088 Density= 0.214657 ETOT(band)= -0.234089 trlgG= -0.294043 logG= -0.058088 TDE= -0.342178 logGD-logG0= -0.009685 tlogG= -0.045587 logG= -0.055272 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009472 tlogG= -0.047928 logG= -0.057400 Density= 0.213269 ETOT(band)= -0.234279 trlgG= -0.293520 logG= -0.057400 TDE= -0.341656 logGD-logG0= -0.009988 tlogG= -0.048026 logG= -0.058014 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214360 ETOT(band)= -0.232684 trlgG= -0.290165 logG= -0.055272 TDE= -0.340969 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214533 ETOT(band)= -0.234118 trlgG= -0.294125 logG= -0.058014 TDE= -0.342273 logGD-logG0= -0.009789 tlogG= -0.045646 logG= -0.055435 Density= 0.215150 ETOT(band)= -0.232406 trlgG= -0.289976 logG= -0.055435 TDE= -0.341008 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010105 tlogG= -0.047657 logG= -0.057762 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213948 ETOT(band)= -0.234199 trlgG= -0.293819 logG= -0.057762 TDE= -0.341929 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010458 tlogG= -0.047938 logG= -0.058396 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215901 ETOT(band)= -0.233707 trlgG= -0.294654 logG= -0.058396 TDE= -0.343096 logGD-logG0= -0.010476 tlogG= -0.048012 logG= -0.058488 logGD-logG0= -0.010532 tlogG= -0.047525 logG= -0.058058 Density= 0.215110 ETOT(band)= -0.234138 trlgG= -0.294749 logG= -0.058488 TDE= -0.342708 Density= 0.215704 ETOT(band)= -0.233591 trlgG= -0.294092 logG= -0.058058 TDE= -0.342776 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010332 tlogG= -0.047306 logG= -0.057638 Density= 0.214261 ETOT(band)= -0.233991 trlgG= -0.293295 logG= -0.057638 TDE= -0.341684 logGD-logG0= -0.010541 tlogG= -0.046876 logG= -0.057417 Density= 0.215432 ETOT(band)= -0.233356 trlgG= -0.293052 logG= -0.057417 TDE= -0.342242 logGD-logG0= -0.001177 tlogG= -0.005171 logG= -0.006348 Density= 0.062539 ETOT(band)= -0.067554 trlgG= -0.084205 logG= -0.006348 TDE= -0.042362 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.047418 logG= -0.057917 logGD-logG0= -0.010512 tlogG= -0.047887 logG= -0.058399 logGD-logG0= -0.010102 tlogG= -0.046409 logG= -0.056511 Density= 0.215217 ETOT(band)= -0.232967 trlgG= -0.291609 logG= -0.056511 TDE= -0.341598 Density= 0.215772 ETOT(band)= -0.233780 trlgG= -0.294656 logG= -0.058399 TDE= -0.343032 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215471 ETOT(band)= -0.233633 trlgG= -0.293852 logG= -0.057917 TDE= -0.342561 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.048142 logG= -0.058732 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215428 ETOT(band)= -0.234162 trlgG= -0.295185 logG= -0.058732 TDE= -0.343058 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009713 tlogG= -0.047221 logG= -0.056934 Density= 0.214477 ETOT(band)= -0.233558 trlgG= -0.292705 logG= -0.056934 TDE= -0.341905 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007588 logG= -0.009147 logGD-logG0= -0.004929 tlogG= -0.022904 logG= -0.027833 Density= 0.214796 ETOT(band)= -0.232430 trlgG= -0.289679 logG= -0.027833 TDE= -0.170444 logGD-logG0= -0.010014 tlogG= -0.047149 logG= -0.057163 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215153 ETOT(band)= -0.233369 trlgG= -0.292627 logG= -0.057163 TDE= -0.341932 Density= 0.071496 ETOT(band)= -0.077358 trlgG= -0.096152 logG= -0.009147 TDE= -0.056741 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.021873 logG= -0.026828 Density= 0.108325 ETOT(band)= -0.115256 trlgG= -0.143493 logG= -0.026828 TDE= -0.170270 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001196 tlogG= -0.005306 logG= -0.006502 Density= 0.081560 ETOT(band)= -0.085695 trlgG= -0.106204 logG= -0.006502 TDE= -0.042464 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004869 tlogG= -0.021562 logG= -0.026431 logGD-logG0= -0.004262 tlogG= -0.024130 logG= -0.028392 Density= 0.212163 ETOT(band)= -0.234414 trlgG= -0.293683 logG= -0.028392 TDE= -0.170990 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108515 ETOT(band)= -0.114889 trlgG= -0.142813 logG= -0.026431 TDE= -0.170081 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004788 tlogG= -0.020987 logG= -0.025775 Density= 0.108712 ETOT(band)= -0.114300 trlgG= -0.141655 logG= -0.025775 TDE= -0.169677 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001681 tlogG= -0.007116 logG= -0.008797 Density= 0.072231 ETOT(band)= -0.076488 trlgG= -0.094836 logG= -0.008797 TDE= -0.056627 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021816 logG= -0.026851 Density= 0.107788 ETOT(band)= -0.115547 trlgG= -0.143556 logG= -0.026851 TDE= -0.170044 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009945 tlogG= -0.043386 logG= -0.053331 Density= 0.216279 ETOT(band)= -0.230495 trlgG= -0.286467 logG= -0.053331 TDE= -0.340161 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004911 tlogG= -0.021204 logG= -0.026115 Density= 0.216347 ETOT(band)= -0.230066 trlgG= -0.285524 logG= -0.026115 TDE= -0.169813 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001249 tlogG= -0.005747 logG= -0.006996 Density= 0.080636 ETOT(band)= -0.087407 trlgG= -0.109607 logG= -0.006996 TDE= -0.042749 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004540 tlogG= -0.023971 logG= -0.028511 Density= 0.212802 ETOT(band)= -0.234308 trlgG= -0.293480 logG= -0.028511 TDE= -0.170843 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.023955 logG= -0.028995 Density= 0.214340 ETOT(band)= -0.234124 trlgG= -0.293902 logG= -0.028995 TDE= -0.171075 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.022966 logG= -0.028108 Density= 0.216229 ETOT(band)= -0.232107 trlgG= -0.290574 logG= -0.028108 TDE= -0.170913 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004797 tlogG= -0.023835 logG= -0.028631 Density= 0.213570 ETOT(band)= -0.234181 trlgG= -0.293733 logG= -0.028631 TDE= -0.171061 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023369 logG= -0.027983 Density= 0.214182 ETOT(band)= -0.233404 trlgG= -0.292327 logG= -0.027983 TDE= -0.170920 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023353 logG= -0.028750 Density= 0.215109 ETOT(band)= -0.233380 trlgG= -0.292702 logG= -0.028750 TDE= -0.170975 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001215 tlogG= -0.005467 logG= -0.006683 Density= 0.081201 ETOT(band)= -0.086364 trlgG= -0.107364 logG= -0.006683 TDE= -0.042575 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005938 logG= -0.007206 Density= 0.080833 ETOT(band)= -0.087656 trlgG= -0.110358 logG= -0.007206 TDE= -0.042869 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005619 logG= -0.006847 Density= 0.080838 ETOT(band)= -0.086978 trlgG= -0.108603 logG= -0.006847 TDE= -0.042673 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.023999 logG= -0.029185 Density= 0.215690 ETOT(band)= -0.233880 trlgG= -0.294811 logG= -0.029185 TDE= -0.171590 logGD-logG0= -0.001266 tlogG= -0.005983 logG= -0.007250 Density= 0.081062 ETOT(band)= -0.087559 trlgG= -0.110411 logG= -0.007250 TDE= -0.042899 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023480 logG= -0.028694 Density= 0.215217 ETOT(band)= -0.233354 trlgG= -0.292894 logG= -0.028694 TDE= -0.171180 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005855 logG= -0.007118 Density= 0.080649 ETOT(band)= -0.087622 trlgG= -0.110161 logG= -0.007118 TDE= -0.042815 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023998 logG= -0.029147 Density= 0.216360 ETOT(band)= -0.233360 trlgG= -0.294332 logG= -0.029147 TDE= -0.171607 logGD-logG0= -0.005220 tlogG= -0.023797 logG= -0.029017 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215337 ETOT(band)= -0.233788 trlgG= -0.294156 logG= -0.029017 TDE= -0.171437 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023843 logG= -0.028880 Density= 0.215499 ETOT(band)= -0.233783 trlgG= -0.294260 logG= -0.028880 TDE= -0.171125 logGD-logG0= -0.005170 tlogG= -0.023413 logG= -0.028583 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216202 ETOT(band)= -0.232680 trlgG= -0.292189 logG= -0.028583 TDE= -0.171200 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.022437 logG= -0.027518 Density= 0.216374 ETOT(band)= -0.231309 trlgG= -0.288588 logG= -0.027518 TDE= -0.170579 logGD-logG0= -0.004879 tlogG= -0.023881 logG= -0.028760 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213786 ETOT(band)= -0.234041 trlgG= -0.292996 logG= -0.028760 TDE= -0.170805 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004734 tlogG= -0.024004 logG= -0.028738 Density= 0.321566 ETOT(band)= -0.351152 trlgG= -0.441322 logG= -0.028738 TDE= -0.171237 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023243 logG= -0.027988 logGD-logG0= -0.005279 tlogG= -0.024120 logG= -0.029400 Density= 0.215723 ETOT(band)= -0.234036 trlgG= -0.295226 logG= -0.029400 TDE= -0.171622 Density= 0.213494 ETOT(band)= -0.233649 trlgG= -0.292217 logG= -0.027988 TDE= -0.170757 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023954 logG= -0.029097 Density= 0.216394 ETOT(band)= -0.233256 trlgG= -0.294100 logG= -0.029097 TDE= -0.171580 logGD-logG0= -0.004395 tlogG= -0.023739 logG= -0.028134 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004451 tlogG= -0.023585 logG= -0.028036 Density= 0.212611 ETOT(band)= -0.234032 trlgG= -0.292734 logG= -0.028036 TDE= -0.170707 logGD-logG0= -0.004701 tlogG= -0.024005 logG= -0.028707 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214120 ETOT(band)= -0.234116 trlgG= -0.294120 logG= -0.028707 TDE= -0.171242 Density= 0.213080 ETOT(band)= -0.233622 trlgG= -0.291758 logG= -0.028134 TDE= -0.170792 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.024160 logG= -0.029166 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010375 tlogG= -0.047231 logG= -0.057607 Density= 0.324139 ETOT(band)= -0.349580 trlgG= -0.439650 logG= -0.057607 TDE= -0.342662 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.047782 logG= -0.058111 Density= 0.324358 ETOT(band)= -0.349946 trlgG= -0.440997 logG= -0.058111 TDE= -0.343054 Density= 0.322444 ETOT(band)= -0.351261 trlgG= -0.441999 logG= -0.029166 TDE= -0.171243 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023366 logG= -0.028011 Density= 0.321635 ETOT(band)= -0.350105 trlgG= -0.438746 logG= -0.028011 TDE= -0.170912 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023193 logG= -0.028324 Density= 0.214868 ETOT(band)= -0.232983 trlgG= -0.291209 logG= -0.028324 TDE= -0.170631 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023760 logG= -0.028923 logGD-logG0= -0.010614 tlogG= -0.048037 logG= -0.058650 Density= 0.216283 ETOT(band)= -0.233059 trlgG= -0.293396 logG= -0.028923 TDE= -0.171439 Density= 0.323253 ETOT(band)= -0.351022 trlgG= -0.442344 logG= -0.058650 TDE= -0.343048 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.023243 logG= -0.028234 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004565 tlogG= -0.023888 logG= -0.028454 logGD-logG0= -0.004980 tlogG= -0.024155 logG= -0.029135 Density= 0.214743 ETOT(band)= -0.234194 trlgG= -0.294516 logG= -0.029135 TDE= -0.171248 Density= 0.321703 ETOT(band)= -0.350610 trlgG= -0.439597 logG= -0.028234 TDE= -0.170867 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213277 ETOT(band)= -0.233896 trlgG= -0.292486 logG= -0.028454 TDE= -0.170795 logGD-logG0= -0.010100 tlogG= -0.045626 logG= -0.055726 Density= 0.324050 ETOT(band)= -0.347983 trlgG= -0.434946 logG= -0.055726 TDE= -0.341481 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010373 tlogG= -0.046411 logG= -0.056784 logGD-logG0= -0.009607 tlogG= -0.046601 logG= -0.056208 Density= 0.324003 ETOT(band)= -0.348925 trlgG= -0.437565 logG= -0.056784 TDE= -0.342105 Density= 0.322707 ETOT(band)= -0.349056 trlgG= -0.436384 logG= -0.056208 TDE= -0.341634 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005327 tlogG= -0.023896 logG= -0.029224 Density= 0.215649 ETOT(band)= -0.233783 trlgG= -0.294538 logG= -0.029224 TDE= -0.171446 logGD-logG0= -0.005211 tlogG= -0.024082 logG= -0.029293 logGD-logG0= -0.005312 tlogG= -0.023956 logG= -0.029268 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323068 ETOT(band)= -0.351230 trlgG= -0.442648 logG= -0.029293 TDE= -0.171436 Density= 0.323667 ETOT(band)= -0.350693 trlgG= -0.442088 logG= -0.029268 TDE= -0.171494 logGD-logG0= -0.005376 tlogG= -0.023682 logG= -0.029058 Density= 0.215411 ETOT(band)= -0.233636 trlgG= -0.293841 logG= -0.029058 TDE= -0.171269 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008882 tlogG= -0.048093 logG= -0.056975 Density= 0.425521 ETOT(band)= -0.468415 trlgG= -0.586449 logG= -0.056975 TDE= -0.341803 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009564 tlogG= -0.047836 logG= -0.057400 Density= 0.428035 ETOT(band)= -0.468217 trlgG= -0.587825 logG= -0.057400 TDE= -0.342290 logGD-logG0= -0.010236 tlogG= -0.047953 logG= -0.058189 Density= 0.429206 ETOT(band)= -0.468285 trlgG= -0.588240 logG= -0.058189 TDE= -0.342177 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.021299 logG= -0.026169 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010067 tlogG= -0.048145 logG= -0.058212 Density= 0.162652 ETOT(band)= -0.173003 trlgG= -0.215905 logG= -0.026169 TDE= -0.169893 Density= 0.429303 ETOT(band)= -0.468323 trlgG= -0.588593 logG= -0.058212 TDE= -0.342336 logGD-logG0= -0.009427 tlogG= -0.046604 logG= -0.056031 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428092 ETOT(band)= -0.466916 trlgG= -0.584433 logG= -0.056031 TDE= -0.341659 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010411 tlogG= -0.048067 logG= -0.058478 logGD-logG0= -0.009740 tlogG= -0.047850 logG= -0.057590 Density= 0.429137 ETOT(band)= -0.467988 trlgG= -0.587794 logG= -0.057590 TDE= -0.342276 logGD-logG0= -0.010178 tlogG= -0.047665 logG= -0.057843 Density= 0.430149 ETOT(band)= -0.468154 trlgG= -0.589032 logG= -0.058478 TDE= -0.342677 Density= 0.428289 ETOT(band)= -0.468199 trlgG= -0.587157 logG= -0.057843 TDE= -0.341931 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010579 tlogG= -0.047725 logG= -0.058304 Density= 0.430757 ETOT(band)= -0.467575 trlgG= -0.588316 logG= -0.058304 TDE= -0.342694 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009372 tlogG= -0.046710 logG= -0.056082 logGD-logG0= -0.010681 tlogG= -0.047689 logG= -0.058370 Density= 0.427885 ETOT(band)= -0.466196 trlgG= -0.581828 logG= -0.056082 TDE= -0.341244 Density= 0.431098 ETOT(band)= -0.467517 trlgG= -0.588675 logG= -0.058370 TDE= -0.342801 logGD-logG0= -0.009527 tlogG= -0.047766 logG= -0.057293 Density= 0.427169 ETOT(band)= -0.467984 trlgG= -0.585814 logG= -0.057293 TDE= -0.341523 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009573 tlogG= -0.047647 logG= -0.057220 Density= 0.426664 ETOT(band)= -0.468436 trlgG= -0.586964 logG= -0.057220 TDE= -0.341821 logGD-logG0= -0.010605 tlogG= -0.048015 logG= -0.058620 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431340 ETOT(band)= -0.467798 trlgG= -0.589668 logG= -0.058620 TDE= -0.343065 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.048218 logG= -0.058418 Density= 0.430042 ETOT(band)= -0.468324 trlgG= -0.589360 logG= -0.058418 TDE= -0.342552 logGD-logG0= -0.009856 tlogG= -0.046397 logG= -0.056253 Density= 0.429530 ETOT(band)= -0.465618 trlgG= -0.581497 logG= -0.056253 TDE= -0.341355 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010240 tlogG= -0.046927 logG= -0.057167 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429881 ETOT(band)= -0.466530 trlgG= -0.584195 logG= -0.057167 TDE= -0.341645 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.047556 logG= -0.057477 Density= 0.428606 ETOT(band)= -0.467543 trlgG= -0.586195 logG= -0.057477 TDE= -0.341975 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010638 tlogG= -0.047264 logG= -0.057903 Density= 0.430485 ETOT(band)= -0.467152 trlgG= -0.586846 logG= -0.057903 TDE= -0.342310 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.047566 logG= -0.057730 Density= 0.430013 ETOT(band)= -0.467176 trlgG= -0.586124 logG= -0.057730 TDE= -0.342090 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009892 tlogG= -0.044618 logG= -0.054510 logGD-logG0= -0.004756 tlogG= -0.022325 logG= -0.027082 Density= 0.324291 ETOT(band)= -0.346714 trlgG= -0.431935 logG= -0.054510 TDE= -0.340803 Density= 0.215027 ETOT(band)= -0.231983 trlgG= -0.289079 logG= -0.027082 TDE= -0.170266 logGD-logG0= -0.004797 tlogG= -0.022326 logG= -0.027122 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322873 ETOT(band)= -0.348025 trlgG= -0.433995 logG= -0.027122 TDE= -0.170260 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001569 tlogG= -0.006873 logG= -0.008442 Density= 0.040849 ETOT(band)= -0.042677 trlgG= -0.052794 logG= -0.008442 TDE= -0.056467 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004910 tlogG= -0.022290 logG= -0.027200 Density= 0.214257 ETOT(band)= -0.232474 trlgG= -0.289434 logG= -0.027200 TDE= -0.170179 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.022472 logG= -0.027350 Density= 0.215021 ETOT(band)= -0.231694 trlgG= -0.288034 logG= -0.027350 TDE= -0.170192 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.021877 logG= -0.026920 Density= 0.216630 ETOT(band)= -0.230312 trlgG= -0.286470 logG= -0.026920 TDE= -0.170238 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004953 tlogG= -0.021349 logG= -0.026301 Density= 0.217024 ETOT(band)= -0.229203 trlgG= -0.284265 logG= -0.026301 TDE= -0.169906 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009740 tlogG= -0.044622 logG= -0.054361 Density= 0.431608 ETOT(band)= -0.462139 trlgG= -0.574712 logG= -0.054361 TDE= -0.340440 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.859377437447 eV TrLogG= -407.254152313190 eV Ratio to renormalize= 1.000027149869 rho-rho_expected=-0.000597280901 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 80) Finished k-point number 162 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 48) Finished k-point number 98 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 77) Finished k-point number 156 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964627293807271 0.940344885221701 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001475 tlogG= -0.007808 logG= -0.009284 Density= 0.035489 ETOT(band)= -0.038923 trlgG= -0.048594 logG= -0.009284 TDE= -0.056873 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004290 tlogG= -0.024042 logG= -0.028332 Density= 0.106108 ETOT(band)= -0.117160 trlgG= -0.146750 logG= -0.028332 TDE= -0.170925 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004591 tlogG= -0.023196 logG= -0.027787 Density= 0.106728 ETOT(band)= -0.116616 trlgG= -0.145429 logG= -0.027787 TDE= -0.170456 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.023491 logG= -0.028194 Density= 0.106765 ETOT(band)= -0.116806 trlgG= -0.145913 logG= -0.028194 TDE= -0.170552 logGD-logG0= -0.004982 tlogG= -0.022398 logG= -0.027380 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107628 ETOT(band)= -0.115955 trlgG= -0.144404 logG= -0.027380 TDE= -0.170283 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004678 tlogG= -0.022980 logG= -0.027658 Density= 0.106864 ETOT(band)= -0.116484 trlgG= -0.145166 logG= -0.027658 TDE= -0.170390 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007301 logG= -0.008981 Density= 0.035841 ETOT(band)= -0.038574 trlgG= -0.047897 logG= -0.008981 TDE= -0.056652 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005851 logG= -0.001047 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002310 tlogG= -0.011878 logG= -0.014188 Density= 0.053558 ETOT(band)= -0.058397 trlgG= -0.073245 logG= -0.014188 TDE= -0.085560 logGD-logG0= -0.002405 tlogG= -0.012077 logG= -0.014482 Density= 0.053581 ETOT(band)= -0.058541 trlgG= -0.073607 logG= -0.014482 TDE= -0.085640 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004873 tlogG= -0.021553 logG= -0.026426 Density= 0.108509 ETOT(band)= -0.114870 trlgG= -0.142787 logG= -0.026426 TDE= -0.170056 logGD-logG0= -0.002587 tlogG= -0.012027 logG= -0.014614 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001395 tlogG= -0.008041 logG= -0.009436 Density= 0.035310 ETOT(band)= -0.039075 trlgG= -0.048959 logG= -0.009436 TDE= -0.056996 Density= 0.053760 ETOT(band)= -0.058529 trlgG= -0.073664 logG= -0.014614 TDE= -0.085653 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002317 tlogG= -0.011443 logG= -0.013760 Density= 0.053733 ETOT(band)= -0.058066 trlgG= -0.072481 logG= -0.013760 TDE= -0.085311 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023938 logG= -0.029047 Density= 0.108222 ETOT(band)= -0.116606 trlgG= -0.147059 logG= -0.029047 TDE= -0.171566 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.022446 logG= -0.027453 Density= 0.108198 ETOT(band)= -0.115727 trlgG= -0.144523 logG= -0.027453 TDE= -0.170612 logGD-logG0= -0.002544 tlogG= -0.011978 logG= -0.014522 Density= 0.054134 ETOT(band)= -0.058291 trlgG= -0.073527 logG= -0.014522 TDE= -0.085793 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.023419 logG= -0.028535 Density= 0.108125 ETOT(band)= -0.116370 trlgG= -0.146245 logG= -0.028535 TDE= -0.171215 logGD-logG0= -0.005249 tlogG= -0.024061 logG= -0.029310 logGD-logG0= -0.004317 tlogG= -0.023965 logG= -0.028282 Density= 0.106160 ETOT(band)= -0.117116 trlgG= -0.146636 logG= -0.028282 TDE= -0.170888 Density= 0.107636 ETOT(band)= -0.117059 trlgG= -0.147474 logG= -0.029310 TDE= -0.171428 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.023752 logG= -0.028873 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108172 ETOT(band)= -0.116531 trlgG= -0.146781 logG= -0.028873 TDE= -0.171436 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004513 tlogG= -0.024037 logG= -0.028550 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002613 tlogG= -0.011982 logG= -0.014595 logGD-logG0= -0.005075 tlogG= -0.022971 logG= -0.028046 Density= 0.108129 ETOT(band)= -0.116100 trlgG= -0.145471 logG= -0.028046 TDE= -0.170933 Density= 0.053980 ETOT(band)= -0.058412 trlgG= -0.073648 logG= -0.014595 TDE= -0.085765 logGD-logG0= -0.004924 tlogG= -0.022158 logG= -0.027082 Density= 0.108354 ETOT(band)= -0.115421 trlgG= -0.143916 logG= -0.027082 TDE= -0.170452 Density= 0.106380 ETOT(band)= -0.117148 trlgG= -0.146758 logG= -0.028550 TDE= -0.170850 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.023860 logG= -0.028955 Density= 0.108243 ETOT(band)= -0.116542 trlgG= -0.146910 logG= -0.028955 TDE= -0.171519 logGD-logG0= -0.005098 tlogG= -0.023593 logG= -0.028692 Density= 0.108197 ETOT(band)= -0.116416 trlgG= -0.146490 logG= -0.028692 TDE= -0.171339 logGD-logG0= -0.004966 tlogG= -0.023635 logG= -0.028601 Density= 0.106971 ETOT(band)= -0.116924 trlgG= -0.146256 logG= -0.028601 TDE= -0.170590 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005257 tlogG= -0.023673 logG= -0.028930 Density= 0.107224 ETOT(band)= -0.116994 trlgG= -0.146806 logG= -0.028930 TDE= -0.170936 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023204 logG= -0.028272 Density= 0.108189 ETOT(band)= -0.116193 trlgG= -0.145826 logG= -0.028272 TDE= -0.171092 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004679 tlogG= -0.023676 logG= -0.028355 Density= 0.106968 ETOT(band)= -0.116835 trlgG= -0.146447 logG= -0.028355 TDE= -0.171025 logGD-logG0= -0.004648 tlogG= -0.023660 logG= -0.028308 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106590 ETOT(band)= -0.116953 trlgG= -0.146342 logG= -0.028308 TDE= -0.170780 logGD-logG0= -0.005293 tlogG= -0.024121 logG= -0.029414 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.024075 logG= -0.029335 Density= 0.107882 ETOT(band)= -0.116967 trlgG= -0.147537 logG= -0.029335 TDE= -0.171588 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107805 ETOT(band)= -0.117055 trlgG= -0.147663 logG= -0.029414 TDE= -0.171596 logGD-logG0= -0.005199 tlogG= -0.023957 logG= -0.029156 Density= 0.107437 ETOT(band)= -0.117046 trlgG= -0.147201 logG= -0.029156 TDE= -0.171210 logGD-logG0= -0.004872 tlogG= -0.023884 logG= -0.028756 Density= 0.106749 ETOT(band)= -0.117107 trlgG= -0.146869 logG= -0.028756 TDE= -0.170938 logGD-logG0= -0.004963 tlogG= -0.024082 logG= -0.029046 Density= 0.107373 ETOT(band)= -0.117025 trlgG= -0.147097 logG= -0.029046 TDE= -0.171184 logGD-logG0= -0.005002 tlogG= -0.022722 logG= -0.027725 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004833 tlogG= -0.022840 logG= -0.027673 logGD-logG0= -0.004800 tlogG= -0.023678 logG= -0.028478 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107372 ETOT(band)= -0.116715 trlgG= -0.146355 logG= -0.028478 TDE= -0.171010 logGD-logG0= -0.005080 tlogG= -0.022865 logG= -0.027946 Density= 0.107610 ETOT(band)= -0.116289 trlgG= -0.145299 logG= -0.027946 TDE= -0.170604 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107742 ETOT(band)= -0.116084 trlgG= -0.144887 logG= -0.027673 TDE= -0.170530 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108243 ETOT(band)= -0.115863 trlgG= -0.144959 logG= -0.027725 TDE= -0.170799 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.024058 logG= -0.028910 Density= 0.107049 ETOT(band)= -0.117087 trlgG= -0.147123 logG= -0.028910 TDE= -0.171187 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005281 tlogG= -0.023892 logG= -0.029173 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.023186 logG= -0.028458 Density= 0.107745 ETOT(band)= -0.116925 trlgG= -0.147259 logG= -0.029173 TDE= -0.171403 Density= 0.107677 ETOT(band)= -0.116536 trlgG= -0.146109 logG= -0.028458 TDE= -0.170935 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004711 tlogG= -0.022842 logG= -0.027552 Density= 0.107290 ETOT(band)= -0.116230 trlgG= -0.145014 logG= -0.027552 TDE= -0.170554 logGD-logG0= -0.009724 tlogG= -0.048223 logG= -0.057947 logGD-logG0= -0.005246 tlogG= -0.023858 logG= -0.029104 Density= 0.214389 ETOT(band)= -0.234132 trlgG= -0.294320 logG= -0.057947 TDE= -0.342464 logGD-logG0= -0.005235 tlogG= -0.024046 logG= -0.029281 Density= 0.107941 ETOT(band)= -0.116899 trlgG= -0.147449 logG= -0.029281 TDE= -0.171582 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107909 ETOT(band)= -0.116793 trlgG= -0.147153 logG= -0.029104 TDE= -0.171448 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.023568 logG= -0.028851 Density= 0.107794 ETOT(band)= -0.116697 trlgG= -0.146738 logG= -0.028851 TDE= -0.171228 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009046 tlogG= -0.047613 logG= -0.056659 Density= 0.212909 ETOT(band)= -0.234030 trlgG= -0.292819 logG= -0.056659 TDE= -0.341518 logGD-logG0= -0.009411 tlogG= -0.045740 logG= -0.055151 Density= 0.215005 ETOT(band)= -0.232292 trlgG= -0.289929 logG= -0.055151 TDE= -0.341174 logGD-logG0= -0.010445 tlogG= -0.047727 logG= -0.058172 Density= 0.214745 ETOT(band)= -0.234056 trlgG= -0.294154 logG= -0.058172 TDE= -0.342248 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047138 logG= -0.056729 logGD-logG0= -0.009691 tlogG= -0.045570 logG= -0.055261 Density= 0.214349 ETOT(band)= -0.232644 trlgG= -0.290108 logG= -0.055261 TDE= -0.340918 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009474 tlogG= -0.047914 logG= -0.057388 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213752 ETOT(band)= -0.233729 trlgG= -0.292746 logG= -0.056729 TDE= -0.341792 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213258 ETOT(band)= -0.234238 trlgG= -0.293462 logG= -0.057388 TDE= -0.341604 logGD-logG0= -0.009870 tlogG= -0.047879 logG= -0.057750 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010400 tlogG= -0.048062 logG= -0.058462 Density= 0.213955 ETOT(band)= -0.234172 trlgG= -0.294009 logG= -0.057750 TDE= -0.342135 Density= 0.215059 ETOT(band)= -0.234108 trlgG= -0.294665 logG= -0.058462 TDE= -0.342625 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010310 tlogG= -0.047767 logG= -0.058077 Density= 0.214644 ETOT(band)= -0.234050 trlgG= -0.293985 logG= -0.058077 TDE= -0.342125 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010481 tlogG= -0.047996 logG= -0.058477 Density= 0.215096 ETOT(band)= -0.234099 trlgG= -0.294692 logG= -0.058477 TDE= -0.342655 logGD-logG0= -0.009363 tlogG= -0.047427 logG= -0.056790 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214298 ETOT(band)= -0.233558 trlgG= -0.292876 logG= -0.056790 TDE= -0.342131 logGD-logG0= -0.010248 tlogG= -0.047960 logG= -0.058209 logGD-logG0= -0.009795 tlogG= -0.045630 logG= -0.055424 Density= 0.215138 ETOT(band)= -0.232367 trlgG= -0.289921 logG= -0.055424 TDE= -0.340957 logGD-logG0= -0.009993 tlogG= -0.048009 logG= -0.058002 Density= 0.214519 ETOT(band)= -0.234079 trlgG= -0.294069 logG= -0.058002 TDE= -0.342223 logGD-logG0= -0.001614 tlogG= -0.006988 logG= -0.008602 Density= 0.036194 ETOT(band)= -0.038124 trlgG= -0.047236 logG= -0.008602 TDE= -0.056544 Density= 0.215062 ETOT(band)= -0.233963 trlgG= -0.294248 logG= -0.058209 TDE= -0.342463 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010542 tlogG= -0.047505 logG= -0.058047 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047641 logG= -0.057750 Density= 0.213936 ETOT(band)= -0.234159 trlgG= -0.293762 logG= -0.057750 TDE= -0.341878 Density= 0.215689 ETOT(band)= -0.233554 trlgG= -0.294037 logG= -0.058047 TDE= -0.342724 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010334 tlogG= -0.047292 logG= -0.057626 Density= 0.214249 ETOT(band)= -0.233951 trlgG= -0.293237 logG= -0.057626 TDE= -0.341633 logGD-logG0= -0.010107 tlogG= -0.046393 logG= -0.056500 Density= 0.215204 ETOT(band)= -0.232929 trlgG= -0.291554 logG= -0.056500 TDE= -0.341547 logGD-logG0= -0.010503 tlogG= -0.047403 logG= -0.057906 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215457 ETOT(band)= -0.233595 trlgG= -0.293796 logG= -0.057906 TDE= -0.342509 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010594 tlogG= -0.048127 logG= -0.058720 Density= 0.215413 ETOT(band)= -0.234124 trlgG= -0.295128 logG= -0.058720 TDE= -0.343005 logGD-logG0= -0.010467 tlogG= -0.047918 logG= -0.058385 Density= 0.215885 ETOT(band)= -0.233670 trlgG= -0.294599 logG= -0.058385 TDE= -0.343045 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009747 tlogG= -0.047138 logG= -0.056885 Density= 0.213763 ETOT(band)= -0.233773 trlgG= -0.292538 logG= -0.056885 TDE= -0.341434 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.047204 logG= -0.056922 logGD-logG0= -0.010019 tlogG= -0.047133 logG= -0.057152 Density= 0.215140 ETOT(band)= -0.233330 trlgG= -0.292570 logG= -0.057152 TDE= -0.341881 logGD-logG0= -0.002387 tlogG= -0.010421 logG= -0.012808 Density= 0.054375 ETOT(band)= -0.057068 trlgG= -0.070676 logG= -0.012808 TDE= -0.084775 logGD-logG0= -0.010546 tlogG= -0.046860 logG= -0.057406 Density= 0.214464 ETOT(band)= -0.233518 trlgG= -0.292649 logG= -0.056922 TDE= -0.341855 Density= 0.215418 ETOT(band)= -0.233318 trlgG= -0.292996 logG= -0.057406 TDE= -0.342190 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010522 tlogG= -0.047866 logG= -0.058388 Density= 0.215757 ETOT(band)= -0.233742 trlgG= -0.294601 logG= -0.058388 TDE= -0.342980 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.021864 logG= -0.026823 Density= 0.108318 ETOT(band)= -0.115237 trlgG= -0.143467 logG= -0.026823 TDE= -0.170245 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002447 tlogG= -0.010836 logG= -0.013283 Density= 0.054060 ETOT(band)= -0.057586 trlgG= -0.071522 logG= -0.013283 TDE= -0.084991 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004792 tlogG= -0.020978 logG= -0.025770 Density= 0.108705 ETOT(band)= -0.114282 trlgG= -0.141630 logG= -0.025770 TDE= -0.169653 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.021808 logG= -0.026846 Density= 0.107782 ETOT(band)= -0.115527 trlgG= -0.143529 logG= -0.026846 TDE= -0.170019 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004979 tlogG= -0.021685 logG= -0.026663 Density= 0.107925 ETOT(band)= -0.115335 trlgG= -0.143219 logG= -0.026663 TDE= -0.169963 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009951 tlogG= -0.043370 logG= -0.053321 Density= 0.216266 ETOT(band)= -0.230457 trlgG= -0.286414 logG= -0.053321 TDE= -0.340112 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001421 tlogG= -0.007962 logG= -0.009383 Density= 0.070861 ETOT(band)= -0.077948 trlgG= -0.097432 logG= -0.009383 TDE= -0.056958 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004264 tlogG= -0.024122 logG= -0.028386 Density= 0.212154 ETOT(band)= -0.234371 trlgG= -0.293623 logG= -0.028386 TDE= -0.170964 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004397 tlogG= -0.023731 logG= -0.028128 Density= 0.213070 ETOT(band)= -0.233581 trlgG= -0.291699 logG= -0.028128 TDE= -0.170766 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004567 tlogG= -0.023881 logG= -0.028448 Density= 0.213266 ETOT(band)= -0.233855 trlgG= -0.292428 logG= -0.028448 TDE= -0.170770 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.022896 logG= -0.027827 Density= 0.214784 ETOT(band)= -0.232391 trlgG= -0.289623 logG= -0.027827 TDE= -0.170418 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001560 tlogG= -0.007585 logG= -0.009145 Density= 0.071492 ETOT(band)= -0.077345 trlgG= -0.096133 logG= -0.009145 TDE= -0.056733 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.021868 logG= -0.026915 Density= 0.216616 ETOT(band)= -0.230274 trlgG= -0.286418 logG= -0.026915 TDE= -0.170214 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004913 tlogG= -0.022282 logG= -0.027195 Density= 0.214246 ETOT(band)= -0.232434 trlgG= -0.289377 logG= -0.027195 TDE= -0.170154 logGD-logG0= -0.001178 tlogG= -0.005168 logG= -0.006347 Density= 0.062536 ETOT(band)= -0.067543 trlgG= -0.084189 logG= -0.006347 TDE= -0.042356 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004453 tlogG= -0.023577 logG= -0.028030 Density= 0.212602 ETOT(band)= -0.233989 trlgG= -0.292675 logG= -0.028030 TDE= -0.170681 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001570 tlogG= -0.006870 logG= -0.008441 Density= 0.040846 ETOT(band)= -0.042671 trlgG= -0.052785 logG= -0.008441 TDE= -0.056459 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001197 tlogG= -0.005304 logG= -0.006501 Density= 0.081555 ETOT(band)= -0.085682 trlgG= -0.106185 logG= -0.006501 TDE= -0.042458 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001682 tlogG= -0.007113 logG= -0.008795 Density= 0.072226 ETOT(band)= -0.076476 trlgG= -0.094819 logG= -0.008795 TDE= -0.056619 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004880 tlogG= -0.022464 logG= -0.027345 Density= 0.215009 ETOT(band)= -0.231655 trlgG= -0.287979 logG= -0.027345 TDE= -0.170167 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001250 tlogG= -0.005745 logG= -0.006995 Density= 0.080632 ETOT(band)= -0.087393 trlgG= -0.109586 logG= -0.006995 TDE= -0.042743 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001264 tlogG= -0.005853 logG= -0.007117 Density= 0.080644 ETOT(band)= -0.087608 trlgG= -0.110140 logG= -0.007117 TDE= -0.042809 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005936 logG= -0.007205 Density= 0.080827 ETOT(band)= -0.087642 trlgG= -0.110337 logG= -0.007205 TDE= -0.042863 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.021340 logG= -0.026296 Density= 0.217010 ETOT(band)= -0.229166 trlgG= -0.284214 logG= -0.026296 TDE= -0.169882 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001229 tlogG= -0.005617 logG= -0.006846 Density= 0.080833 ETOT(band)= -0.086964 trlgG= -0.108583 logG= -0.006846 TDE= -0.042667 logGD-logG0= -0.001268 tlogG= -0.005981 logG= -0.007248 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081056 ETOT(band)= -0.087545 trlgG= -0.110390 logG= -0.007248 TDE= -0.042893 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023989 logG= -0.029180 Density= 0.215675 ETOT(band)= -0.233843 trlgG= -0.294755 logG= -0.029180 TDE= -0.171564 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023988 logG= -0.029142 Density= 0.216344 ETOT(band)= -0.233324 trlgG= -0.294279 logG= -0.029142 TDE= -0.171582 logGD-logG0= -0.004915 tlogG= -0.021195 logG= -0.026110 Density= 0.216334 ETOT(band)= -0.230028 trlgG= -0.285471 logG= -0.026110 TDE= -0.169788 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005284 tlogG= -0.024110 logG= -0.029394 Density= 0.215708 ETOT(band)= -0.233998 trlgG= -0.295170 logG= -0.029394 TDE= -0.171596 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.023787 logG= -0.029012 Density= 0.215323 ETOT(band)= -0.233750 trlgG= -0.294101 logG= -0.029012 TDE= -0.171411 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023473 logG= -0.028689 Density= 0.215203 ETOT(band)= -0.233315 trlgG= -0.292838 logG= -0.028689 TDE= -0.171155 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004737 tlogG= -0.023995 logG= -0.028732 Density= 0.321547 ETOT(band)= -0.351092 trlgG= -0.441237 logG= -0.028732 TDE= -0.171212 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.023835 logG= -0.028874 Density= 0.215485 ETOT(band)= -0.233745 trlgG= -0.294204 logG= -0.028874 TDE= -0.171099 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.024074 logG= -0.029287 Density= 0.323046 ETOT(band)= -0.351173 trlgG= -0.442563 logG= -0.029287 TDE= -0.171410 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.022429 logG= -0.027513 Density= 0.216360 ETOT(band)= -0.231272 trlgG= -0.288535 logG= -0.027513 TDE= -0.170554 logGD-logG0= -0.005008 tlogG= -0.024152 logG= -0.029160 Density= 0.322423 ETOT(band)= -0.351202 trlgG= -0.441914 logG= -0.029160 TDE= -0.171218 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023945 logG= -0.029092 Density= 0.216378 ETOT(band)= -0.233220 trlgG= -0.294046 logG= -0.029092 TDE= -0.171555 logGD-logG0= -0.005043 tlogG= -0.023946 logG= -0.028989 Density= 0.214327 ETOT(band)= -0.234084 trlgG= -0.293844 logG= -0.028989 TDE= -0.171050 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023357 logG= -0.028006 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321617 ETOT(band)= -0.350045 trlgG= -0.438661 logG= -0.028006 TDE= -0.170887 logGD-logG0= -0.004880 tlogG= -0.023874 logG= -0.028754 Density= 0.213774 ETOT(band)= -0.234001 trlgG= -0.292937 logG= -0.028754 TDE= -0.170779 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004541 tlogG= -0.023963 logG= -0.028504 Density= 0.212792 ETOT(band)= -0.234266 trlgG= -0.293422 logG= -0.028504 TDE= -0.170818 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010105 tlogG= -0.045610 logG= -0.055716 Density= 0.324029 ETOT(band)= -0.347926 trlgG= -0.434865 logG= -0.055716 TDE= -0.341430 logGD-logG0= -0.005174 tlogG= -0.023403 logG= -0.028577 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216188 ETOT(band)= -0.232643 trlgG= -0.292135 logG= -0.028577 TDE= -0.171175 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023750 logG= -0.028917 Density= 0.216268 ETOT(band)= -0.233022 trlgG= -0.293342 logG= -0.028917 TDE= -0.171414 logGD-logG0= -0.010338 tlogG= -0.047762 logG= -0.058101 Density= 0.324334 ETOT(band)= -0.349891 trlgG= -0.440916 logG= -0.058101 TDE= -0.343003 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010384 tlogG= -0.047212 logG= -0.057596 Density= 0.324116 ETOT(band)= -0.349525 trlgG= -0.439569 logG= -0.057596 TDE= -0.342611 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023234 logG= -0.027982 logGD-logG0= -0.004983 tlogG= -0.024146 logG= -0.029129 logGD-logG0= -0.004994 tlogG= -0.023235 logG= -0.028228 logGD-logG0= -0.005146 tlogG= -0.022956 logG= -0.028103 Density= 0.321684 ETOT(band)= -0.350551 trlgG= -0.439512 logG= -0.028228 TDE= -0.170841 Density= 0.213484 ETOT(band)= -0.233608 trlgG= -0.292158 logG= -0.027982 TDE= -0.170731 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214729 ETOT(band)= -0.234155 trlgG= -0.294459 logG= -0.029129 TDE= -0.171223 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216215 ETOT(band)= -0.232069 trlgG= -0.290520 logG= -0.028103 TDE= -0.170888 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.023826 logG= -0.028625 Density= 0.213559 ETOT(band)= -0.234140 trlgG= -0.293674 logG= -0.028625 TDE= -0.171035 logGD-logG0= -0.004704 tlogG= -0.023996 logG= -0.028701 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214108 ETOT(band)= -0.234076 trlgG= -0.294062 logG= -0.028701 TDE= -0.171217 logGD-logG0= -0.004617 tlogG= -0.023360 logG= -0.027977 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214170 ETOT(band)= -0.233364 trlgG= -0.292270 logG= -0.027977 TDE= -0.170895 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023886 logG= -0.029218 Density= 0.215634 ETOT(band)= -0.233745 trlgG= -0.294483 logG= -0.029218 TDE= -0.171420 logGD-logG0= -0.010382 tlogG= -0.046391 logG= -0.056773 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010620 tlogG= -0.048019 logG= -0.058639 Density= 0.323981 ETOT(band)= -0.348869 trlgG= -0.437484 logG= -0.056773 TDE= -0.342054 Density= 0.323231 ETOT(band)= -0.350964 trlgG= -0.442260 logG= -0.058639 TDE= -0.342995 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023345 logG= -0.028744 logGD-logG0= -0.009612 tlogG= -0.046585 logG= -0.056197 Density= 0.215095 ETOT(band)= -0.233342 trlgG= -0.292646 logG= -0.028744 TDE= -0.170949 Density= 0.322688 ETOT(band)= -0.348997 trlgG= -0.436301 logG= -0.056197 TDE= -0.341583 logGD-logG0= -0.005133 tlogG= -0.023186 logG= -0.028319 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005317 tlogG= -0.023945 logG= -0.029262 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323644 ETOT(band)= -0.350637 trlgG= -0.442005 logG= -0.029262 TDE= -0.171468 logGD-logG0= -0.005380 tlogG= -0.023672 logG= -0.029052 Density= 0.215396 ETOT(band)= -0.233598 trlgG= -0.293785 logG= -0.029052 TDE= -0.171242 Density= 0.214856 ETOT(band)= -0.232944 trlgG= -0.291152 logG= -0.028319 TDE= -0.170605 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010073 tlogG= -0.048128 logG= -0.058200 Density= 0.429276 ETOT(band)= -0.468245 trlgG= -0.588479 logG= -0.058200 TDE= -0.342285 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008885 tlogG= -0.048077 logG= -0.056963 Density= 0.425502 ETOT(band)= -0.468331 trlgG= -0.586332 logG= -0.056963 TDE= -0.341752 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009570 tlogG= -0.047818 logG= -0.057388 Density= 0.428011 ETOT(band)= -0.468137 trlgG= -0.587711 logG= -0.057388 TDE= -0.342239 logGD-logG0= -0.009375 tlogG= -0.046695 logG= -0.056070 Density= 0.427863 ETOT(band)= -0.466115 trlgG= -0.581713 logG= -0.056070 TDE= -0.341192 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010182 tlogG= -0.047649 logG= -0.057831 Density= 0.428264 ETOT(band)= -0.468119 trlgG= -0.587042 logG= -0.057831 TDE= -0.341880 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010205 tlogG= -0.048201 logG= -0.058407 Density= 0.430014 ETOT(band)= -0.468247 trlgG= -0.589245 logG= -0.058407 TDE= -0.342499 logGD-logG0= -0.010691 tlogG= -0.047669 logG= -0.058359 logGD-logG0= -0.009575 tlogG= -0.047633 logG= -0.057208 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431069 ETOT(band)= -0.467441 trlgG= -0.588563 logG= -0.058359 TDE= -0.342748 Density= 0.426642 ETOT(band)= -0.468354 trlgG= -0.586846 logG= -0.057208 TDE= -0.341770 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010241 tlogG= -0.047936 logG= -0.058177 Density= 0.429179 ETOT(band)= -0.468207 trlgG= -0.588124 logG= -0.058177 TDE= -0.342125 logGD-logG0= -0.009433 tlogG= -0.046586 logG= -0.056019 logGD-logG0= -0.010583 tlogG= -0.047710 logG= -0.058293 Density= 0.428069 ETOT(band)= -0.466835 trlgG= -0.584319 logG= -0.056019 TDE= -0.341608 logGD-logG0= -0.009745 tlogG= -0.047833 logG= -0.057578 Density= 0.429111 ETOT(band)= -0.467909 trlgG= -0.587683 logG= -0.057578 TDE= -0.342226 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430728 ETOT(band)= -0.467499 trlgG= -0.588204 logG= -0.058293 TDE= -0.342641 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010245 tlogG= -0.046911 logG= -0.057155 Density= 0.429855 ETOT(band)= -0.466452 trlgG= -0.584082 logG= -0.057155 TDE= -0.341593 logGD-logG0= -0.004874 tlogG= -0.021290 logG= -0.026164 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162641 ETOT(band)= -0.172976 trlgG= -0.215866 logG= -0.026164 TDE= -0.169869 logGD-logG0= -0.010415 tlogG= -0.048051 logG= -0.058466 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430120 ETOT(band)= -0.468077 trlgG= -0.588917 logG= -0.058466 TDE= -0.342625 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009861 tlogG= -0.046380 logG= -0.056241 Density= 0.429506 ETOT(band)= -0.465539 trlgG= -0.581386 logG= -0.056241 TDE= -0.341304 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009926 tlogG= -0.047538 logG= -0.057465 Density= 0.428582 ETOT(band)= -0.467464 trlgG= -0.586082 logG= -0.057465 TDE= -0.341924 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.047550 logG= -0.057719 Density= 0.429986 ETOT(band)= -0.467098 trlgG= -0.586010 logG= -0.057719 TDE= -0.342038 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010643 tlogG= -0.047249 logG= -0.057891 Density= 0.430457 ETOT(band)= -0.467076 trlgG= -0.586733 logG= -0.057891 TDE= -0.342258 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.047994 logG= -0.058609 Density= 0.431310 ETOT(band)= -0.467723 trlgG= -0.589556 logG= -0.058609 TDE= -0.343013 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009897 tlogG= -0.044602 logG= -0.054500 Density= 0.324271 ETOT(band)= -0.346657 trlgG= -0.431855 logG= -0.054500 TDE= -0.340753 logGD-logG0= -0.004800 tlogG= -0.022317 logG= -0.027117 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322855 ETOT(band)= -0.347967 trlgG= -0.433912 logG= -0.027117 TDE= -0.170235 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009529 tlogG= -0.047752 logG= -0.057281 Density= 0.427147 ETOT(band)= -0.467903 trlgG= -0.585698 logG= -0.057281 TDE= -0.341472 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004760 tlogG= -0.022317 logG= -0.027076 Density= 0.215016 ETOT(band)= -0.231944 trlgG= -0.289023 logG= -0.027076 TDE= -0.170241 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001216 tlogG= -0.005465 logG= -0.006681 Density= 0.081196 ETOT(band)= -0.086350 trlgG= -0.107345 logG= -0.006681 TDE= -0.042569 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009746 tlogG= -0.044605 logG= -0.054351 Density= 0.431584 ETOT(band)= -0.462063 trlgG= -0.574604 logG= -0.054351 TDE= -0.340389 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.805044010466 eV TrLogG= -407.167141597433 eV Ratio to renormalize= 1.000087623186 rho-rho_expected=-0.001927541205 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964625902197573 0.940349279757564 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001482 tlogG= -0.007812 logG= -0.009294 Density= 0.035486 ETOT(band)= -0.038925 trlgG= -0.048608 logG= -0.009294 TDE= -0.056874 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008045 logG= -0.009446 Density= 0.035307 ETOT(band)= -0.039076 trlgG= -0.048972 logG= -0.009446 TDE= -0.056998 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023207 logG= -0.027818 Density= 0.106716 ETOT(band)= -0.116622 trlgG= -0.145470 logG= -0.027818 TDE= -0.170461 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022410 logG= -0.027411 Density= 0.107612 ETOT(band)= -0.115964 trlgG= -0.144446 logG= -0.027411 TDE= -0.170288 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010427 logG= -0.012823 Density= 0.054365 ETOT(band)= -0.057073 trlgG= -0.070698 logG= -0.012823 TDE= -0.084777 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002320 tlogG= -0.011884 logG= -0.014204 Density= 0.053551 ETOT(band)= -0.058401 trlgG= -0.073266 logG= -0.014204 TDE= -0.085562 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021566 logG= -0.026456 Density= 0.108489 ETOT(band)= -0.114880 trlgG= -0.142831 logG= -0.026456 TDE= -0.170061 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002597 tlogG= -0.012033 logG= -0.014630 Density= 0.053752 ETOT(band)= -0.058534 trlgG= -0.073686 logG= -0.014630 TDE= -0.085655 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001048 TDE= -0.007052 logGD-logG0= -0.005057 tlogG= -0.021820 logG= -0.026876 Density= 0.107765 ETOT(band)= -0.115536 trlgG= -0.143572 logG= -0.026876 TDE= -0.170023 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002415 tlogG= -0.012083 logG= -0.014498 Density= 0.053574 ETOT(band)= -0.058545 trlgG= -0.073628 logG= -0.014498 TDE= -0.085642 logGD-logG0= -0.004534 tlogG= -0.024047 logG= -0.028581 logGD-logG0= -0.004941 tlogG= -0.022171 logG= -0.027113 Density= 0.108335 ETOT(band)= -0.115430 trlgG= -0.143960 logG= -0.027113 TDE= -0.170456 logGD-logG0= -0.002327 tlogG= -0.011449 logG= -0.013775 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106370 ETOT(band)= -0.117153 trlgG= -0.146799 logG= -0.028581 TDE= -0.170855 Density= 0.053726 ETOT(band)= -0.058070 trlgG= -0.072502 logG= -0.013775 TDE= -0.085313 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004997 tlogG= -0.021696 logG= -0.026694 Density= 0.107908 ETOT(band)= -0.115343 trlgG= -0.143263 logG= -0.026694 TDE= -0.169967 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004698 tlogG= -0.023688 logG= -0.028386 Density= 0.106956 ETOT(band)= -0.116842 trlgG= -0.146488 logG= -0.028386 TDE= -0.171030 logGD-logG0= -0.004892 tlogG= -0.023895 logG= -0.028787 Density= 0.106737 ETOT(band)= -0.117114 trlgG= -0.146910 logG= -0.028787 TDE= -0.170942 logGD-logG0= -0.005020 tlogG= -0.022735 logG= -0.027755 Density= 0.108224 ETOT(band)= -0.115873 trlgG= -0.145004 logG= -0.027755 TDE= -0.170803 logGD-logG0= -0.004668 tlogG= -0.023670 logG= -0.028339 Density= 0.106579 ETOT(band)= -0.116959 trlgG= -0.146383 logG= -0.028339 TDE= -0.170785 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002553 tlogG= -0.011985 logG= -0.014538 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.024053 logG= -0.028363 Density= 0.106100 ETOT(band)= -0.117165 trlgG= -0.146789 logG= -0.028363 TDE= -0.170930 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054125 ETOT(band)= -0.058296 trlgG= -0.073550 logG= -0.014538 TDE= -0.085796 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023765 logG= -0.028904 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108153 ETOT(band)= -0.116541 trlgG= -0.146826 logG= -0.028904 TDE= -0.171441 logGD-logG0= -0.005268 tlogG= -0.024073 logG= -0.029341 logGD-logG0= -0.005135 tlogG= -0.023432 logG= -0.028566 Density= 0.107620 ETOT(band)= -0.117068 trlgG= -0.147518 logG= -0.029341 TDE= -0.171433 Density= 0.108106 ETOT(band)= -0.116379 trlgG= -0.146289 logG= -0.028566 TDE= -0.171220 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.022984 logG= -0.028076 Density= 0.108111 ETOT(band)= -0.116109 trlgG= -0.145515 logG= -0.028076 TDE= -0.170937 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023951 logG= -0.029078 Density= 0.108204 ETOT(band)= -0.116616 trlgG= -0.147104 logG= -0.029078 TDE= -0.171571 logGD-logG0= -0.004337 tlogG= -0.023976 logG= -0.028313 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106152 ETOT(band)= -0.117121 trlgG= -0.146676 logG= -0.028313 TDE= -0.170892 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022459 logG= -0.027483 Density= 0.108179 ETOT(band)= -0.115736 trlgG= -0.144567 logG= -0.027483 TDE= -0.170617 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002622 tlogG= -0.011988 logG= -0.014611 Density= 0.053971 ETOT(band)= -0.058417 trlgG= -0.073670 logG= -0.014611 TDE= -0.085767 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005114 tlogG= -0.023873 logG= -0.028986 Density= 0.108224 ETOT(band)= -0.116552 trlgG= -0.146955 logG= -0.028986 TDE= -0.171524 logGD-logG0= -0.005301 tlogG= -0.023904 logG= -0.029204 Density= 0.107729 ETOT(band)= -0.116935 trlgG= -0.147303 logG= -0.029204 TDE= -0.171408 logGD-logG0= -0.005276 tlogG= -0.023685 logG= -0.028961 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107210 ETOT(band)= -0.117002 trlgG= -0.146849 logG= -0.028961 TDE= -0.170940 logGD-logG0= -0.005116 tlogG= -0.023607 logG= -0.028723 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.116426 trlgG= -0.146534 logG= -0.028723 TDE= -0.171344 logGD-logG0= -0.005219 tlogG= -0.023968 logG= -0.029187 Density= 0.107422 ETOT(band)= -0.117055 trlgG= -0.147244 logG= -0.029187 TDE= -0.171215 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023217 logG= -0.028303 Density= 0.108170 ETOT(band)= -0.116203 trlgG= -0.145871 logG= -0.028303 TDE= -0.171096 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023645 logG= -0.028632 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106958 ETOT(band)= -0.116931 trlgG= -0.146298 logG= -0.028632 TDE= -0.170594 logGD-logG0= -0.005278 tlogG= -0.024088 logG= -0.029366 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107864 ETOT(band)= -0.116976 trlgG= -0.147582 logG= -0.029366 TDE= -0.171592 logGD-logG0= -0.004698 tlogG= -0.022991 logG= -0.027689 Density= 0.106852 ETOT(band)= -0.116491 trlgG= -0.145208 logG= -0.027689 TDE= -0.170395 logGD-logG0= -0.004819 tlogG= -0.023690 logG= -0.028509 Density= 0.107357 ETOT(band)= -0.116723 trlgG= -0.146398 logG= -0.028509 TDE= -0.171015 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.022877 logG= -0.027977 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023502 logG= -0.028225 Density= 0.106754 ETOT(band)= -0.116813 trlgG= -0.145954 logG= -0.028225 TDE= -0.170556 Density= 0.107594 ETOT(band)= -0.116297 trlgG= -0.145343 logG= -0.027977 TDE= -0.170609 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.024094 logG= -0.029077 Density= 0.107358 ETOT(band)= -0.117033 trlgG= -0.147140 logG= -0.029077 TDE= -0.171189 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022851 logG= -0.027703 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107725 ETOT(band)= -0.116092 trlgG= -0.144931 logG= -0.027703 TDE= -0.170535 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.024134 logG= -0.029445 Density= 0.107788 ETOT(band)= -0.117064 trlgG= -0.147707 logG= -0.029445 TDE= -0.171601 logGD-logG0= -0.004729 tlogG= -0.022854 logG= -0.027583 Density= 0.107276 ETOT(band)= -0.116237 trlgG= -0.145056 logG= -0.027583 TDE= -0.170559 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.024070 logG= -0.028941 Density= 0.107036 ETOT(band)= -0.117095 trlgG= -0.147165 logG= -0.028941 TDE= -0.171191 logGD-logG0= -0.005291 tlogG= -0.023198 logG= -0.028489 Density= 0.107660 ETOT(band)= -0.116545 trlgG= -0.146152 logG= -0.028489 TDE= -0.170939 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.023871 logG= -0.029135 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107892 ETOT(band)= -0.116803 trlgG= -0.147197 logG= -0.029135 TDE= -0.171452 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002457 tlogG= -0.010842 logG= -0.013298 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054051 ETOT(band)= -0.057590 trlgG= -0.071544 logG= -0.013298 TDE= -0.084993 logGD-logG0= -0.005301 tlogG= -0.023581 logG= -0.028882 Density= 0.107777 ETOT(band)= -0.116707 trlgG= -0.146782 logG= -0.028882 TDE= -0.171233 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009629 tlogG= -0.047163 logG= -0.056791 logGD-logG0= -0.009448 tlogG= -0.045764 logG= -0.055212 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214975 ETOT(band)= -0.232308 trlgG= -0.290014 logG= -0.055212 TDE= -0.341183 Density= 0.213728 ETOT(band)= -0.233742 trlgG= -0.292829 logG= -0.056791 TDE= -0.341801 logGD-logG0= -0.009763 tlogG= -0.048247 logG= -0.058010 Density= 0.214361 ETOT(band)= -0.234148 trlgG= -0.294405 logG= -0.058010 TDE= -0.342472 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.024060 logG= -0.029312 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009086 tlogG= -0.047635 logG= -0.056721 Density= 0.107923 ETOT(band)= -0.116909 trlgG= -0.147493 logG= -0.029312 TDE= -0.171587 logGD-logG0= -0.009515 tlogG= -0.047935 logG= -0.057450 Density= 0.213235 ETOT(band)= -0.234251 trlgG= -0.293544 logG= -0.057450 TDE= -0.341613 Density= 0.212889 ETOT(band)= -0.234042 trlgG= -0.292900 logG= -0.056721 TDE= -0.341526 logGD-logG0= -0.009728 tlogG= -0.045594 logG= -0.055322 Density= 0.214322 ETOT(band)= -0.232658 trlgG= -0.290192 logG= -0.055322 TDE= -0.340927 logGD-logG0= -0.010439 tlogG= -0.048085 logG= -0.058524 logGD-logG0= -0.009909 tlogG= -0.047904 logG= -0.057812 Density= 0.213929 ETOT(band)= -0.234187 trlgG= -0.294093 logG= -0.057812 TDE= -0.342144 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215028 ETOT(band)= -0.234126 trlgG= -0.294752 logG= -0.058524 TDE= -0.342634 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009788 tlogG= -0.047159 logG= -0.056948 Density= 0.213738 ETOT(band)= -0.233787 trlgG= -0.292621 logG= -0.056948 TDE= -0.341442 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047751 logG= -0.058235 Density= 0.214715 ETOT(band)= -0.234072 trlgG= -0.294241 logG= -0.058235 TDE= -0.342258 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009401 tlogG= -0.047451 logG= -0.056852 Density= 0.214271 ETOT(band)= -0.233572 trlgG= -0.292960 logG= -0.056852 TDE= -0.342140 logGD-logG0= -0.010520 tlogG= -0.048019 logG= -0.058539 Density= 0.215064 ETOT(band)= -0.234117 trlgG= -0.294779 logG= -0.058539 TDE= -0.342664 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010032 tlogG= -0.048033 logG= -0.058064 Density= 0.214490 ETOT(band)= -0.234095 trlgG= -0.294155 logG= -0.058064 TDE= -0.342231 logGD-logG0= -0.010287 tlogG= -0.047984 logG= -0.058271 Density= 0.215031 ETOT(band)= -0.233981 trlgG= -0.294335 logG= -0.058271 TDE= -0.342472 logGD-logG0= -0.010348 tlogG= -0.047791 logG= -0.058139 logGD-logG0= -0.009832 tlogG= -0.045653 logG= -0.055486 Density= 0.215106 ETOT(band)= -0.232383 trlgG= -0.290007 logG= -0.055486 TDE= -0.340966 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214614 ETOT(band)= -0.234066 trlgG= -0.294072 logG= -0.058139 TDE= -0.342134 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010148 tlogG= -0.047664 logG= -0.057813 Density= 0.213910 ETOT(band)= -0.234174 trlgG= -0.293846 logG= -0.057813 TDE= -0.341887 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010578 tlogG= -0.047532 logG= -0.058109 Density= 0.215655 ETOT(band)= -0.233573 trlgG= -0.294125 logG= -0.058109 TDE= -0.342733 logGD-logG0= -0.010375 tlogG= -0.047314 logG= -0.057688 Density= 0.214221 ETOT(band)= -0.233967 trlgG= -0.293323 logG= -0.057688 TDE= -0.341642 logGD-logG0= -0.001686 tlogG= -0.007305 logG= -0.008991 logGD-logG0= -0.010503 tlogG= -0.047944 logG= -0.058447 logGD-logG0= -0.001620 tlogG= -0.006992 logG= -0.008612 Density= 0.036187 ETOT(band)= -0.038127 trlgG= -0.047250 logG= -0.008612 TDE= -0.056546 Density= 0.215850 ETOT(band)= -0.233689 trlgG= -0.294688 logG= -0.058447 TDE= -0.343054 logGD-logG0= -0.010633 tlogG= -0.048150 logG= -0.058783 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215380 ETOT(band)= -0.234142 trlgG= -0.295216 logG= -0.058783 TDE= -0.343014 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.035836 ETOT(band)= -0.038576 trlgG= -0.047911 logG= -0.008991 TDE= -0.056653 logGD-logG0= -0.010542 tlogG= -0.047426 logG= -0.057968 Density= 0.215423 ETOT(band)= -0.233613 trlgG= -0.293884 logG= -0.057968 TDE= -0.342518 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010558 tlogG= -0.047893 logG= -0.058451 Density= 0.215722 ETOT(band)= -0.233761 trlgG= -0.294689 logG= -0.058451 TDE= -0.342989 logGD-logG0= -0.010584 tlogG= -0.046884 logG= -0.057468 Density= 0.215385 ETOT(band)= -0.233336 trlgG= -0.293084 logG= -0.057468 TDE= -0.342199 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010145 tlogG= -0.046417 logG= -0.056562 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009756 tlogG= -0.047228 logG= -0.056984 Density= 0.215172 ETOT(band)= -0.232946 trlgG= -0.291640 logG= -0.056562 TDE= -0.341556 Density= 0.214436 ETOT(band)= -0.233534 trlgG= -0.292734 logG= -0.056984 TDE= -0.341863 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.047156 logG= -0.057214 Density= 0.215108 ETOT(band)= -0.233347 trlgG= -0.292657 logG= -0.057214 TDE= -0.341890 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.021877 logG= -0.026853 Density= 0.108299 ETOT(band)= -0.115246 trlgG= -0.143511 logG= -0.026853 TDE= -0.170249 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004809 tlogG= -0.020991 logG= -0.025800 Density= 0.108684 ETOT(band)= -0.114292 trlgG= -0.141675 logG= -0.025800 TDE= -0.169657 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009989 tlogG= -0.043393 logG= -0.053382 Density= 0.216229 ETOT(band)= -0.230475 trlgG= -0.286501 logG= -0.053382 TDE= -0.340121 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004417 tlogG= -0.023741 logG= -0.028159 Density= 0.213049 ETOT(band)= -0.233592 trlgG= -0.291780 logG= -0.028159 TDE= -0.170770 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001428 tlogG= -0.007966 logG= -0.009394 Density= 0.070855 ETOT(band)= -0.077952 trlgG= -0.097458 logG= -0.009394 TDE= -0.056959 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022907 logG= -0.027858 Density= 0.214754 ETOT(band)= -0.232406 trlgG= -0.289708 logG= -0.027858 TDE= -0.170423 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001183 tlogG= -0.005172 logG= -0.006354 Density= 0.062528 ETOT(band)= -0.067546 trlgG= -0.084213 logG= -0.006354 TDE= -0.042357 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081539 ETOT(band)= -0.085689 trlgG= -0.106219 logG= -0.006509 TDE= -0.042459 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004900 tlogG= -0.022475 logG= -0.027376 Density= 0.214979 ETOT(band)= -0.231671 trlgG= -0.288064 logG= -0.027376 TDE= -0.170171 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005748 logG= -0.007002 Density= 0.080620 ETOT(band)= -0.087399 trlgG= -0.109618 logG= -0.007002 TDE= -0.042744 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.021881 logG= -0.026945 logGD-logG0= -0.001273 tlogG= -0.005939 logG= -0.007213 Density= 0.080815 ETOT(band)= -0.087649 trlgG= -0.110370 logG= -0.007213 TDE= -0.042864 Density= 0.216578 ETOT(band)= -0.230293 trlgG= -0.286506 logG= -0.026945 TDE= -0.170218 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004933 tlogG= -0.021208 logG= -0.026140 Density= 0.216298 ETOT(band)= -0.230046 trlgG= -0.285559 logG= -0.026140 TDE= -0.169793 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001233 tlogG= -0.005620 logG= -0.006853 Density= 0.080821 ETOT(band)= -0.086970 trlgG= -0.108615 logG= -0.006853 TDE= -0.042668 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005856 logG= -0.007125 Density= 0.080632 ETOT(band)= -0.087614 trlgG= -0.110173 logG= -0.007125 TDE= -0.042810 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.024002 logG= -0.029211 Density= 0.215641 ETOT(band)= -0.233861 trlgG= -0.294843 logG= -0.029211 TDE= -0.171569 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005984 logG= -0.007256 Density= 0.081043 ETOT(band)= -0.087552 trlgG= -0.110424 logG= -0.007256 TDE= -0.042894 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022441 logG= -0.027543 Density= 0.216323 ETOT(band)= -0.231290 trlgG= -0.288623 logG= -0.027543 TDE= -0.170558 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.023801 logG= -0.029043 Density= 0.215290 ETOT(band)= -0.233767 trlgG= -0.294188 logG= -0.029043 TDE= -0.171416 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023974 logG= -0.028536 Density= 0.212772 ETOT(band)= -0.234277 trlgG= -0.293503 logG= -0.028536 TDE= -0.170822 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024133 logG= -0.028417 logGD-logG0= -0.005235 tlogG= -0.023484 logG= -0.028720 Density= 0.215172 ETOT(band)= -0.233332 trlgG= -0.292925 logG= -0.028720 TDE= -0.171159 Density= 0.212138 ETOT(band)= -0.234380 trlgG= -0.293702 logG= -0.028417 TDE= -0.170968 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004756 tlogG= -0.024007 logG= -0.028763 Density= 0.321505 ETOT(band)= -0.351115 trlgG= -0.441365 logG= -0.028763 TDE= -0.171216 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.024001 logG= -0.029173 Density= 0.216307 ETOT(band)= -0.233344 trlgG= -0.294368 logG= -0.029173 TDE= -0.171586 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024164 logG= -0.029191 Density= 0.322377 ETOT(band)= -0.351228 trlgG= -0.442044 logG= -0.029191 TDE= -0.171222 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.022969 logG= -0.028133 Density= 0.216179 ETOT(band)= -0.232088 trlgG= -0.290608 logG= -0.028133 TDE= -0.170892 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004667 tlogG= -0.023369 logG= -0.028036 Density= 0.321575 ETOT(band)= -0.350067 trlgG= -0.438788 logG= -0.028036 TDE= -0.170891 logGD-logG0= -0.010374 tlogG= -0.047789 logG= -0.058163 Density= 0.324279 ETOT(band)= -0.349920 trlgG= -0.441050 logG= -0.058163 TDE= -0.343012 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023838 logG= -0.028656 Density= 0.213535 ETOT(band)= -0.234153 trlgG= -0.293757 logG= -0.028656 TDE= -0.171039 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023958 logG= -0.029020 Density= 0.214299 ETOT(band)= -0.234100 trlgG= -0.293930 logG= -0.029020 TDE= -0.171054 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023958 logG= -0.029123 Density= 0.216341 ETOT(band)= -0.233239 trlgG= -0.294136 logG= -0.029123 TDE= -0.171559 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023847 logG= -0.028905 logGD-logG0= -0.005302 tlogG= -0.024123 logG= -0.029425 Density= 0.215451 ETOT(band)= -0.233763 trlgG= -0.294292 logG= -0.028905 TDE= -0.171104 Density= 0.215674 ETOT(band)= -0.234017 trlgG= -0.295258 logG= -0.029425 TDE= -0.171601 logGD-logG0= -0.004473 tlogG= -0.023588 logG= -0.028061 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212583 ETOT(band)= -0.233999 trlgG= -0.292755 logG= -0.028061 TDE= -0.170686 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004636 tlogG= -0.023372 logG= -0.028008 logGD-logG0= -0.005002 tlogG= -0.024158 logG= -0.029160 Density= 0.214144 ETOT(band)= -0.233378 trlgG= -0.292353 logG= -0.028008 TDE= -0.170899 Density= 0.214699 ETOT(band)= -0.234172 trlgG= -0.294545 logG= -0.029160 TDE= -0.171227 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023416 logG= -0.028608 logGD-logG0= -0.005232 tlogG= -0.024086 logG= -0.029318 logGD-logG0= -0.010658 tlogG= -0.048043 logG= -0.058701 Density= 0.322996 ETOT(band)= -0.351200 trlgG= -0.442695 logG= -0.029318 TDE= -0.171414 Density= 0.323181 ETOT(band)= -0.350992 trlgG= -0.442392 logG= -0.058701 TDE= -0.343004 Density= 0.216151 ETOT(band)= -0.232662 trlgG= -0.292224 logG= -0.028608 TDE= -0.171179 logGD-logG0= -0.010420 tlogG= -0.047238 logG= -0.057658 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324063 ETOT(band)= -0.349553 trlgG= -0.439702 logG= -0.057658 TDE= -0.342620 logGD-logG0= -0.004900 tlogG= -0.023885 logG= -0.028785 Density= 0.213749 ETOT(band)= -0.234015 trlgG= -0.293021 logG= -0.028785 TDE= -0.170784 logGD-logG0= -0.005185 tlogG= -0.023763 logG= -0.028948 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023246 logG= -0.028259 logGD-logG0= -0.004587 tlogG= -0.023892 logG= -0.028479 Density= 0.213244 ETOT(band)= -0.233867 trlgG= -0.292510 logG= -0.028479 TDE= -0.170774 logGD-logG0= -0.001576 tlogG= -0.006875 logG= -0.008451 Density= 0.040838 ETOT(band)= -0.042674 trlgG= -0.052802 logG= -0.008451 TDE= -0.056460 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216231 ETOT(band)= -0.233042 trlgG= -0.293431 logG= -0.028948 TDE= -0.171418 Density= 0.321641 ETOT(band)= -0.350574 trlgG= -0.439640 logG= -0.028259 TDE= -0.170846 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.023899 logG= -0.029249 Density= 0.215600 ETOT(band)= -0.233764 trlgG= -0.294571 logG= -0.029249 TDE= -0.171424 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010143 tlogG= -0.045634 logG= -0.055777 Density= 0.323976 ETOT(band)= -0.347954 trlgG= -0.434996 logG= -0.055777 TDE= -0.341439 logGD-logG0= -0.010417 tlogG= -0.046418 logG= -0.056835 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323928 ETOT(band)= -0.348897 trlgG= -0.437616 logG= -0.056835 TDE= -0.342063 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009470 tlogG= -0.046610 logG= -0.056081 Density= 0.428017 ETOT(band)= -0.466863 trlgG= -0.584486 logG= -0.056081 TDE= -0.341617 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.023959 logG= -0.029293 Density= 0.323592 ETOT(band)= -0.350665 trlgG= -0.442138 logG= -0.029293 TDE= -0.171473 logGD-logG0= -0.009650 tlogG= -0.046608 logG= -0.056259 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.023685 logG= -0.029084 Density= 0.215363 ETOT(band)= -0.233617 trlgG= -0.293873 logG= -0.029084 TDE= -0.171247 logGD-logG0= -0.010222 tlogG= -0.047672 logG= -0.057893 Density= 0.322641 ETOT(band)= -0.349022 trlgG= -0.436430 logG= -0.056259 TDE= -0.341592 Density= 0.428210 ETOT(band)= -0.468150 trlgG= -0.587212 logG= -0.057893 TDE= -0.341888 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.024008 logG= -0.028732 Density= 0.214081 ETOT(band)= -0.234091 trlgG= -0.294147 logG= -0.028732 TDE= -0.171221 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023197 logG= -0.028350 Density= 0.214825 ETOT(band)= -0.232960 trlgG= -0.291238 logG= -0.028350 TDE= -0.170610 logGD-logG0= -0.009608 tlogG= -0.047842 logG= -0.057451 logGD-logG0= -0.008926 tlogG= -0.048099 logG= -0.057025 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427958 ETOT(band)= -0.468166 trlgG= -0.587879 logG= -0.057451 TDE= -0.342247 Density= 0.425462 ETOT(band)= -0.468353 trlgG= -0.586493 logG= -0.057025 TDE= -0.341760 logGD-logG0= -0.005419 tlogG= -0.023357 logG= -0.028776 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215063 ETOT(band)= -0.233359 trlgG= -0.292733 logG= -0.028776 TDE= -0.170954 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010726 tlogG= -0.047695 logG= -0.058422 logGD-logG0= -0.010111 tlogG= -0.048152 logG= -0.058263 Density= 0.429217 ETOT(band)= -0.468278 trlgG= -0.588652 logG= -0.058263 TDE= -0.342294 logGD-logG0= -0.001567 tlogG= -0.007589 logG= -0.009156 Density= 0.071483 ETOT(band)= -0.077350 trlgG= -0.096161 logG= -0.009156 TDE= -0.056734 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431002 ETOT(band)= -0.467478 trlgG= -0.588740 logG= -0.058422 TDE= -0.342757 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009416 tlogG= -0.046717 logG= -0.056132 logGD-logG0= -0.004767 tlogG= -0.023246 logG= -0.028013 Density= 0.213461 ETOT(band)= -0.233620 trlgG= -0.292241 logG= -0.028013 TDE= -0.170735 Density= 0.427812 ETOT(band)= -0.466142 trlgG= -0.581880 logG= -0.056132 TDE= -0.341201 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010244 tlogG= -0.048225 logG= -0.058469 Density= 0.429951 ETOT(band)= -0.468282 trlgG= -0.589420 logG= -0.058469 TDE= -0.342508 logGD-logG0= -0.009616 tlogG= -0.047654 logG= -0.057271 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426597 ETOT(band)= -0.468380 trlgG= -0.587012 logG= -0.057271 TDE= -0.341779 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010280 tlogG= -0.047960 logG= -0.058240 logGD-logG0= -0.009784 tlogG= -0.047857 logG= -0.057640 Density= 0.429053 ETOT(band)= -0.467941 trlgG= -0.587853 logG= -0.057640 TDE= -0.342235 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429121 ETOT(band)= -0.468240 trlgG= -0.588297 logG= -0.058240 TDE= -0.342134 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.048074 logG= -0.058529 logGD-logG0= -0.010622 tlogG= -0.047733 logG= -0.058356 Density= 0.430662 ETOT(band)= -0.467535 trlgG= -0.588380 logG= -0.058356 TDE= -0.342651 Density= 0.430057 ETOT(band)= -0.468112 trlgG= -0.589092 logG= -0.058529 TDE= -0.342634 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009570 tlogG= -0.047773 logG= -0.057344 Density= 0.427099 ETOT(band)= -0.467930 trlgG= -0.585864 logG= -0.057344 TDE= -0.341481 logGD-logG0= -0.004891 tlogG= -0.021303 logG= -0.026194 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162611 ETOT(band)= -0.172990 trlgG= -0.215933 logG= -0.026194 TDE= -0.169873 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009899 tlogG= -0.046404 logG= -0.056303 Density= 0.429446 ETOT(band)= -0.465570 trlgG= -0.581556 logG= -0.056303 TDE= -0.341313 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047272 logG= -0.057954 Density= 0.430393 ETOT(band)= -0.467111 trlgG= -0.586908 logG= -0.057954 TDE= -0.342267 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046934 logG= -0.057217 Density= 0.429794 ETOT(band)= -0.466486 trlgG= -0.584254 logG= -0.057217 TDE= -0.341602 logGD-logG0= -0.010651 tlogG= -0.048021 logG= -0.058671 Density= 0.431242 ETOT(band)= -0.467760 trlgG= -0.589733 logG= -0.058671 TDE= -0.343022 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005468 logG= -0.006689 Density= 0.081182 ETOT(band)= -0.086357 trlgG= -0.107378 logG= -0.006689 TDE= -0.042570 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009965 tlogG= -0.047562 logG= -0.057527 Density= 0.428526 ETOT(band)= -0.467494 trlgG= -0.586252 logG= -0.057527 TDE= -0.341933 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.022329 logG= -0.027148 Density= 0.322807 ETOT(band)= -0.347991 trlgG= -0.434041 logG= -0.027148 TDE= -0.170239 logGD-logG0= -0.010207 tlogG= -0.047574 logG= -0.057781 Density= 0.429923 ETOT(band)= -0.467132 trlgG= -0.586184 logG= -0.057781 TDE= -0.342047 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009935 tlogG= -0.044626 logG= -0.054561 Density= 0.324217 ETOT(band)= -0.346684 trlgG= -0.431986 logG= -0.054561 TDE= -0.340762 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007117 logG= -0.008805 Density= 0.072213 ETOT(band)= -0.076482 trlgG= -0.094849 logG= -0.008805 TDE= -0.056620 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.022294 logG= -0.027226 Density= 0.214219 ETOT(band)= -0.232447 trlgG= -0.289461 logG= -0.027226 TDE= -0.170158 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004778 tlogG= -0.022329 logG= -0.027107 Density= 0.214985 ETOT(band)= -0.231959 trlgG= -0.289108 logG= -0.027107 TDE= -0.170245 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021353 logG= -0.026327 Density= 0.216970 ETOT(band)= -0.229185 trlgG= -0.284303 logG= -0.026327 TDE= -0.169886 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009784 tlogG= -0.044629 logG= -0.054412 Density= 0.431515 ETOT(band)= -0.462097 trlgG= -0.574778 logG= -0.054412 TDE= -0.340398 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.827825545649 eV TrLogG= -407.265896680591 eV Ratio to renormalize= 1.000229511088 rho-rho_expected=-0.005048085345 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964643265297532 0.940365890008404 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001482 tlogG= -0.007811 logG= -0.009293 Density= 0.035486 ETOT(band)= -0.038924 trlgG= -0.048607 logG= -0.009293 TDE= -0.056873 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008044 logG= -0.009446 Density= 0.035307 ETOT(band)= -0.039075 trlgG= -0.048971 logG= -0.009446 TDE= -0.056997 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.024052 logG= -0.028362 Density= 0.106099 ETOT(band)= -0.117162 trlgG= -0.146786 logG= -0.028362 TDE= -0.170927 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023206 logG= -0.027817 Density= 0.106716 ETOT(band)= -0.116619 trlgG= -0.145467 logG= -0.027817 TDE= -0.170458 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023501 logG= -0.028224 Density= 0.106753 ETOT(band)= -0.116810 trlgG= -0.145951 logG= -0.028224 TDE= -0.170554 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010426 logG= -0.012823 Density= 0.054365 ETOT(band)= -0.057072 trlgG= -0.070696 logG= -0.012823 TDE= -0.084776 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004891 tlogG= -0.021565 logG= -0.026455 Density= 0.108488 ETOT(band)= -0.114878 trlgG= -0.142828 logG= -0.026455 TDE= -0.170058 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021695 logG= -0.026693 Density= 0.107907 ETOT(band)= -0.115341 trlgG= -0.143259 logG= -0.026693 TDE= -0.169964 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004534 tlogG= -0.024046 logG= -0.028580 Density= 0.106369 ETOT(band)= -0.117151 trlgG= -0.146795 logG= -0.028580 TDE= -0.170852 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023684 logG= -0.028960 Density= 0.107209 ETOT(band)= -0.117000 trlgG= -0.146845 logG= -0.028960 TDE= -0.170937 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.022876 logG= -0.027976 Density= 0.107593 ETOT(band)= -0.116295 trlgG= -0.145339 logG= -0.027976 TDE= -0.170606 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023669 logG= -0.028338 Density= 0.106578 ETOT(band)= -0.116957 trlgG= -0.146380 logG= -0.028338 TDE= -0.170782 logGD-logG0= -0.004871 tlogG= -0.024069 logG= -0.028940 logGD-logG0= -0.004698 tlogG= -0.023687 logG= -0.028385 Density= 0.106955 ETOT(band)= -0.116839 trlgG= -0.146485 logG= -0.028385 TDE= -0.171027 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107035 ETOT(band)= -0.117093 trlgG= -0.147162 logG= -0.028940 TDE= -0.171188 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.023894 logG= -0.028786 Density= 0.106737 ETOT(band)= -0.117111 trlgG= -0.146907 logG= -0.028786 TDE= -0.170940 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023197 logG= -0.028488 Density= 0.107660 ETOT(band)= -0.116543 trlgG= -0.146149 logG= -0.028488 TDE= -0.170936 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012032 logG= -0.014629 Density= 0.053751 ETOT(band)= -0.058533 trlgG= -0.073684 logG= -0.014629 TDE= -0.085654 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001048 TDE= -0.007052 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002320 tlogG= -0.011884 logG= -0.014203 logGD-logG0= -0.002415 tlogG= -0.012082 logG= -0.014497 Density= 0.053551 ETOT(band)= -0.058400 trlgG= -0.073264 logG= -0.014203 TDE= -0.085561 Density= 0.053574 ETOT(band)= -0.058544 trlgG= -0.073627 logG= -0.014497 TDE= -0.085640 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002327 tlogG= -0.011448 logG= -0.013775 Density= 0.053726 ETOT(band)= -0.058069 trlgG= -0.072500 logG= -0.013775 TDE= -0.085312 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002554 tlogG= -0.011984 logG= -0.014537 Density= 0.054125 ETOT(band)= -0.058295 trlgG= -0.073548 logG= -0.014537 TDE= -0.085794 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.023764 logG= -0.028903 Density= 0.108152 ETOT(band)= -0.116539 trlgG= -0.146822 logG= -0.028903 TDE= -0.171438 logGD-logG0= -0.005135 tlogG= -0.023430 logG= -0.028565 Density= 0.108106 ETOT(band)= -0.116377 trlgG= -0.146286 logG= -0.028565 TDE= -0.171217 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005025 tlogG= -0.022457 logG= -0.027482 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.115734 trlgG= -0.144564 logG= -0.027482 TDE= -0.170614 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004337 tlogG= -0.023975 logG= -0.028312 logGD-logG0= -0.002623 tlogG= -0.011988 logG= -0.014610 Density= 0.053970 ETOT(band)= -0.058416 trlgG= -0.073669 logG= -0.014610 TDE= -0.085766 logGD-logG0= -0.004852 tlogG= -0.022850 logG= -0.027702 logGD-logG0= -0.004942 tlogG= -0.022170 logG= -0.027112 Density= 0.106151 ETOT(band)= -0.117119 trlgG= -0.146673 logG= -0.028312 TDE= -0.170889 Density= 0.107724 ETOT(band)= -0.116090 trlgG= -0.144927 logG= -0.027702 TDE= -0.170532 logGD-logG0= -0.005268 tlogG= -0.024072 logG= -0.029340 Density= 0.107620 ETOT(band)= -0.117066 trlgG= -0.147514 logG= -0.029340 TDE= -0.171430 Density= 0.108334 ETOT(band)= -0.115428 trlgG= -0.143956 logG= -0.027112 TDE= -0.170454 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023950 logG= -0.029077 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108203 ETOT(band)= -0.116614 trlgG= -0.147101 logG= -0.029077 TDE= -0.171568 logGD-logG0= -0.005093 tlogG= -0.022983 logG= -0.028075 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108110 ETOT(band)= -0.116107 trlgG= -0.145511 logG= -0.028075 TDE= -0.170934 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.024093 logG= -0.029076 Density= 0.107357 ETOT(band)= -0.117031 trlgG= -0.147136 logG= -0.029076 TDE= -0.171186 logGD-logG0= -0.005114 tlogG= -0.023871 logG= -0.028985 Density= 0.108224 ETOT(band)= -0.116550 trlgG= -0.146952 logG= -0.028985 TDE= -0.171521 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023967 logG= -0.029186 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.024087 logG= -0.029365 logGD-logG0= -0.005020 tlogG= -0.022734 logG= -0.027754 Density= 0.108224 ETOT(band)= -0.115871 trlgG= -0.145000 logG= -0.027754 TDE= -0.170800 Density= 0.107864 ETOT(band)= -0.116974 trlgG= -0.147578 logG= -0.029365 TDE= -0.171590 Density= 0.107421 ETOT(band)= -0.117052 trlgG= -0.147241 logG= -0.029186 TDE= -0.171212 logGD-logG0= -0.005116 tlogG= -0.023605 logG= -0.028722 Density= 0.108178 ETOT(band)= -0.116424 trlgG= -0.146531 logG= -0.028722 TDE= -0.171341 logGD-logG0= -0.005311 tlogG= -0.024133 logG= -0.029444 logGD-logG0= -0.005301 tlogG= -0.023903 logG= -0.029203 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023688 logG= -0.028508 Density= 0.107357 ETOT(band)= -0.116720 trlgG= -0.146395 logG= -0.028508 TDE= -0.171012 Density= 0.107787 ETOT(band)= -0.117062 trlgG= -0.147703 logG= -0.029444 TDE= -0.171598 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107728 ETOT(band)= -0.116932 trlgG= -0.147299 logG= -0.029203 TDE= -0.171405 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023644 logG= -0.028631 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106957 ETOT(band)= -0.116929 trlgG= -0.146294 logG= -0.028631 TDE= -0.170591 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004698 tlogG= -0.022990 logG= -0.027688 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106851 ETOT(band)= -0.116488 trlgG= -0.145204 logG= -0.027688 TDE= -0.170392 logGD-logG0= -0.005001 tlogG= -0.022409 logG= -0.027410 Density= 0.107611 ETOT(band)= -0.115961 trlgG= -0.144443 logG= -0.027410 TDE= -0.170285 logGD-logG0= -0.005086 tlogG= -0.023216 logG= -0.028302 Density= 0.108169 ETOT(band)= -0.116200 trlgG= -0.145867 logG= -0.028302 TDE= -0.171093 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.022852 logG= -0.027582 logGD-logG0= -0.005264 tlogG= -0.023870 logG= -0.029134 Density= 0.107275 ETOT(band)= -0.116235 trlgG= -0.145053 logG= -0.027582 TDE= -0.170556 logGD-logG0= -0.005253 tlogG= -0.024058 logG= -0.029311 Density= 0.107922 ETOT(band)= -0.116907 trlgG= -0.147490 logG= -0.029311 TDE= -0.171584 Density= 0.107891 ETOT(band)= -0.116801 trlgG= -0.147193 logG= -0.029134 TDE= -0.171449 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009763 tlogG= -0.048244 logG= -0.058007 Density= 0.214360 ETOT(band)= -0.234143 trlgG= -0.294398 logG= -0.058007 TDE= -0.342467 logGD-logG0= -0.009449 tlogG= -0.045761 logG= -0.055210 Density= 0.214974 ETOT(band)= -0.232303 trlgG= -0.290008 logG= -0.055210 TDE= -0.341177 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001428 tlogG= -0.007966 logG= -0.009393 Density= 0.070854 ETOT(band)= -0.077950 trlgG= -0.097456 logG= -0.009393 TDE= -0.056958 logGD-logG0= -0.005302 tlogG= -0.023579 logG= -0.028881 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107776 ETOT(band)= -0.116704 trlgG= -0.146778 logG= -0.028881 TDE= -0.171230 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009909 tlogG= -0.047901 logG= -0.057810 logGD-logG0= -0.009086 tlogG= -0.047633 logG= -0.056719 Density= 0.213928 ETOT(band)= -0.234182 trlgG= -0.294086 logG= -0.057810 TDE= -0.342139 logGD-logG0= -0.009629 tlogG= -0.047160 logG= -0.056789 Density= 0.212888 ETOT(band)= -0.234037 trlgG= -0.292893 logG= -0.056719 TDE= -0.341521 Density= 0.213727 ETOT(band)= -0.233737 trlgG= -0.292822 logG= -0.056789 TDE= -0.341795 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009788 tlogG= -0.047157 logG= -0.056945 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047748 logG= -0.058233 Density= 0.214714 ETOT(band)= -0.234068 trlgG= -0.294234 logG= -0.058233 TDE= -0.342252 Density= 0.213737 ETOT(band)= -0.233782 trlgG= -0.292614 logG= -0.056945 TDE= -0.341437 logGD-logG0= -0.009515 tlogG= -0.047933 logG= -0.057448 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213234 ETOT(band)= -0.234246 trlgG= -0.293537 logG= -0.057448 TDE= -0.341608 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010287 tlogG= -0.047981 logG= -0.058269 logGD-logG0= -0.010349 tlogG= -0.047788 logG= -0.058137 Density= 0.214613 ETOT(band)= -0.234062 trlgG= -0.294064 logG= -0.058137 TDE= -0.342129 logGD-logG0= -0.010149 tlogG= -0.047662 logG= -0.057810 Density= 0.213909 ETOT(band)= -0.234169 trlgG= -0.293839 logG= -0.057810 TDE= -0.341881 Density= 0.215029 ETOT(band)= -0.233976 trlgG= -0.294328 logG= -0.058269 TDE= -0.342467 logGD-logG0= -0.004284 tlogG= -0.024132 logG= -0.028416 Density= 0.212137 ETOT(band)= -0.234375 trlgG= -0.293695 logG= -0.028416 TDE= -0.170966 logGD-logG0= -0.010439 tlogG= -0.048083 logG= -0.058522 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215026 ETOT(band)= -0.234121 trlgG= -0.294745 logG= -0.058522 TDE= -0.342628 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009833 tlogG= -0.045651 logG= -0.055484 logGD-logG0= -0.010504 tlogG= -0.047941 logG= -0.058445 Density= 0.215105 ETOT(band)= -0.232379 trlgG= -0.290000 logG= -0.055484 TDE= -0.340961 Density= 0.215849 ETOT(band)= -0.233684 trlgG= -0.294681 logG= -0.058445 TDE= -0.343048 logGD-logG0= -0.010032 tlogG= -0.048030 logG= -0.058062 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214489 ETOT(band)= -0.234091 trlgG= -0.294148 logG= -0.058062 TDE= -0.342226 logGD-logG0= -0.010375 tlogG= -0.047311 logG= -0.057686 logGD-logG0= -0.009402 tlogG= -0.047448 logG= -0.056850 Density= 0.214270 ETOT(band)= -0.233568 trlgG= -0.292953 logG= -0.056850 TDE= -0.342134 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214220 ETOT(band)= -0.233962 trlgG= -0.293315 logG= -0.057686 TDE= -0.341636 logGD-logG0= -0.010578 tlogG= -0.047529 logG= -0.058107 Density= 0.215653 ETOT(band)= -0.233568 trlgG= -0.294118 logG= -0.058107 TDE= -0.342727 logGD-logG0= -0.009729 tlogG= -0.045591 logG= -0.055320 logGD-logG0= -0.004417 tlogG= -0.023740 logG= -0.028158 Density= 0.213049 ETOT(band)= -0.233587 trlgG= -0.291773 logG= -0.028158 TDE= -0.170768 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214321 ETOT(band)= -0.232654 trlgG= -0.290185 logG= -0.055320 TDE= -0.340922 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001686 tlogG= -0.007305 logG= -0.008991 Density= 0.035836 ETOT(band)= -0.038575 trlgG= -0.047910 logG= -0.008991 TDE= -0.056653 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004587 tlogG= -0.023891 logG= -0.028478 logGD-logG0= -0.001620 tlogG= -0.006992 logG= -0.008612 Density= 0.036187 ETOT(band)= -0.038126 trlgG= -0.047249 logG= -0.008612 TDE= -0.056545 Density= 0.213243 ETOT(band)= -0.233863 trlgG= -0.292503 logG= -0.028478 TDE= -0.170771 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010633 tlogG= -0.048148 logG= -0.058780 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215378 ETOT(band)= -0.234138 trlgG= -0.295209 logG= -0.058780 TDE= -0.343009 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010146 tlogG= -0.046414 logG= -0.056560 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215171 ETOT(band)= -0.232941 trlgG= -0.291633 logG= -0.056560 TDE= -0.341550 logGD-logG0= -0.009757 tlogG= -0.047226 logG= -0.056982 logGD-logG0= -0.010542 tlogG= -0.047424 logG= -0.057966 Density= 0.215422 ETOT(band)= -0.233609 trlgG= -0.293877 logG= -0.057966 TDE= -0.342513 Density= 0.214435 ETOT(band)= -0.233529 trlgG= -0.292727 logG= -0.056982 TDE= -0.341858 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010058 tlogG= -0.047154 logG= -0.057212 logGD-logG0= -0.010585 tlogG= -0.046881 logG= -0.057466 Density= 0.215107 ETOT(band)= -0.233343 trlgG= -0.292650 logG= -0.057212 TDE= -0.341884 Density= 0.215384 ETOT(band)= -0.233332 trlgG= -0.293077 logG= -0.057466 TDE= -0.342193 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002457 tlogG= -0.010841 logG= -0.013298 Density= 0.054051 ETOT(band)= -0.057589 trlgG= -0.071542 logG= -0.013298 TDE= -0.084991 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.021875 logG= -0.026852 Density= 0.108298 ETOT(band)= -0.115244 trlgG= -0.143508 logG= -0.026852 TDE= -0.170247 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010520 tlogG= -0.048017 logG= -0.058537 Density= 0.215063 ETOT(band)= -0.234112 trlgG= -0.294772 logG= -0.058537 TDE= -0.342659 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.020990 logG= -0.025799 Density= 0.108683 ETOT(band)= -0.114290 trlgG= -0.141672 logG= -0.025799 TDE= -0.169654 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001183 tlogG= -0.005171 logG= -0.006354 Density= 0.062528 ETOT(band)= -0.067545 trlgG= -0.084211 logG= -0.006354 TDE= -0.042357 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005057 tlogG= -0.021818 logG= -0.026875 Density= 0.107765 ETOT(band)= -0.115534 trlgG= -0.143569 logG= -0.026875 TDE= -0.170021 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010559 tlogG= -0.047890 logG= -0.058449 Density= 0.215721 ETOT(band)= -0.233757 trlgG= -0.294682 logG= -0.058449 TDE= -0.342983 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009989 tlogG= -0.043391 logG= -0.053380 Density= 0.216228 ETOT(band)= -0.230471 trlgG= -0.286495 logG= -0.053380 TDE= -0.340115 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005307 logG= -0.006508 logGD-logG0= -0.005064 tlogG= -0.021880 logG= -0.026944 Density= 0.216577 ETOT(band)= -0.230289 trlgG= -0.286500 logG= -0.026944 TDE= -0.170215 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081538 ETOT(band)= -0.085687 trlgG= -0.106216 logG= -0.006508 TDE= -0.042458 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004933 tlogG= -0.021207 logG= -0.026139 Density= 0.216297 ETOT(band)= -0.230041 trlgG= -0.285552 logG= -0.026139 TDE= -0.169790 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004561 tlogG= -0.023973 logG= -0.028535 Density= 0.212771 ETOT(band)= -0.234272 trlgG= -0.293496 logG= -0.028535 TDE= -0.170820 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.024007 logG= -0.028731 logGD-logG0= -0.004767 tlogG= -0.023245 logG= -0.028012 Density= 0.213460 ETOT(band)= -0.233616 trlgG= -0.292234 logG= -0.028012 TDE= -0.170733 Density= 0.214080 ETOT(band)= -0.234086 trlgG= -0.294140 logG= -0.028731 TDE= -0.171218 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023957 logG= -0.029019 logGD-logG0= -0.004819 tlogG= -0.023836 logG= -0.028655 Density= 0.213534 ETOT(band)= -0.234148 trlgG= -0.293750 logG= -0.028655 TDE= -0.171037 Density= 0.214298 ETOT(band)= -0.234096 trlgG= -0.293923 logG= -0.029019 TDE= -0.171051 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023196 logG= -0.028349 Density= 0.214824 ETOT(band)= -0.232956 trlgG= -0.291231 logG= -0.028349 TDE= -0.170607 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004636 tlogG= -0.023371 logG= -0.028007 Density= 0.214143 ETOT(band)= -0.233373 trlgG= -0.292346 logG= -0.028007 TDE= -0.170897 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023356 logG= -0.028775 Density= 0.215062 ETOT(band)= -0.233355 trlgG= -0.292726 logG= -0.028775 TDE= -0.170951 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005619 logG= -0.006853 Density= 0.080820 ETOT(band)= -0.086968 trlgG= -0.108613 logG= -0.006853 TDE= -0.042667 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005748 logG= -0.007002 Density= 0.080620 ETOT(band)= -0.087397 trlgG= -0.109615 logG= -0.007002 TDE= -0.042744 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005856 logG= -0.007124 Density= 0.080632 ETOT(band)= -0.087612 trlgG= -0.110170 logG= -0.007124 TDE= -0.042809 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005939 logG= -0.007213 Density= 0.080814 ETOT(band)= -0.087647 trlgG= -0.110368 logG= -0.007213 TDE= -0.042863 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005984 logG= -0.007256 Density= 0.081042 ETOT(band)= -0.087550 trlgG= -0.110421 logG= -0.007256 TDE= -0.042893 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022440 logG= -0.027542 Density= 0.216322 ETOT(band)= -0.231286 trlgG= -0.288616 logG= -0.027542 TDE= -0.170555 logGD-logG0= -0.005209 tlogG= -0.024001 logG= -0.029210 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215640 ETOT(band)= -0.233857 trlgG= -0.294836 logG= -0.029210 TDE= -0.171566 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.022968 logG= -0.028132 Density= 0.216177 ETOT(band)= -0.232084 trlgG= -0.290601 logG= -0.028132 TDE= -0.170889 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.023799 logG= -0.029042 Density= 0.215289 ETOT(band)= -0.233763 trlgG= -0.294181 logG= -0.029042 TDE= -0.171413 logGD-logG0= -0.004900 tlogG= -0.023883 logG= -0.028784 Density= 0.213748 ETOT(band)= -0.234010 trlgG= -0.293014 logG= -0.028784 TDE= -0.170781 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023415 logG= -0.028607 Density= 0.216150 ETOT(band)= -0.232658 trlgG= -0.292217 logG= -0.028607 TDE= -0.171177 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.023483 logG= -0.028719 Density= 0.215170 ETOT(band)= -0.233328 trlgG= -0.292918 logG= -0.028719 TDE= -0.171156 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.023999 logG= -0.029172 Density= 0.216306 ETOT(band)= -0.233339 trlgG= -0.294361 logG= -0.029172 TDE= -0.171583 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004756 tlogG= -0.024006 logG= -0.028762 Density= 0.321504 ETOT(band)= -0.351108 trlgG= -0.441354 logG= -0.028762 TDE= -0.171214 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.024122 logG= -0.029424 Density= 0.215672 ETOT(band)= -0.234013 trlgG= -0.295251 logG= -0.029424 TDE= -0.171598 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023846 logG= -0.028904 Density= 0.215450 ETOT(band)= -0.233759 trlgG= -0.294285 logG= -0.028904 TDE= -0.171101 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010375 tlogG= -0.047786 logG= -0.058161 Density= 0.324277 ETOT(band)= -0.349914 trlgG= -0.441040 logG= -0.058161 TDE= -0.343006 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023956 logG= -0.029122 logGD-logG0= -0.005013 tlogG= -0.023245 logG= -0.028258 Density= 0.216339 ETOT(band)= -0.233235 trlgG= -0.294129 logG= -0.029122 TDE= -0.171556 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321639 ETOT(band)= -0.350567 trlgG= -0.439629 logG= -0.028258 TDE= -0.170843 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.024157 logG= -0.029159 Density= 0.214698 ETOT(band)= -0.234168 trlgG= -0.294538 logG= -0.029159 TDE= -0.171224 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023587 logG= -0.028060 logGD-logG0= -0.010143 tlogG= -0.045631 logG= -0.055775 logGD-logG0= -0.005232 tlogG= -0.024085 logG= -0.029317 Density= 0.323974 ETOT(band)= -0.347947 trlgG= -0.434986 logG= -0.055775 TDE= -0.341434 logGD-logG0= -0.010421 tlogG= -0.047235 logG= -0.057656 Density= 0.324061 ETOT(band)= -0.349547 trlgG= -0.439691 logG= -0.057656 TDE= -0.342615 Density= 0.322994 ETOT(band)= -0.351193 trlgG= -0.442684 logG= -0.029317 TDE= -0.171411 Density= 0.212583 ETOT(band)= -0.233994 trlgG= -0.292748 logG= -0.028060 TDE= -0.170683 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006874 logG= -0.008450 Density= 0.040838 ETOT(band)= -0.042673 trlgG= -0.052801 logG= -0.008450 TDE= -0.056459 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009651 tlogG= -0.046606 logG= -0.056257 logGD-logG0= -0.005186 tlogG= -0.023762 logG= -0.028947 logGD-logG0= -0.005028 tlogG= -0.024163 logG= -0.029190 Density= 0.216229 ETOT(band)= -0.233037 trlgG= -0.293424 logG= -0.028947 TDE= -0.171415 Density= 0.322639 ETOT(band)= -0.349015 trlgG= -0.436420 logG= -0.056257 TDE= -0.341587 Density= 0.322375 ETOT(band)= -0.351222 trlgG= -0.442033 logG= -0.029190 TDE= -0.171219 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023368 logG= -0.028035 logGD-logG0= -0.010659 tlogG= -0.048041 logG= -0.058699 Density= 0.321574 ETOT(band)= -0.350060 trlgG= -0.438777 logG= -0.028035 TDE= -0.170889 Density= 0.323179 ETOT(band)= -0.350985 trlgG= -0.442381 logG= -0.058699 TDE= -0.342999 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.023898 logG= -0.029248 Density= 0.215599 ETOT(band)= -0.233760 trlgG= -0.294564 logG= -0.029248 TDE= -0.171422 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.023957 logG= -0.029292 Density= 0.323590 ETOT(band)= -0.350659 trlgG= -0.442127 logG= -0.029292 TDE= -0.171470 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.046415 logG= -0.056833 Density= 0.323926 ETOT(band)= -0.348891 trlgG= -0.437605 logG= -0.056833 TDE= -0.342057 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022906 logG= -0.027857 Density= 0.214753 ETOT(band)= -0.232402 trlgG= -0.289701 logG= -0.027857 TDE= -0.170420 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009609 tlogG= -0.047840 logG= -0.057448 Density= 0.427956 ETOT(band)= -0.468157 trlgG= -0.587865 logG= -0.057448 TDE= -0.342242 logGD-logG0= -0.001221 tlogG= -0.005468 logG= -0.006689 Density= 0.081181 ETOT(band)= -0.086356 trlgG= -0.107375 logG= -0.006689 TDE= -0.042570 logGD-logG0= -0.005399 tlogG= -0.023684 logG= -0.029083 logGD-logG0= -0.008926 tlogG= -0.048097 logG= -0.057023 Density= 0.425461 ETOT(band)= -0.468343 trlgG= -0.586479 logG= -0.057023 TDE= -0.341755 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215362 ETOT(band)= -0.233612 trlgG= -0.293866 logG= -0.029083 TDE= -0.171244 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001567 tlogG= -0.007588 logG= -0.009155 Density= 0.071483 ETOT(band)= -0.077348 trlgG= -0.096159 logG= -0.009155 TDE= -0.056733 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010112 tlogG= -0.048149 logG= -0.058261 Density= 0.429214 ETOT(band)= -0.468269 trlgG= -0.588637 logG= -0.058261 TDE= -0.342289 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010222 tlogG= -0.047669 logG= -0.057891 Density= 0.428208 ETOT(band)= -0.468141 trlgG= -0.587198 logG= -0.057891 TDE= -0.341883 logGD-logG0= -0.004892 tlogG= -0.021302 logG= -0.026193 logGD-logG0= -0.010280 tlogG= -0.047957 logG= -0.058238 Density= 0.429118 ETOT(band)= -0.468231 trlgG= -0.588282 logG= -0.058238 TDE= -0.342128 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162610 ETOT(band)= -0.172987 trlgG= -0.215928 logG= -0.026193 TDE= -0.169870 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010454 tlogG= -0.048072 logG= -0.058527 logGD-logG0= -0.009471 tlogG= -0.046608 logG= -0.056079 Density= 0.430055 ETOT(band)= -0.468103 trlgG= -0.589077 logG= -0.058527 TDE= -0.342628 Density= 0.428015 ETOT(band)= -0.466853 trlgG= -0.584472 logG= -0.056079 TDE= -0.341612 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009616 tlogG= -0.047652 logG= -0.057268 Density= 0.426595 ETOT(band)= -0.468370 trlgG= -0.586997 logG= -0.057268 TDE= -0.341773 logGD-logG0= -0.009570 tlogG= -0.047771 logG= -0.057341 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010727 tlogG= -0.047692 logG= -0.058420 logGD-logG0= -0.010623 tlogG= -0.047731 logG= -0.058353 Density= 0.430660 ETOT(band)= -0.467526 trlgG= -0.588365 logG= -0.058353 TDE= -0.342645 Density= 0.430999 ETOT(band)= -0.467469 trlgG= -0.588726 logG= -0.058420 TDE= -0.342752 Density= 0.427097 ETOT(band)= -0.467920 trlgG= -0.585850 logG= -0.057341 TDE= -0.341475 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047854 logG= -0.057638 Density= 0.429051 ETOT(band)= -0.467932 trlgG= -0.587839 logG= -0.057638 TDE= -0.342229 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009900 tlogG= -0.046401 logG= -0.056301 Density= 0.429444 ETOT(band)= -0.465561 trlgG= -0.581542 logG= -0.056301 TDE= -0.341307 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009965 tlogG= -0.047560 logG= -0.057525 logGD-logG0= -0.004779 tlogG= -0.022327 logG= -0.027106 Density= 0.214984 ETOT(band)= -0.231955 trlgG= -0.289101 logG= -0.027106 TDE= -0.170242 Density= 0.428524 ETOT(band)= -0.467485 trlgG= -0.586237 logG= -0.057525 TDE= -0.341928 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010284 tlogG= -0.046932 logG= -0.057215 logGD-logG0= -0.004819 tlogG= -0.022328 logG= -0.027147 Density= 0.429791 ETOT(band)= -0.466477 trlgG= -0.584240 logG= -0.057215 TDE= -0.341596 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322805 ETOT(band)= -0.347984 trlgG= -0.434030 logG= -0.027147 TDE= -0.170237 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010208 tlogG= -0.047571 logG= -0.057779 Density= 0.429921 ETOT(band)= -0.467123 trlgG= -0.586169 logG= -0.057779 TDE= -0.342041 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047270 logG= -0.057952 Density= 0.430390 ETOT(band)= -0.467102 trlgG= -0.586894 logG= -0.057952 TDE= -0.342261 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009416 tlogG= -0.046714 logG= -0.056130 Density= 0.427810 ETOT(band)= -0.466132 trlgG= -0.581866 logG= -0.056130 TDE= -0.341196 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010244 tlogG= -0.048222 logG= -0.058467 Density= 0.429949 ETOT(band)= -0.468272 trlgG= -0.589405 logG= -0.058467 TDE= -0.342503 logGD-logG0= -0.009935 tlogG= -0.044624 logG= -0.054559 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324215 ETOT(band)= -0.346678 trlgG= -0.431976 logG= -0.054559 TDE= -0.340756 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007117 logG= -0.008805 Density= 0.072213 ETOT(band)= -0.076480 trlgG= -0.094846 logG= -0.008805 TDE= -0.056619 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010651 tlogG= -0.048018 logG= -0.058669 logGD-logG0= -0.004932 tlogG= -0.022293 logG= -0.027225 Density= 0.214218 ETOT(band)= -0.232443 trlgG= -0.289454 logG= -0.027225 TDE= -0.170155 Density= 0.431239 ETOT(band)= -0.467752 trlgG= -0.589719 logG= -0.058669 TDE= -0.343016 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.022474 logG= -0.027375 Density= 0.214978 ETOT(band)= -0.231666 trlgG= -0.288058 logG= -0.027375 TDE= -0.170169 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.021351 logG= -0.026326 Density= 0.216969 ETOT(band)= -0.229181 trlgG= -0.284296 logG= -0.026326 TDE= -0.169884 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009784 tlogG= -0.044626 logG= -0.054410 Density= 0.431513 ETOT(band)= -0.462088 trlgG= -0.574764 logG= -0.054410 TDE= -0.340393 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.821535595361 eV TrLogG= -407.255279498630 eV Ratio to renormalize= 1.000234888896 rho-rho_expected=-0.005166342203 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964645463942479 0.940373894636731 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001482 tlogG= -0.007812 logG= -0.009294 Density= 0.035486 ETOT(band)= -0.038926 trlgG= -0.048609 logG= -0.009294 TDE= -0.056875 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024054 logG= -0.028364 Density= 0.106100 ETOT(band)= -0.117167 trlgG= -0.146793 logG= -0.028364 TDE= -0.170932 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022411 logG= -0.027412 Density= 0.107612 ETOT(band)= -0.115966 trlgG= -0.144450 logG= -0.027412 TDE= -0.170291 logGD-logG0= -0.004698 tlogG= -0.022992 logG= -0.027690 Density= 0.106852 ETOT(band)= -0.116493 trlgG= -0.145211 logG= -0.027690 TDE= -0.170398 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006993 logG= -0.008612 Density= 0.036188 ETOT(band)= -0.038128 trlgG= -0.047252 logG= -0.008612 TDE= -0.056547 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004890 tlogG= -0.021568 logG= -0.026458 Density= 0.108489 ETOT(band)= -0.114882 trlgG= -0.142835 logG= -0.026458 TDE= -0.170063 logGD-logG0= -0.004809 tlogG= -0.020993 logG= -0.025801 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108685 ETOT(band)= -0.114294 trlgG= -0.141679 logG= -0.025801 TDE= -0.169660 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005057 tlogG= -0.021821 logG= -0.026878 Density= 0.107766 ETOT(band)= -0.115538 trlgG= -0.143576 logG= -0.026878 TDE= -0.170026 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002327 tlogG= -0.011449 logG= -0.013776 Density= 0.053726 ETOT(band)= -0.058071 trlgG= -0.072504 logG= -0.013776 TDE= -0.085314 logGD-logG0= -0.002320 tlogG= -0.011885 logG= -0.014204 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053552 ETOT(band)= -0.058402 trlgG= -0.073268 logG= -0.014204 TDE= -0.085564 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024049 logG= -0.028582 Density= 0.106370 ETOT(band)= -0.117156 trlgG= -0.146802 logG= -0.028582 TDE= -0.170857 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023219 logG= -0.028304 Density= 0.108170 ETOT(band)= -0.116205 trlgG= -0.145874 logG= -0.028304 TDE= -0.171099 logGD-logG0= -0.004987 tlogG= -0.023646 logG= -0.028633 Density= 0.106958 ETOT(band)= -0.116933 trlgG= -0.146302 logG= -0.028633 TDE= -0.170597 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023687 logG= -0.028962 Density= 0.107211 ETOT(band)= -0.117005 trlgG= -0.146852 logG= -0.028962 TDE= -0.170943 logGD-logG0= -0.004697 tlogG= -0.023689 logG= -0.028387 Density= 0.106956 ETOT(band)= -0.116844 trlgG= -0.146492 logG= -0.028387 TDE= -0.171033 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.023199 logG= -0.028490 Density= 0.107661 ETOT(band)= -0.116548 trlgG= -0.146156 logG= -0.028490 TDE= -0.170942 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012034 logG= -0.014630 Density= 0.053752 ETOT(band)= -0.058535 trlgG= -0.073688 logG= -0.014630 TDE= -0.085657 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002415 tlogG= -0.012083 logG= -0.014498 Density= 0.053574 ETOT(band)= -0.058546 trlgG= -0.073630 logG= -0.014498 TDE= -0.085643 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008045 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039077 trlgG= -0.048973 logG= -0.009447 TDE= -0.056999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022460 logG= -0.027484 Density= 0.108180 ETOT(band)= -0.115739 trlgG= -0.144571 logG= -0.027484 TDE= -0.170620 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002553 tlogG= -0.011985 logG= -0.014539 Density= 0.054125 ETOT(band)= -0.058297 trlgG= -0.073552 logG= -0.014539 TDE= -0.085797 logGD-logG0= -0.005268 tlogG= -0.024074 logG= -0.029342 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107621 ETOT(band)= -0.117071 trlgG= -0.147522 logG= -0.029342 TDE= -0.171436 logGD-logG0= -0.002622 tlogG= -0.011989 logG= -0.014611 Density= 0.053971 ETOT(band)= -0.058418 trlgG= -0.073672 logG= -0.014611 TDE= -0.085769 logGD-logG0= -0.005139 tlogG= -0.023767 logG= -0.028906 Density= 0.108154 ETOT(band)= -0.116544 trlgG= -0.146829 logG= -0.028906 TDE= -0.171444 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.023953 logG= -0.029079 logGD-logG0= -0.005134 tlogG= -0.023433 logG= -0.028567 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108204 ETOT(band)= -0.116618 trlgG= -0.147108 logG= -0.029079 TDE= -0.171574 Density= 0.108107 ETOT(band)= -0.116382 trlgG= -0.146293 logG= -0.028567 TDE= -0.171223 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022853 logG= -0.027705 Density= 0.107726 ETOT(band)= -0.116095 trlgG= -0.144934 logG= -0.027705 TDE= -0.170538 logGD-logG0= -0.004941 tlogG= -0.022173 logG= -0.027114 logGD-logG0= -0.005092 tlogG= -0.022986 logG= -0.028078 Density= 0.108335 ETOT(band)= -0.115432 trlgG= -0.143963 logG= -0.027114 TDE= -0.170459 Density= 0.108112 ETOT(band)= -0.116112 trlgG= -0.145519 logG= -0.028078 TDE= -0.170940 logGD-logG0= -0.004337 tlogG= -0.023977 logG= -0.028314 Density= 0.106152 ETOT(band)= -0.117124 trlgG= -0.146680 logG= -0.028314 TDE= -0.170895 logGD-logG0= -0.004983 tlogG= -0.024095 logG= -0.029078 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107359 ETOT(band)= -0.117036 trlgG= -0.147143 logG= -0.029078 TDE= -0.171192 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023874 logG= -0.028988 logGD-logG0= -0.004611 tlogG= -0.023208 logG= -0.027819 Density= 0.108225 ETOT(band)= -0.116554 trlgG= -0.146959 logG= -0.028988 TDE= -0.171526 logGD-logG0= -0.005116 tlogG= -0.023608 logG= -0.028724 Density= 0.108180 ETOT(band)= -0.116428 trlgG= -0.146538 logG= -0.028724 TDE= -0.171347 Density= 0.106717 ETOT(band)= -0.116624 trlgG= -0.145474 logG= -0.027819 TDE= -0.170463 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024090 logG= -0.029367 logGD-logG0= -0.005310 tlogG= -0.024136 logG= -0.029446 Density= 0.107789 ETOT(band)= -0.117066 trlgG= -0.147711 logG= -0.029446 TDE= -0.171604 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107865 ETOT(band)= -0.116978 trlgG= -0.147586 logG= -0.029367 TDE= -0.171595 logGD-logG0= -0.004819 tlogG= -0.023691 logG= -0.028510 logGD-logG0= -0.005099 tlogG= -0.022878 logG= -0.027978 Density= 0.107358 ETOT(band)= -0.116725 trlgG= -0.146402 logG= -0.028510 TDE= -0.171018 Density= 0.107594 ETOT(band)= -0.116299 trlgG= -0.145346 logG= -0.027978 TDE= -0.170612 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023672 logG= -0.028340 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.023896 logG= -0.028788 Density= 0.106579 ETOT(band)= -0.116962 trlgG= -0.146387 logG= -0.028340 TDE= -0.170788 logGD-logG0= -0.005300 tlogG= -0.023905 logG= -0.029206 Density= 0.106738 ETOT(band)= -0.117116 trlgG= -0.146914 logG= -0.028788 TDE= -0.170945 Density= 0.107729 ETOT(band)= -0.116937 trlgG= -0.147306 logG= -0.029206 TDE= -0.171411 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.024072 logG= -0.028942 Density= 0.107037 ETOT(band)= -0.117097 trlgG= -0.147169 logG= -0.028942 TDE= -0.171194 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023503 logG= -0.028226 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005019 tlogG= -0.022737 logG= -0.027756 Density= 0.108225 ETOT(band)= -0.115875 trlgG= -0.145007 logG= -0.027756 TDE= -0.170806 Density= 0.106754 ETOT(band)= -0.116815 trlgG= -0.145958 logG= -0.028226 TDE= -0.170559 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.024061 logG= -0.029313 Density= 0.107924 ETOT(band)= -0.116911 trlgG= -0.147497 logG= -0.029313 TDE= -0.171590 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004729 tlogG= -0.022855 logG= -0.027584 Density= 0.107276 ETOT(band)= -0.116239 trlgG= -0.145060 logG= -0.027584 TDE= -0.170562 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023873 logG= -0.029136 Density= 0.107892 ETOT(band)= -0.116805 trlgG= -0.147201 logG= -0.029136 TDE= -0.171455 logGD-logG0= -0.005219 tlogG= -0.023970 logG= -0.029188 Density= 0.107423 ETOT(band)= -0.117057 trlgG= -0.147248 logG= -0.029188 TDE= -0.171218 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023582 logG= -0.028883 logGD-logG0= -0.009448 tlogG= -0.045767 logG= -0.055215 Density= 0.107777 ETOT(band)= -0.116709 trlgG= -0.146786 logG= -0.028883 TDE= -0.171236 Density= 0.214976 ETOT(band)= -0.232312 trlgG= -0.290022 logG= -0.055215 TDE= -0.341188 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009086 tlogG= -0.047637 logG= -0.056724 Density= 0.212890 ETOT(band)= -0.234046 trlgG= -0.292907 logG= -0.056724 TDE= -0.341532 logGD-logG0= -0.009762 tlogG= -0.048250 logG= -0.058012 Density= 0.214362 ETOT(band)= -0.234153 trlgG= -0.294413 logG= -0.058012 TDE= -0.342478 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009628 tlogG= -0.047165 logG= -0.056794 logGD-logG0= -0.010484 tlogG= -0.047753 logG= -0.058237 Density= 0.213729 ETOT(band)= -0.233747 trlgG= -0.292837 logG= -0.056794 TDE= -0.341807 logGD-logG0= -0.009788 tlogG= -0.047162 logG= -0.056950 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009728 tlogG= -0.045597 logG= -0.055324 Density= 0.214323 ETOT(band)= -0.232663 trlgG= -0.290199 logG= -0.055324 TDE= -0.340933 Density= 0.214716 ETOT(band)= -0.234077 trlgG= -0.294249 logG= -0.058237 TDE= -0.342264 Density= 0.213739 ETOT(band)= -0.233791 trlgG= -0.292629 logG= -0.056950 TDE= -0.341448 logGD-logG0= -0.009515 tlogG= -0.047937 logG= -0.057453 Density= 0.213236 ETOT(band)= -0.234255 trlgG= -0.293552 logG= -0.057453 TDE= -0.341619 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009401 tlogG= -0.047453 logG= -0.056854 Density= 0.214272 ETOT(band)= -0.233577 trlgG= -0.292967 logG= -0.056854 TDE= -0.342146 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010439 tlogG= -0.048088 logG= -0.058527 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215029 ETOT(band)= -0.234131 trlgG= -0.294760 logG= -0.058527 TDE= -0.342640 logGD-logG0= -0.010287 tlogG= -0.047987 logG= -0.058273 Density= 0.215032 ETOT(band)= -0.233985 trlgG= -0.294343 logG= -0.058273 TDE= -0.342478 logGD-logG0= -0.009908 tlogG= -0.047906 logG= -0.057814 logGD-logG0= -0.001428 tlogG= -0.007966 logG= -0.009394 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070855 ETOT(band)= -0.077953 trlgG= -0.097461 logG= -0.009394 TDE= -0.056960 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213930 ETOT(band)= -0.234192 trlgG= -0.294101 logG= -0.057814 TDE= -0.342150 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010348 tlogG= -0.047793 logG= -0.058141 Density= 0.214616 ETOT(band)= -0.234071 trlgG= -0.294079 logG= -0.058141 TDE= -0.342140 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010148 tlogG= -0.047667 logG= -0.057815 logGD-logG0= -0.010031 tlogG= -0.048035 logG= -0.058067 Density= 0.214492 ETOT(band)= -0.234100 trlgG= -0.294162 logG= -0.058067 TDE= -0.342237 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213911 ETOT(band)= -0.234179 trlgG= -0.293853 logG= -0.057815 TDE= -0.341892 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010577 tlogG= -0.047535 logG= -0.058111 Density= 0.215656 ETOT(band)= -0.233577 trlgG= -0.294133 logG= -0.058111 TDE= -0.342739 logGD-logG0= -0.010502 tlogG= -0.047947 logG= -0.058450 logGD-logG0= -0.010375 tlogG= -0.047316 logG= -0.057691 Density= 0.214222 ETOT(band)= -0.233972 trlgG= -0.293330 logG= -0.057691 TDE= -0.341647 logGD-logG0= -0.010520 tlogG= -0.048022 logG= -0.058542 logGD-logG0= -0.010145 tlogG= -0.046419 logG= -0.056564 Density= 0.215851 ETOT(band)= -0.233694 trlgG= -0.294695 logG= -0.058450 TDE= -0.343060 Density= 0.215066 ETOT(band)= -0.234122 trlgG= -0.294787 logG= -0.058542 TDE= -0.342670 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215173 ETOT(band)= -0.232950 trlgG= -0.291648 logG= -0.056564 TDE= -0.341562 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009832 tlogG= -0.045656 logG= -0.055488 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215107 ETOT(band)= -0.232388 trlgG= -0.290014 logG= -0.055488 TDE= -0.340972 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001686 tlogG= -0.007305 logG= -0.008992 logGD-logG0= -0.010542 tlogG= -0.047429 logG= -0.057971 logGD-logG0= -0.004284 tlogG= -0.024134 logG= -0.028418 Density= 0.212139 ETOT(band)= -0.234385 trlgG= -0.293709 logG= -0.028418 TDE= -0.170971 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215425 ETOT(band)= -0.233618 trlgG= -0.293892 logG= -0.057971 TDE= -0.342524 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035836 ETOT(band)= -0.038577 trlgG= -0.047912 logG= -0.008992 TDE= -0.056654 logGD-logG0= -0.010557 tlogG= -0.047896 logG= -0.058453 Density= 0.215724 ETOT(band)= -0.233766 trlgG= -0.294697 logG= -0.058453 TDE= -0.342995 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.046886 logG= -0.057470 logGD-logG0= -0.002396 tlogG= -0.010428 logG= -0.012824 Density= 0.054365 ETOT(band)= -0.057074 trlgG= -0.070700 logG= -0.012824 TDE= -0.084779 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215386 ETOT(band)= -0.233341 trlgG= -0.293091 logG= -0.057470 TDE= -0.342205 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009756 tlogG= -0.047231 logG= -0.056987 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214437 ETOT(band)= -0.233538 trlgG= -0.292741 logG= -0.056987 TDE= -0.341869 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002457 tlogG= -0.010842 logG= -0.013299 Density= 0.054051 ETOT(band)= -0.057592 trlgG= -0.071546 logG= -0.013299 TDE= -0.084994 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010632 tlogG= -0.048153 logG= -0.058785 Density= 0.215381 ETOT(band)= -0.234147 trlgG= -0.295224 logG= -0.058785 TDE= -0.343020 logGD-logG0= -0.010057 tlogG= -0.047159 logG= -0.057216 Density= 0.215109 ETOT(band)= -0.233352 trlgG= -0.292665 logG= -0.057216 TDE= -0.341896 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.021878 logG= -0.026854 Density= 0.108299 ETOT(band)= -0.115249 trlgG= -0.143515 logG= -0.026854 TDE= -0.170252 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001688 tlogG= -0.007118 logG= -0.008806 Density= 0.072214 ETOT(band)= -0.076483 trlgG= -0.094851 logG= -0.008806 TDE= -0.056621 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.022295 logG= -0.027227 Density= 0.214220 ETOT(band)= -0.232452 trlgG= -0.289468 logG= -0.027227 TDE= -0.170161 logGD-logG0= -0.009988 tlogG= -0.043396 logG= -0.053384 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216231 ETOT(band)= -0.230480 trlgG= -0.286509 logG= -0.053384 TDE= -0.340126 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021698 logG= -0.026695 Density= 0.107909 ETOT(band)= -0.115345 trlgG= -0.143266 logG= -0.026695 TDE= -0.169970 logGD-logG0= -0.004900 tlogG= -0.022476 logG= -0.027377 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214980 ETOT(band)= -0.231675 trlgG= -0.288072 logG= -0.027377 TDE= -0.170174 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022908 logG= -0.027859 Density= 0.214755 ETOT(band)= -0.232411 trlgG= -0.289716 logG= -0.027859 TDE= -0.170425 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021883 logG= -0.026946 Density= 0.216579 ETOT(band)= -0.230298 trlgG= -0.286514 logG= -0.026946 TDE= -0.170221 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021354 logG= -0.026328 Density= 0.216971 ETOT(band)= -0.229190 trlgG= -0.284310 logG= -0.026328 TDE= -0.169889 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001233 tlogG= -0.005620 logG= -0.006853 Density= 0.080821 ETOT(band)= -0.086972 trlgG= -0.108618 logG= -0.006853 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080621 ETOT(band)= -0.087401 trlgG= -0.109621 logG= -0.007003 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023975 logG= -0.028537 Density= 0.212774 ETOT(band)= -0.234282 trlgG= -0.293510 logG= -0.028537 TDE= -0.170825 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023418 logG= -0.028609 Density= 0.216152 ETOT(band)= -0.232667 trlgG= -0.292231 logG= -0.028609 TDE= -0.171182 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.023886 logG= -0.028786 Density= 0.213750 ETOT(band)= -0.234020 trlgG= -0.293029 logG= -0.028786 TDE= -0.170787 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.023374 logG= -0.028009 Density= 0.214145 ETOT(band)= -0.233383 trlgG= -0.292361 logG= -0.028009 TDE= -0.170902 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023358 logG= -0.028777 Density= 0.215065 ETOT(band)= -0.233364 trlgG= -0.292740 logG= -0.028777 TDE= -0.170957 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023960 logG= -0.029021 Density= 0.214300 ETOT(band)= -0.234105 trlgG= -0.293937 logG= -0.029021 TDE= -0.171057 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 Density= 0.080815 ETOT(band)= -0.087651 trlgG= -0.110373 logG= -0.007213 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005856 logG= -0.007125 Density= 0.080633 ETOT(band)= -0.087616 trlgG= -0.110176 logG= -0.007125 TDE= -0.042810 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024004 logG= -0.029212 logGD-logG0= -0.001272 tlogG= -0.005984 logG= -0.007256 Density= 0.081043 ETOT(band)= -0.087554 trlgG= -0.110427 logG= -0.007256 TDE= -0.042895 Density= 0.215642 ETOT(band)= -0.233866 trlgG= -0.294851 logG= -0.029212 TDE= -0.171572 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023959 logG= -0.029124 Density= 0.216342 ETOT(band)= -0.233244 trlgG= -0.294144 logG= -0.029124 TDE= -0.171562 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.023802 logG= -0.029044 logGD-logG0= -0.005172 tlogG= -0.024002 logG= -0.029174 Density= 0.216308 ETOT(band)= -0.233348 trlgG= -0.294376 logG= -0.029174 TDE= -0.171589 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215292 ETOT(band)= -0.233772 trlgG= -0.294196 logG= -0.029044 TDE= -0.171419 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023486 logG= -0.028721 Density= 0.215173 ETOT(band)= -0.233337 trlgG= -0.292933 logG= -0.028721 TDE= -0.171162 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005398 tlogG= -0.023687 logG= -0.029085 Density= 0.215364 ETOT(band)= -0.233621 trlgG= -0.293881 logG= -0.029085 TDE= -0.171250 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023848 logG= -0.028907 Density= 0.215453 ETOT(band)= -0.233768 trlgG= -0.294300 logG= -0.028907 TDE= -0.171107 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009416 tlogG= -0.046719 logG= -0.056135 Density= 0.427815 ETOT(band)= -0.466151 trlgG= -0.581894 logG= -0.056135 TDE= -0.341207 logGD-logG0= -0.005028 tlogG= -0.024165 logG= -0.029193 Density= 0.322378 ETOT(band)= -0.351235 trlgG= -0.442055 logG= -0.029193 TDE= -0.171225 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004667 tlogG= -0.023370 logG= -0.028038 Density= 0.321577 ETOT(band)= -0.350074 trlgG= -0.438799 logG= -0.028038 TDE= -0.170894 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.024160 logG= -0.029162 Density= 0.214700 ETOT(band)= -0.234177 trlgG= -0.294553 logG= -0.029162 TDE= -0.171230 logGD-logG0= -0.010373 tlogG= -0.047792 logG= -0.058165 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324281 ETOT(band)= -0.349928 trlgG= -0.441062 logG= -0.058165 TDE= -0.343018 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009616 tlogG= -0.047657 logG= -0.057273 logGD-logG0= -0.005302 tlogG= -0.024125 logG= -0.029426 Density= 0.215675 ETOT(band)= -0.234022 trlgG= -0.295266 logG= -0.029426 TDE= -0.171604 Density= 0.426599 ETOT(band)= -0.468389 trlgG= -0.587026 logG= -0.057273 TDE= -0.341784 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022443 logG= -0.027544 Density= 0.216324 ETOT(band)= -0.231295 trlgG= -0.288630 logG= -0.027544 TDE= -0.170561 logGD-logG0= -0.009570 tlogG= -0.047776 logG= -0.057346 Density= 0.427101 ETOT(band)= -0.467939 trlgG= -0.585879 logG= -0.057346 TDE= -0.341486 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005172 logG= -0.006354 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062529 ETOT(band)= -0.067548 trlgG= -0.084215 logG= -0.006354 TDE= -0.042358 logGD-logG0= -0.001576 tlogG= -0.006875 logG= -0.008451 Density= 0.040838 ETOT(band)= -0.042675 trlgG= -0.052803 logG= -0.008451 TDE= -0.056461 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010143 tlogG= -0.045636 logG= -0.055779 Density= 0.323978 ETOT(band)= -0.347961 trlgG= -0.435008 logG= -0.055779 TDE= -0.341445 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.047241 logG= -0.057660 logGD-logG0= -0.005185 tlogG= -0.023765 logG= -0.028950 logGD-logG0= -0.004417 tlogG= -0.023743 logG= -0.028160 Density= 0.213051 ETOT(band)= -0.233597 trlgG= -0.291788 logG= -0.028160 TDE= -0.170773 Density= 0.324064 ETOT(band)= -0.349560 trlgG= -0.439713 logG= -0.057660 TDE= -0.342626 Density= 0.216232 ETOT(band)= -0.233046 trlgG= -0.293439 logG= -0.028950 TDE= -0.171421 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023589 logG= -0.028062 Density= 0.212584 ETOT(band)= -0.234004 trlgG= -0.292762 logG= -0.028062 TDE= -0.170688 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005013 tlogG= -0.023248 logG= -0.028260 Density= 0.321643 ETOT(band)= -0.350581 trlgG= -0.439651 logG= -0.028260 TDE= -0.170849 logGD-logG0= -0.009650 tlogG= -0.046611 logG= -0.056261 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322643 ETOT(band)= -0.349029 trlgG= -0.436441 logG= -0.056261 TDE= -0.341598 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.024010 logG= -0.028733 logGD-logG0= -0.004756 tlogG= -0.024009 logG= -0.028765 logGD-logG0= -0.004587 tlogG= -0.023893 logG= -0.028480 Density= 0.214082 ETOT(band)= -0.234095 trlgG= -0.294154 logG= -0.028733 TDE= -0.171224 Density= 0.321507 ETOT(band)= -0.351122 trlgG= -0.441376 logG= -0.028765 TDE= -0.171219 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023247 logG= -0.028014 Density= 0.213462 ETOT(band)= -0.233625 trlgG= -0.292248 logG= -0.028014 TDE= -0.170738 logGD-logG0= -0.005350 tlogG= -0.023901 logG= -0.029251 logGD-logG0= -0.010657 tlogG= -0.048046 logG= -0.058704 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323183 ETOT(band)= -0.350999 trlgG= -0.442404 logG= -0.058704 TDE= -0.343010 Density= 0.213245 ETOT(band)= -0.233872 trlgG= -0.292517 logG= -0.028480 TDE= -0.170777 Density= 0.215602 ETOT(band)= -0.233769 trlgG= -0.294579 logG= -0.029251 TDE= -0.171427 logGD-logG0= -0.005163 tlogG= -0.022971 logG= -0.028134 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023839 logG= -0.028657 Density= 0.213536 ETOT(band)= -0.234158 trlgG= -0.293765 logG= -0.028657 TDE= -0.171042 Density= 0.216180 ETOT(band)= -0.232093 trlgG= -0.290615 logG= -0.028134 TDE= -0.170895 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.023960 logG= -0.029295 logGD-logG0= -0.005153 tlogG= -0.023198 logG= -0.028351 Density= 0.214826 ETOT(band)= -0.232965 trlgG= -0.291246 logG= -0.028351 TDE= -0.170613 Density= 0.323594 ETOT(band)= -0.350672 trlgG= -0.442149 logG= -0.029295 TDE= -0.171476 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.046421 logG= -0.056837 Density= 0.323930 ETOT(band)= -0.348904 trlgG= -0.437627 logG= -0.056837 TDE= -0.342069 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008926 tlogG= -0.048101 logG= -0.057027 Density= 0.425464 ETOT(band)= -0.468362 trlgG= -0.586507 logG= -0.057027 TDE= -0.341766 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010111 tlogG= -0.048154 logG= -0.058265 Density= 0.429219 ETOT(band)= -0.468287 trlgG= -0.588667 logG= -0.058265 TDE= -0.342300 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.047674 logG= -0.057896 logGD-logG0= -0.010454 tlogG= -0.048077 logG= -0.058531 logGD-logG0= -0.010280 tlogG= -0.047963 logG= -0.058242 Density= 0.429123 ETOT(band)= -0.468249 trlgG= -0.588312 logG= -0.058242 TDE= -0.342140 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428212 ETOT(band)= -0.468160 trlgG= -0.587227 logG= -0.057896 TDE= -0.341894 Density= 0.430060 ETOT(band)= -0.468121 trlgG= -0.589107 logG= -0.058531 TDE= -0.342640 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009608 tlogG= -0.047845 logG= -0.057453 Density= 0.427960 ETOT(band)= -0.468175 trlgG= -0.587894 logG= -0.057453 TDE= -0.342253 logGD-logG0= -0.005232 tlogG= -0.024087 logG= -0.029319 Density= 0.322998 ETOT(band)= -0.351207 trlgG= -0.442706 logG= -0.029319 TDE= -0.171417 logGD-logG0= -0.001567 tlogG= -0.007589 logG= -0.009156 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071483 ETOT(band)= -0.077351 trlgG= -0.096164 logG= -0.009156 TDE= -0.056735 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010726 tlogG= -0.047699 logG= -0.058424 Density= 0.431004 ETOT(band)= -0.467488 trlgG= -0.588755 logG= -0.058424 TDE= -0.342763 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047736 logG= -0.058358 Density= 0.430665 ETOT(band)= -0.467545 trlgG= -0.588395 logG= -0.058358 TDE= -0.342657 logGD-logG0= -0.004891 tlogG= -0.021305 logG= -0.026195 logGD-logG0= -0.009783 tlogG= -0.047859 logG= -0.057643 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429056 ETOT(band)= -0.467951 trlgG= -0.587868 logG= -0.057643 TDE= -0.342240 Density= 0.162612 ETOT(band)= -0.172994 trlgG= -0.215938 logG= -0.026195 TDE= -0.169876 logGD-logG0= -0.009470 tlogG= -0.046613 logG= -0.056083 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428020 ETOT(band)= -0.466872 trlgG= -0.584501 logG= -0.056083 TDE= -0.341623 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046937 logG= -0.057220 Density= 0.429796 ETOT(band)= -0.466495 trlgG= -0.584270 logG= -0.057220 TDE= -0.341608 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010650 tlogG= -0.048024 logG= -0.058673 Density= 0.431244 ETOT(band)= -0.467770 trlgG= -0.589748 logG= -0.058673 TDE= -0.343028 logGD-logG0= -0.010244 tlogG= -0.048228 logG= -0.058471 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429954 ETOT(band)= -0.468291 trlgG= -0.589435 logG= -0.058471 TDE= -0.342514 logGD-logG0= -0.009964 tlogG= -0.047565 logG= -0.057529 Density= 0.428529 ETOT(band)= -0.467503 trlgG= -0.586266 logG= -0.057529 TDE= -0.341939 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047275 logG= -0.057956 Density= 0.430395 ETOT(band)= -0.467121 trlgG= -0.586923 logG= -0.057956 TDE= -0.342273 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009899 tlogG= -0.046406 logG= -0.056305 Density= 0.429449 ETOT(band)= -0.465580 trlgG= -0.581571 logG= -0.056305 TDE= -0.341318 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.022330 logG= -0.027149 logGD-logG0= -0.010207 tlogG= -0.047576 logG= -0.057783 Density= 0.322809 ETOT(band)= -0.347998 trlgG= -0.434052 logG= -0.027149 TDE= -0.170242 Density= 0.429926 ETOT(band)= -0.467142 trlgG= -0.586199 logG= -0.057783 TDE= -0.342053 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009934 tlogG= -0.044629 logG= -0.054563 Density= 0.324219 ETOT(band)= -0.346691 trlgG= -0.431998 logG= -0.054563 TDE= -0.340767 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081539 ETOT(band)= -0.085691 trlgG= -0.106221 logG= -0.006509 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006689 Density= 0.081182 ETOT(band)= -0.086359 trlgG= -0.107381 logG= -0.006689 TDE= -0.042571 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004778 tlogG= -0.022330 logG= -0.027108 Density= 0.214986 ETOT(band)= -0.231964 trlgG= -0.289116 logG= -0.027108 TDE= -0.170248 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009783 tlogG= -0.044631 logG= -0.054415 Density= 0.431517 ETOT(band)= -0.462106 trlgG= -0.574793 logG= -0.054415 TDE= -0.340404 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021209 logG= -0.026141 Density= 0.216299 ETOT(band)= -0.230050 trlgG= -0.285566 logG= -0.026141 TDE= -0.169796 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.834434006022 eV TrLogG= -407.277213460033 eV Ratio to renormalize= 1.000223833577 rho-rho_expected=-0.004923236700 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 94 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964613262885966 0.940335389579317 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008045 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039077 trlgG= -0.048973 logG= -0.009447 TDE= -0.056999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002320 tlogG= -0.011885 logG= -0.014205 Density= 0.053552 ETOT(band)= -0.058402 trlgG= -0.073269 logG= -0.014205 TDE= -0.085564 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012034 logG= -0.014631 Density= 0.053752 ETOT(band)= -0.058535 trlgG= -0.073689 logG= -0.014631 TDE= -0.085657 logGD-logG0= -0.001482 tlogG= -0.007812 logG= -0.009295 Density= 0.035486 ETOT(band)= -0.038926 trlgG= -0.048609 logG= -0.009295 TDE= -0.056875 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004338 tlogG= -0.023977 logG= -0.028315 Density= 0.106152 ETOT(band)= -0.117124 trlgG= -0.146681 logG= -0.028315 TDE= -0.170895 logGD-logG0= -0.002415 tlogG= -0.012084 logG= -0.014499 logGD-logG0= -0.002327 tlogG= -0.011450 logG= -0.013776 Density= 0.053574 ETOT(band)= -0.058546 trlgG= -0.073631 logG= -0.014499 TDE= -0.085643 Density= 0.053726 ETOT(band)= -0.058072 trlgG= -0.072505 logG= -0.013776 TDE= -0.085315 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023209 logG= -0.027820 Density= 0.106717 ETOT(band)= -0.116625 trlgG= -0.145475 logG= -0.027820 TDE= -0.170464 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.022412 logG= -0.027413 logGD-logG0= -0.004698 tlogG= -0.022993 logG= -0.027691 Density= 0.106852 ETOT(band)= -0.116494 trlgG= -0.145213 logG= -0.027691 TDE= -0.170398 Density= 0.107612 ETOT(band)= -0.115967 trlgG= -0.144452 logG= -0.027413 TDE= -0.170291 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.024054 logG= -0.028365 Density= 0.106100 ETOT(band)= -0.117168 trlgG= -0.146794 logG= -0.028365 TDE= -0.170933 logGD-logG0= -0.002553 tlogG= -0.011986 logG= -0.014539 logGD-logG0= -0.005126 tlogG= -0.023954 logG= -0.029080 Density= 0.108204 ETOT(band)= -0.116619 trlgG= -0.147109 logG= -0.029080 TDE= -0.171574 Density= 0.054125 ETOT(band)= -0.058297 trlgG= -0.073553 logG= -0.014539 TDE= -0.085798 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023434 logG= -0.028568 Density= 0.108107 ETOT(band)= -0.116383 trlgG= -0.146295 logG= -0.028568 TDE= -0.171223 logGD-logG0= -0.005268 tlogG= -0.024075 logG= -0.029343 Density= 0.107621 ETOT(band)= -0.117072 trlgG= -0.147523 logG= -0.029343 TDE= -0.171436 logGD-logG0= -0.004534 tlogG= -0.024049 logG= -0.028583 logGD-logG0= -0.005024 tlogG= -0.022461 logG= -0.027485 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108180 ETOT(band)= -0.115739 trlgG= -0.144573 logG= -0.027485 TDE= -0.170621 Density= 0.106370 ETOT(band)= -0.117156 trlgG= -0.146803 logG= -0.028583 TDE= -0.170858 logGD-logG0= -0.005139 tlogG= -0.023767 logG= -0.028906 Density= 0.108154 ETOT(band)= -0.116544 trlgG= -0.146831 logG= -0.028906 TDE= -0.171444 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022174 logG= -0.027115 Density= 0.108335 ETOT(band)= -0.115433 trlgG= -0.143965 logG= -0.027115 TDE= -0.170460 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023503 logG= -0.028227 Density= 0.106754 ETOT(band)= -0.116816 trlgG= -0.145959 logG= -0.028227 TDE= -0.170560 logGD-logG0= -0.002622 tlogG= -0.011990 logG= -0.014612 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053971 ETOT(band)= -0.058418 trlgG= -0.073673 logG= -0.014612 TDE= -0.085769 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004983 tlogG= -0.024096 logG= -0.029079 logGD-logG0= -0.005092 tlogG= -0.022986 logG= -0.028078 logGD-logG0= -0.004852 tlogG= -0.022853 logG= -0.027705 Density= 0.107726 ETOT(band)= -0.116095 trlgG= -0.144936 logG= -0.027705 TDE= -0.170538 Density= 0.107359 ETOT(band)= -0.117036 trlgG= -0.147145 logG= -0.029079 TDE= -0.171192 Density= 0.108112 ETOT(band)= -0.116112 trlgG= -0.145520 logG= -0.028078 TDE= -0.170941 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005085 tlogG= -0.023220 logG= -0.028305 logGD-logG0= -0.005277 tlogG= -0.024091 logG= -0.029368 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024137 logG= -0.029447 Density= 0.107789 ETOT(band)= -0.117067 trlgG= -0.147712 logG= -0.029447 TDE= -0.171604 Density= 0.107865 ETOT(band)= -0.116979 trlgG= -0.147587 logG= -0.029368 TDE= -0.171596 Density= 0.108170 ETOT(band)= -0.116206 trlgG= -0.145876 logG= -0.028305 TDE= -0.171100 logGD-logG0= -0.005116 tlogG= -0.023609 logG= -0.028725 Density= 0.108179 ETOT(band)= -0.116429 trlgG= -0.146540 logG= -0.028725 TDE= -0.171347 logGD-logG0= -0.005300 tlogG= -0.023906 logG= -0.029206 logGD-logG0= -0.005219 tlogG= -0.023971 logG= -0.029189 Density= 0.107423 ETOT(band)= -0.117058 trlgG= -0.147250 logG= -0.029189 TDE= -0.171218 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107729 ETOT(band)= -0.116938 trlgG= -0.147308 logG= -0.029206 TDE= -0.171411 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023875 logG= -0.028988 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023687 logG= -0.028963 Density= 0.107211 ETOT(band)= -0.117006 trlgG= -0.146854 logG= -0.028963 TDE= -0.170944 logGD-logG0= -0.005019 tlogG= -0.022738 logG= -0.027757 Density= 0.108225 ETOT(band)= -0.115876 trlgG= -0.145009 logG= -0.027757 TDE= -0.170807 Density= 0.108225 ETOT(band)= -0.116555 trlgG= -0.146961 logG= -0.028988 TDE= -0.171527 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023647 logG= -0.028634 Density= 0.106958 ETOT(band)= -0.116934 trlgG= -0.146303 logG= -0.028634 TDE= -0.170598 logGD-logG0= -0.004669 tlogG= -0.023672 logG= -0.028341 Density= 0.106579 ETOT(band)= -0.116962 trlgG= -0.146388 logG= -0.028341 TDE= -0.170788 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004698 tlogG= -0.023690 logG= -0.028388 Density= 0.106956 ETOT(band)= -0.116845 trlgG= -0.146493 logG= -0.028388 TDE= -0.171033 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023692 logG= -0.028511 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107358 ETOT(band)= -0.116726 trlgG= -0.146403 logG= -0.028511 TDE= -0.171018 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.022879 logG= -0.027979 Density= 0.107594 ETOT(band)= -0.116300 trlgG= -0.145348 logG= -0.027979 TDE= -0.170612 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.024072 logG= -0.028943 Density= 0.107036 ETOT(band)= -0.117098 trlgG= -0.147170 logG= -0.028943 TDE= -0.171195 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004893 tlogG= -0.023897 logG= -0.028789 Density= 0.106738 ETOT(band)= -0.117117 trlgG= -0.146916 logG= -0.028789 TDE= -0.170946 logGD-logG0= -0.005263 tlogG= -0.023874 logG= -0.029137 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107892 ETOT(band)= -0.116806 trlgG= -0.147202 logG= -0.029137 TDE= -0.171456 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004729 tlogG= -0.022856 logG= -0.027585 Density= 0.107276 ETOT(band)= -0.116240 trlgG= -0.145061 logG= -0.027585 TDE= -0.170562 logGD-logG0= -0.005301 tlogG= -0.023583 logG= -0.028884 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107777 ETOT(band)= -0.116710 trlgG= -0.146787 logG= -0.028884 TDE= -0.171237 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001620 tlogG= -0.006993 logG= -0.008613 Density= 0.036188 ETOT(band)= -0.038128 trlgG= -0.047252 logG= -0.008613 TDE= -0.056547 logGD-logG0= -0.005291 tlogG= -0.023200 logG= -0.028491 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009762 tlogG= -0.048251 logG= -0.058013 Density= 0.214362 ETOT(band)= -0.234154 trlgG= -0.294416 logG= -0.058013 TDE= -0.342479 Density= 0.107661 ETOT(band)= -0.116548 trlgG= -0.146158 logG= -0.028491 TDE= -0.170943 logGD-logG0= -0.001686 tlogG= -0.007306 logG= -0.008992 Density= 0.035836 ETOT(band)= -0.038577 trlgG= -0.047913 logG= -0.008992 TDE= -0.056655 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.024062 logG= -0.029314 logGD-logG0= -0.009448 tlogG= -0.045768 logG= -0.055216 Density= 0.214976 ETOT(band)= -0.232314 trlgG= -0.290025 logG= -0.055216 TDE= -0.341189 logGD-logG0= -0.009728 tlogG= -0.045598 logG= -0.055326 Density= 0.214323 ETOT(band)= -0.232664 trlgG= -0.290202 logG= -0.055326 TDE= -0.340934 Density= 0.107924 ETOT(band)= -0.116912 trlgG= -0.147499 logG= -0.029314 TDE= -0.171591 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009516 tlogG= -0.047938 logG= -0.057454 Density= 0.213236 ETOT(band)= -0.234257 trlgG= -0.293554 logG= -0.057454 TDE= -0.341620 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009629 tlogG= -0.047167 logG= -0.056795 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213729 ETOT(band)= -0.233748 trlgG= -0.292839 logG= -0.056795 TDE= -0.341808 logGD-logG0= -0.009087 tlogG= -0.047638 logG= -0.056725 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009908 tlogG= -0.047908 logG= -0.057816 Density= 0.212890 ETOT(band)= -0.234048 trlgG= -0.292909 logG= -0.056725 TDE= -0.341533 logGD-logG0= -0.010484 tlogG= -0.047755 logG= -0.058239 Density= 0.214716 ETOT(band)= -0.234079 trlgG= -0.294252 logG= -0.058239 TDE= -0.342265 Density= 0.213930 ETOT(band)= -0.234193 trlgG= -0.294104 logG= -0.057816 TDE= -0.342151 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010439 tlogG= -0.048089 logG= -0.058528 Density= 0.215029 ETOT(band)= -0.234132 trlgG= -0.294763 logG= -0.058528 TDE= -0.342642 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.047163 logG= -0.056952 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213739 ETOT(band)= -0.233793 trlgG= -0.292632 logG= -0.056952 TDE= -0.341449 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010287 tlogG= -0.047988 logG= -0.058275 logGD-logG0= -0.010348 tlogG= -0.047795 logG= -0.058143 Density= 0.214615 ETOT(band)= -0.234072 trlgG= -0.294082 logG= -0.058143 TDE= -0.342142 Density= 0.215032 ETOT(band)= -0.233987 trlgG= -0.294346 logG= -0.058275 TDE= -0.342480 logGD-logG0= -0.004890 tlogG= -0.021568 logG= -0.026458 Density= 0.108489 ETOT(band)= -0.114883 trlgG= -0.142837 logG= -0.026458 TDE= -0.170064 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009832 tlogG= -0.045657 logG= -0.055490 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215107 ETOT(band)= -0.232390 trlgG= -0.290017 logG= -0.055490 TDE= -0.340973 logGD-logG0= -0.010032 tlogG= -0.048037 logG= -0.058068 logGD-logG0= -0.010520 tlogG= -0.048023 logG= -0.058543 Density= 0.214492 ETOT(band)= -0.234101 trlgG= -0.294165 logG= -0.058068 TDE= -0.342238 Density= 0.215065 ETOT(band)= -0.234123 trlgG= -0.294790 logG= -0.058543 TDE= -0.342672 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010577 tlogG= -0.047536 logG= -0.058113 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215656 ETOT(band)= -0.233579 trlgG= -0.294136 logG= -0.058113 TDE= -0.342740 logGD-logG0= -0.010148 tlogG= -0.047668 logG= -0.057817 Density= 0.213911 ETOT(band)= -0.234180 trlgG= -0.293856 logG= -0.057817 TDE= -0.341893 logGD-logG0= -0.010502 tlogG= -0.047949 logG= -0.058451 Density= 0.215851 ETOT(band)= -0.233695 trlgG= -0.294699 logG= -0.058451 TDE= -0.343061 logGD-logG0= -0.004809 tlogG= -0.020993 logG= -0.025802 Density= 0.108685 ETOT(band)= -0.114295 trlgG= -0.141680 logG= -0.025802 TDE= -0.169661 logGD-logG0= -0.010375 tlogG= -0.047317 logG= -0.057692 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009401 tlogG= -0.047455 logG= -0.056856 Density= 0.214272 ETOT(band)= -0.233578 trlgG= -0.292970 logG= -0.056856 TDE= -0.342147 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002457 tlogG= -0.010843 logG= -0.013299 Density= 0.214222 ETOT(band)= -0.233973 trlgG= -0.293333 logG= -0.057692 TDE= -0.341649 Density= 0.054051 ETOT(band)= -0.057592 trlgG= -0.071547 logG= -0.013299 TDE= -0.084995 logGD-logG0= -0.010632 tlogG= -0.048154 logG= -0.058787 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215381 ETOT(band)= -0.234149 trlgG= -0.295227 logG= -0.058787 TDE= -0.343022 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010145 tlogG= -0.046421 logG= -0.056566 Density= 0.215173 ETOT(band)= -0.232952 trlgG= -0.291651 logG= -0.056566 TDE= -0.341563 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010542 tlogG= -0.047430 logG= -0.057972 Density= 0.215424 ETOT(band)= -0.233619 trlgG= -0.293895 logG= -0.057972 TDE= -0.342526 logGD-logG0= -0.010584 tlogG= -0.046888 logG= -0.057472 Density= 0.215386 ETOT(band)= -0.233343 trlgG= -0.293095 logG= -0.057472 TDE= -0.342207 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010557 tlogG= -0.047898 logG= -0.058455 Density= 0.215723 ETOT(band)= -0.233768 trlgG= -0.294700 logG= -0.058455 TDE= -0.342996 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009756 tlogG= -0.047232 logG= -0.056988 Density= 0.214437 ETOT(band)= -0.233540 trlgG= -0.292744 logG= -0.056988 TDE= -0.341870 logGD-logG0= -0.010057 tlogG= -0.047160 logG= -0.057218 Density= 0.215109 ETOT(band)= -0.233353 trlgG= -0.292668 logG= -0.057218 TDE= -0.341897 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.021879 logG= -0.026855 Density= 0.108299 ETOT(band)= -0.115250 trlgG= -0.143516 logG= -0.026855 TDE= -0.170253 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005057 tlogG= -0.021822 logG= -0.026878 Density= 0.107766 ETOT(band)= -0.115539 trlgG= -0.143577 logG= -0.026878 TDE= -0.170027 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002396 tlogG= -0.010428 logG= -0.012824 Density= 0.054365 ETOT(band)= -0.057074 trlgG= -0.070701 logG= -0.012824 TDE= -0.084779 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021698 logG= -0.026696 Density= 0.107909 ETOT(band)= -0.115346 trlgG= -0.143268 logG= -0.026696 TDE= -0.169971 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009988 tlogG= -0.043397 logG= -0.053386 Density= 0.216230 ETOT(band)= -0.230482 trlgG= -0.286512 logG= -0.053386 TDE= -0.340128 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004418 tlogG= -0.023743 logG= -0.028161 Density= 0.213051 ETOT(band)= -0.233598 trlgG= -0.291790 logG= -0.028161 TDE= -0.170773 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005172 logG= -0.006355 logGD-logG0= -0.004473 tlogG= -0.023590 logG= -0.028063 Density= 0.212585 ETOT(band)= -0.234005 trlgG= -0.292764 logG= -0.028063 TDE= -0.170689 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062529 ETOT(band)= -0.067548 trlgG= -0.084216 logG= -0.006355 TDE= -0.042358 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001576 tlogG= -0.006875 logG= -0.008451 Density= 0.040838 ETOT(band)= -0.042675 trlgG= -0.052804 logG= -0.008451 TDE= -0.056461 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001428 tlogG= -0.007966 logG= -0.009394 Density= 0.070855 ETOT(band)= -0.077954 trlgG= -0.097461 logG= -0.009394 TDE= -0.056960 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022909 logG= -0.027860 Density= 0.214755 ETOT(band)= -0.232412 trlgG= -0.289718 logG= -0.027860 TDE= -0.170426 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005985 logG= -0.007257 Density= 0.081043 ETOT(band)= -0.087554 trlgG= -0.110428 logG= -0.007257 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 Density= 0.080815 ETOT(band)= -0.087651 trlgG= -0.110374 logG= -0.007213 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080621 ETOT(band)= -0.087401 trlgG= -0.109622 logG= -0.007003 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005620 logG= -0.006854 Density= 0.080821 ETOT(band)= -0.086972 trlgG= -0.108619 logG= -0.006854 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004587 tlogG= -0.023893 logG= -0.028481 Density= 0.213245 ETOT(band)= -0.233873 trlgG= -0.292520 logG= -0.028481 TDE= -0.170777 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024005 logG= -0.029213 Density= 0.215642 ETOT(band)= -0.233868 trlgG= -0.294854 logG= -0.029213 TDE= -0.171572 logGD-logG0= -0.001269 tlogG= -0.005856 logG= -0.007125 Density= 0.080633 ETOT(band)= -0.087616 trlgG= -0.110177 logG= -0.007125 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.023803 logG= -0.029045 Density= 0.215291 ETOT(band)= -0.233774 trlgG= -0.294199 logG= -0.029045 TDE= -0.171420 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004285 tlogG= -0.024135 logG= -0.028419 logGD-logG0= -0.005172 tlogG= -0.024003 logG= -0.029175 Density= 0.216308 ETOT(band)= -0.233350 trlgG= -0.294379 logG= -0.029175 TDE= -0.171590 Density= 0.212139 ETOT(band)= -0.234386 trlgG= -0.293712 logG= -0.028419 TDE= -0.170971 logGD-logG0= -0.005165 tlogG= -0.023960 logG= -0.029125 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005350 tlogG= -0.023902 logG= -0.029251 Density= 0.215601 ETOT(band)= -0.233770 trlgG= -0.294582 logG= -0.029251 TDE= -0.171428 Density= 0.216342 ETOT(band)= -0.233246 trlgG= -0.294147 logG= -0.029125 TDE= -0.171563 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001567 tlogG= -0.007589 logG= -0.009156 Density= 0.071483 ETOT(band)= -0.077352 trlgG= -0.096165 logG= -0.009156 TDE= -0.056735 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023486 logG= -0.028722 Density= 0.215173 ETOT(band)= -0.233339 trlgG= -0.292936 logG= -0.028722 TDE= -0.171163 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.022296 logG= -0.027228 Density= 0.214220 ETOT(band)= -0.232454 trlgG= -0.289471 logG= -0.027228 TDE= -0.170162 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005398 tlogG= -0.023688 logG= -0.029086 Density= 0.215364 ETOT(band)= -0.233623 trlgG= -0.293884 logG= -0.029086 TDE= -0.171251 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024166 logG= -0.029193 logGD-logG0= -0.004756 tlogG= -0.024009 logG= -0.028765 Density= 0.321507 ETOT(band)= -0.351124 trlgG= -0.441380 logG= -0.028765 TDE= -0.171220 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322378 ETOT(band)= -0.351238 trlgG= -0.442060 logG= -0.029193 TDE= -0.171226 logGD-logG0= -0.005302 tlogG= -0.024125 logG= -0.029427 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215675 ETOT(band)= -0.234023 trlgG= -0.295269 logG= -0.029427 TDE= -0.171604 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009416 tlogG= -0.046720 logG= -0.056136 Density= 0.427815 ETOT(band)= -0.466154 trlgG= -0.581900 logG= -0.056136 TDE= -0.341208 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004562 tlogG= -0.023976 logG= -0.028538 logGD-logG0= -0.005191 tlogG= -0.023419 logG= -0.028610 Density= 0.216152 ETOT(band)= -0.232668 trlgG= -0.292235 logG= -0.028610 TDE= -0.171183 Density= 0.212774 ETOT(band)= -0.234283 trlgG= -0.293513 logG= -0.028538 TDE= -0.170825 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023849 logG= -0.028907 Density= 0.215452 ETOT(band)= -0.233769 trlgG= -0.294303 logG= -0.028907 TDE= -0.171108 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.022443 logG= -0.027545 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023960 logG= -0.029022 Density= 0.214300 ETOT(band)= -0.234106 trlgG= -0.293940 logG= -0.029022 TDE= -0.171058 logGD-logG0= -0.005002 tlogG= -0.024160 logG= -0.029162 Density= 0.214700 ETOT(band)= -0.234178 trlgG= -0.294556 logG= -0.029162 TDE= -0.171230 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216324 ETOT(band)= -0.231297 trlgG= -0.288634 logG= -0.027545 TDE= -0.170562 logGD-logG0= -0.005163 tlogG= -0.022972 logG= -0.028135 Density= 0.216180 ETOT(band)= -0.232094 trlgG= -0.290619 logG= -0.028135 TDE= -0.170896 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010658 tlogG= -0.048048 logG= -0.058705 logGD-logG0= -0.005232 tlogG= -0.024088 logG= -0.029320 Density= 0.323182 ETOT(band)= -0.351002 trlgG= -0.442408 logG= -0.058705 TDE= -0.343012 Density= 0.322998 ETOT(band)= -0.351210 trlgG= -0.442711 logG= -0.029320 TDE= -0.171418 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.047243 logG= -0.057662 Density= 0.324064 ETOT(band)= -0.349563 trlgG= -0.439718 logG= -0.057662 TDE= -0.342628 logGD-logG0= -0.010143 tlogG= -0.045638 logG= -0.055781 Density= 0.323978 ETOT(band)= -0.347963 trlgG= -0.435013 logG= -0.055781 TDE= -0.341447 logGD-logG0= -0.005185 tlogG= -0.023766 logG= -0.028950 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216232 ETOT(band)= -0.233048 trlgG= -0.293442 logG= -0.028950 TDE= -0.171422 logGD-logG0= -0.010373 tlogG= -0.047794 logG= -0.058167 Density= 0.324281 ETOT(band)= -0.349930 trlgG= -0.441067 logG= -0.058167 TDE= -0.343019 logGD-logG0= -0.004901 tlogG= -0.023886 logG= -0.028787 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213750 ETOT(band)= -0.234021 trlgG= -0.293032 logG= -0.028787 TDE= -0.170787 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009650 tlogG= -0.046612 logG= -0.056263 Density= 0.322643 ETOT(band)= -0.349031 trlgG= -0.436445 logG= -0.056263 TDE= -0.341599 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.023248 logG= -0.028015 Density= 0.213462 ETOT(band)= -0.233626 trlgG= -0.292251 logG= -0.028015 TDE= -0.170739 logGD-logG0= -0.004723 tlogG= -0.024010 logG= -0.028734 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.023961 logG= -0.029295 logGD-logG0= -0.009571 tlogG= -0.047777 logG= -0.057348 Density= 0.214082 ETOT(band)= -0.234097 trlgG= -0.294157 logG= -0.028734 TDE= -0.171224 logGD-logG0= -0.005013 tlogG= -0.023248 logG= -0.028261 Density= 0.323594 ETOT(band)= -0.350675 trlgG= -0.442154 logG= -0.029295 TDE= -0.171477 Density= 0.427101 ETOT(band)= -0.467942 trlgG= -0.585885 logG= -0.057348 TDE= -0.341487 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321643 ETOT(band)= -0.350583 trlgG= -0.439656 logG= -0.028261 TDE= -0.170849 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004636 tlogG= -0.023374 logG= -0.028010 Density= 0.214145 ETOT(band)= -0.233384 trlgG= -0.292364 logG= -0.028010 TDE= -0.170903 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.046422 logG= -0.056839 Density= 0.323930 ETOT(band)= -0.348907 trlgG= -0.437632 logG= -0.056839 TDE= -0.342070 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023840 logG= -0.028658 Density= 0.213536 ETOT(band)= -0.234159 trlgG= -0.293768 logG= -0.028658 TDE= -0.171043 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023198 logG= -0.028352 logGD-logG0= -0.004667 tlogG= -0.023371 logG= -0.028038 logGD-logG0= -0.005063 tlogG= -0.021884 logG= -0.026947 Density= 0.214826 ETOT(band)= -0.232966 trlgG= -0.291249 logG= -0.028352 TDE= -0.170613 Density= 0.321577 ETOT(band)= -0.350076 trlgG= -0.438803 logG= -0.028038 TDE= -0.170895 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216579 ETOT(band)= -0.230299 trlgG= -0.286517 logG= -0.026947 TDE= -0.170222 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010111 tlogG= -0.048156 logG= -0.058267 Density= 0.429219 ETOT(band)= -0.468290 trlgG= -0.588673 logG= -0.058267 TDE= -0.342301 logGD-logG0= -0.008926 tlogG= -0.048103 logG= -0.057029 Density= 0.425465 ETOT(band)= -0.468365 trlgG= -0.586512 logG= -0.057029 TDE= -0.341767 logGD-logG0= -0.009608 tlogG= -0.047846 logG= -0.057455 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427960 ETOT(band)= -0.468178 trlgG= -0.587900 logG= -0.057455 TDE= -0.342254 logGD-logG0= -0.010280 tlogG= -0.047964 logG= -0.058244 Density= 0.429123 ETOT(band)= -0.468252 trlgG= -0.588318 logG= -0.058244 TDE= -0.342141 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007118 logG= -0.008806 Density= 0.072214 ETOT(band)= -0.076484 trlgG= -0.094852 logG= -0.008806 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009617 tlogG= -0.047658 logG= -0.057275 Density= 0.426599 ETOT(band)= -0.468392 trlgG= -0.587032 logG= -0.057275 TDE= -0.341785 logGD-logG0= -0.010454 tlogG= -0.048079 logG= -0.058533 Density= 0.430060 ETOT(band)= -0.468124 trlgG= -0.589114 logG= -0.058533 TDE= -0.342641 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.021305 logG= -0.026196 Density= 0.162612 ETOT(band)= -0.172995 trlgG= -0.215941 logG= -0.026196 TDE= -0.169877 logGD-logG0= -0.010222 tlogG= -0.047676 logG= -0.057897 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428212 ETOT(band)= -0.468162 trlgG= -0.587233 logG= -0.057897 TDE= -0.341895 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010244 tlogG= -0.048229 logG= -0.058473 logGD-logG0= -0.004974 tlogG= -0.021355 logG= -0.026329 Density= 0.216971 ETOT(band)= -0.229191 trlgG= -0.284313 logG= -0.026329 TDE= -0.169890 Density= 0.429953 ETOT(band)= -0.468294 trlgG= -0.589441 logG= -0.058473 TDE= -0.342516 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010726 tlogG= -0.047700 logG= -0.058426 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431004 ETOT(band)= -0.467491 trlgG= -0.588762 logG= -0.058426 TDE= -0.342765 logGD-logG0= -0.009935 tlogG= -0.044630 logG= -0.054565 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047737 logG= -0.058359 logGD-logG0= -0.009470 tlogG= -0.046615 logG= -0.056085 Density= 0.428020 ETOT(band)= -0.466875 trlgG= -0.584506 logG= -0.056085 TDE= -0.341624 Density= 0.430664 ETOT(band)= -0.467548 trlgG= -0.588401 logG= -0.058359 TDE= -0.342658 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324218 ETOT(band)= -0.346694 trlgG= -0.432002 logG= -0.054565 TDE= -0.340769 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009784 tlogG= -0.047861 logG= -0.057644 Density= 0.429056 ETOT(band)= -0.467954 trlgG= -0.587874 logG= -0.057644 TDE= -0.342241 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009899 tlogG= -0.046408 logG= -0.056307 Density= 0.429449 ETOT(band)= -0.465583 trlgG= -0.581577 logG= -0.056307 TDE= -0.341320 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.046938 logG= -0.057221 Density= 0.429796 ETOT(band)= -0.466498 trlgG= -0.584276 logG= -0.057221 TDE= -0.341610 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.022477 logG= -0.027378 Density= 0.214980 ETOT(band)= -0.231677 trlgG= -0.288075 logG= -0.027378 TDE= -0.170175 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010650 tlogG= -0.048025 logG= -0.058675 Density= 0.431244 ETOT(band)= -0.467773 trlgG= -0.589754 logG= -0.058675 TDE= -0.343030 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010682 tlogG= -0.047276 logG= -0.057958 Density= 0.430395 ETOT(band)= -0.467124 trlgG= -0.586930 logG= -0.057958 TDE= -0.342274 logGD-logG0= -0.004819 tlogG= -0.022331 logG= -0.027150 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322809 ETOT(band)= -0.348000 trlgG= -0.434056 logG= -0.027150 TDE= -0.170243 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005419 tlogG= -0.023359 logG= -0.028778 Density= 0.215065 ETOT(band)= -0.233365 trlgG= -0.292744 logG= -0.028778 TDE= -0.170957 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009965 tlogG= -0.047566 logG= -0.057531 Density= 0.428529 ETOT(band)= -0.467506 trlgG= -0.586272 logG= -0.057531 TDE= -0.341940 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047578 logG= -0.057785 Density= 0.429926 ETOT(band)= -0.467145 trlgG= -0.586205 logG= -0.057785 TDE= -0.342055 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006689 Density= 0.081182 ETOT(band)= -0.086360 trlgG= -0.107382 logG= -0.006689 TDE= -0.042571 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004778 tlogG= -0.022331 logG= -0.027109 Density= 0.214986 ETOT(band)= -0.231965 trlgG= -0.289118 logG= -0.027109 TDE= -0.170248 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081539 ETOT(band)= -0.085691 trlgG= -0.106223 logG= -0.006509 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021210 logG= -0.026142 Density= 0.216299 ETOT(band)= -0.230052 trlgG= -0.285570 logG= -0.026142 TDE= -0.169796 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009784 tlogG= -0.044633 logG= -0.054416 Density= 0.431517 ETOT(band)= -0.462109 trlgG= -0.574799 logG= -0.054416 TDE= -0.340405 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.836488727084 eV TrLogG= -407.281312240941 eV Ratio to renormalize= 1.000224073928 rho-rho_expected=-0.004928522068 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964641022558728 0.940374541040479 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002319 tlogG= -0.011886 logG= -0.014205 Density= 0.053552 ETOT(band)= -0.058404 trlgG= -0.073271 logG= -0.014205 TDE= -0.085566 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023648 logG= -0.028635 Density= 0.106959 ETOT(band)= -0.116937 trlgG= -0.146308 logG= -0.028635 TDE= -0.170602 logGD-logG0= -0.004893 tlogG= -0.023898 logG= -0.028790 Density= 0.106739 ETOT(band)= -0.117120 trlgG= -0.146920 logG= -0.028790 TDE= -0.170950 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023691 logG= -0.028388 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106957 ETOT(band)= -0.116848 trlgG= -0.146498 logG= -0.028388 TDE= -0.171037 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.024074 logG= -0.028944 Density= 0.107038 ETOT(band)= -0.117101 trlgG= -0.147175 logG= -0.028944 TDE= -0.171199 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.023201 logG= -0.028491 Density= 0.107662 ETOT(band)= -0.116551 trlgG= -0.146162 logG= -0.028491 TDE= -0.170947 logGD-logG0= -0.004729 tlogG= -0.022857 logG= -0.027586 Density= 0.107277 ETOT(band)= -0.116243 trlgG= -0.145066 logG= -0.027586 TDE= -0.170566 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010843 logG= -0.013300 Density= 0.054052 ETOT(band)= -0.057594 trlgG= -0.071549 logG= -0.013300 TDE= -0.084997 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007813 logG= -0.009295 Density= 0.035486 ETOT(band)= -0.038927 trlgG= -0.048611 logG= -0.009295 TDE= -0.056877 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008046 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048975 logG= -0.009447 TDE= -0.057000 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011450 logG= -0.013777 Density= 0.053727 ETOT(band)= -0.058073 trlgG= -0.072507 logG= -0.013777 TDE= -0.085317 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002415 tlogG= -0.012084 logG= -0.014499 Density= 0.053575 ETOT(band)= -0.058548 trlgG= -0.073633 logG= -0.014499 TDE= -0.085646 logGD-logG0= -0.004337 tlogG= -0.023979 logG= -0.028316 logGD-logG0= -0.002597 tlogG= -0.012035 logG= -0.014631 logGD-logG0= -0.004310 tlogG= -0.024056 logG= -0.028366 Density= 0.106101 ETOT(band)= -0.117171 trlgG= -0.146799 logG= -0.028366 TDE= -0.170937 Density= 0.053753 ETOT(band)= -0.058537 trlgG= -0.073691 logG= -0.014631 TDE= -0.085659 logGD-logG0= -0.004698 tlogG= -0.022994 logG= -0.027692 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106853 ETOT(band)= -0.116497 trlgG= -0.145217 logG= -0.027692 TDE= -0.170402 Density= 0.106153 ETOT(band)= -0.117128 trlgG= -0.146686 logG= -0.028316 TDE= -0.170899 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023210 logG= -0.027821 logGD-logG0= -0.002553 tlogG= -0.011987 logG= -0.014539 Density= 0.106718 ETOT(band)= -0.116628 trlgG= -0.145479 logG= -0.027821 TDE= -0.170468 Density= 0.054126 ETOT(band)= -0.058299 trlgG= -0.073555 logG= -0.014539 TDE= -0.085800 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022463 logG= -0.027486 Density= 0.108181 ETOT(band)= -0.115742 trlgG= -0.144577 logG= -0.027486 TDE= -0.170625 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022413 logG= -0.027413 logGD-logG0= -0.004534 tlogG= -0.024050 logG= -0.028584 Density= 0.107613 ETOT(band)= -0.115970 trlgG= -0.144456 logG= -0.027413 TDE= -0.170295 Density= 0.106371 ETOT(band)= -0.117160 trlgG= -0.146808 logG= -0.028584 TDE= -0.170862 logGD-logG0= -0.005268 tlogG= -0.024076 logG= -0.029344 logGD-logG0= -0.005125 tlogG= -0.023955 logG= -0.029081 Density= 0.108206 ETOT(band)= -0.116622 trlgG= -0.147114 logG= -0.029081 TDE= -0.171579 Density= 0.107622 ETOT(band)= -0.117075 trlgG= -0.147528 logG= -0.029344 TDE= -0.171441 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004940 tlogG= -0.022175 logG= -0.027115 logGD-logG0= -0.004723 tlogG= -0.023505 logG= -0.028228 Density= 0.106755 ETOT(band)= -0.116819 trlgG= -0.145964 logG= -0.028228 TDE= -0.170564 logGD-logG0= -0.005133 tlogG= -0.023436 logG= -0.028569 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024092 logG= -0.029369 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108108 ETOT(band)= -0.116385 trlgG= -0.146299 logG= -0.028569 TDE= -0.171228 logGD-logG0= -0.005138 tlogG= -0.023769 logG= -0.028907 Density= 0.108155 ETOT(band)= -0.116547 trlgG= -0.146835 logG= -0.028907 TDE= -0.171448 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107866 ETOT(band)= -0.116982 trlgG= -0.147592 logG= -0.029369 TDE= -0.171600 logGD-logG0= -0.004819 tlogG= -0.023693 logG= -0.028512 Density= 0.107359 ETOT(band)= -0.116729 trlgG= -0.146408 logG= -0.028512 TDE= -0.171022 Density= 0.108336 ETOT(band)= -0.115436 trlgG= -0.143969 logG= -0.027115 TDE= -0.170464 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002622 tlogG= -0.011990 logG= -0.014612 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053972 ETOT(band)= -0.058420 trlgG= -0.073675 logG= -0.014612 TDE= -0.085771 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.022988 logG= -0.028079 Density= 0.108113 ETOT(band)= -0.116115 trlgG= -0.145524 logG= -0.028079 TDE= -0.170945 logGD-logG0= -0.005275 tlogG= -0.023689 logG= -0.028964 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107212 ETOT(band)= -0.117009 trlgG= -0.146859 logG= -0.028964 TDE= -0.170948 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023907 logG= -0.029207 logGD-logG0= -0.005084 tlogG= -0.023221 logG= -0.028305 logGD-logG0= -0.005112 tlogG= -0.023877 logG= -0.028989 Density= 0.107731 ETOT(band)= -0.116941 trlgG= -0.147312 logG= -0.029207 TDE= -0.171416 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108226 ETOT(band)= -0.116558 trlgG= -0.146965 logG= -0.028989 TDE= -0.171531 Density= 0.108172 ETOT(band)= -0.116209 trlgG= -0.145880 logG= -0.028305 TDE= -0.171104 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002395 tlogG= -0.010429 logG= -0.012824 Density= 0.054366 ETOT(band)= -0.057076 trlgG= -0.070703 logG= -0.012824 TDE= -0.084781 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022855 logG= -0.027706 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005218 tlogG= -0.023972 logG= -0.029190 Density= 0.107424 ETOT(band)= -0.117061 trlgG= -0.147254 logG= -0.029190 TDE= -0.171223 Density= 0.107727 ETOT(band)= -0.116099 trlgG= -0.144940 logG= -0.027706 TDE= -0.170542 logGD-logG0= -0.005019 tlogG= -0.022739 logG= -0.027758 Density= 0.108226 ETOT(band)= -0.115879 trlgG= -0.145013 logG= -0.027758 TDE= -0.170811 logGD-logG0= -0.005115 tlogG= -0.023610 logG= -0.028725 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023673 logG= -0.028342 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.022880 logG= -0.027979 Density= 0.107595 ETOT(band)= -0.116303 trlgG= -0.145352 logG= -0.027979 TDE= -0.170616 Density= 0.108181 ETOT(band)= -0.116432 trlgG= -0.146544 logG= -0.028725 TDE= -0.171352 Density= 0.106580 ETOT(band)= -0.116965 trlgG= -0.146393 logG= -0.028342 TDE= -0.170792 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.024138 logG= -0.029448 Density= 0.107790 ETOT(band)= -0.117070 trlgG= -0.147717 logG= -0.029448 TDE= -0.171609 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023585 logG= -0.028885 Density= 0.107778 ETOT(band)= -0.116713 trlgG= -0.146792 logG= -0.028885 TDE= -0.171241 logGD-logG0= -0.009761 tlogG= -0.048254 logG= -0.058015 Density= 0.214364 ETOT(band)= -0.234161 trlgG= -0.294424 logG= -0.058015 TDE= -0.342487 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009447 tlogG= -0.045771 logG= -0.055218 Density= 0.214978 ETOT(band)= -0.232320 trlgG= -0.290033 logG= -0.055218 TDE= -0.341197 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009086 tlogG= -0.047641 logG= -0.056727 logGD-logG0= -0.009727 tlogG= -0.045601 logG= -0.055328 Density= 0.214325 ETOT(band)= -0.232671 trlgG= -0.290211 logG= -0.055328 TDE= -0.340942 logGD-logG0= -0.001619 tlogG= -0.006993 logG= -0.008613 Density= 0.036188 ETOT(band)= -0.038129 trlgG= -0.047254 logG= -0.008613 TDE= -0.056548 Density= 0.212892 ETOT(band)= -0.234054 trlgG= -0.292919 logG= -0.056727 TDE= -0.341541 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005263 tlogG= -0.023875 logG= -0.029138 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107894 ETOT(band)= -0.116809 trlgG= -0.147207 logG= -0.029138 TDE= -0.171460 logGD-logG0= -0.010483 tlogG= -0.047757 logG= -0.058240 logGD-logG0= -0.009515 tlogG= -0.047941 logG= -0.057456 Density= 0.213238 ETOT(band)= -0.234263 trlgG= -0.293564 logG= -0.057456 TDE= -0.341629 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214718 ETOT(band)= -0.234085 trlgG= -0.294261 logG= -0.058240 TDE= -0.342274 logGD-logG0= -0.009907 tlogG= -0.047910 logG= -0.057818 Density= 0.213932 ETOT(band)= -0.234199 trlgG= -0.294113 logG= -0.057818 TDE= -0.342159 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.048092 logG= -0.058530 Density= 0.215031 ETOT(band)= -0.234138 trlgG= -0.294772 logG= -0.058530 TDE= -0.342650 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009788 tlogG= -0.047165 logG= -0.056953 logGD-logG0= -0.009400 tlogG= -0.047457 logG= -0.056858 Density= 0.214274 ETOT(band)= -0.233585 trlgG= -0.292979 logG= -0.056858 TDE= -0.342155 logGD-logG0= -0.009831 tlogG= -0.045660 logG= -0.055491 logGD-logG0= -0.010348 tlogG= -0.047797 logG= -0.058145 Density= 0.215109 ETOT(band)= -0.232396 trlgG= -0.290026 logG= -0.055491 TDE= -0.340981 logGD-logG0= -0.010286 tlogG= -0.047990 logG= -0.058277 Density= 0.215034 ETOT(band)= -0.233993 trlgG= -0.294355 logG= -0.058277 TDE= -0.342488 Density= 0.214618 ETOT(band)= -0.234079 trlgG= -0.294091 logG= -0.058145 TDE= -0.342150 Density= 0.213741 ETOT(band)= -0.233799 trlgG= -0.292641 logG= -0.056953 TDE= -0.341457 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009628 tlogG= -0.047169 logG= -0.056797 Density= 0.213731 ETOT(band)= -0.233755 trlgG= -0.292849 logG= -0.056797 TDE= -0.341816 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010148 tlogG= -0.047670 logG= -0.057818 Density= 0.213913 ETOT(band)= -0.234186 trlgG= -0.293865 logG= -0.057818 TDE= -0.341902 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.048039 logG= -0.058070 logGD-logG0= -0.010375 tlogG= -0.047319 logG= -0.057694 logGD-logG0= -0.010501 tlogG= -0.047952 logG= -0.058453 Density= 0.215854 ETOT(band)= -0.233701 trlgG= -0.294707 logG= -0.058453 TDE= -0.343069 Density= 0.214494 ETOT(band)= -0.234108 trlgG= -0.294174 logG= -0.058070 TDE= -0.342246 Density= 0.214224 ETOT(band)= -0.233979 trlgG= -0.293342 logG= -0.057694 TDE= -0.341657 logGD-logG0= -0.004889 tlogG= -0.021570 logG= -0.026459 Density= 0.108490 ETOT(band)= -0.114886 trlgG= -0.142841 logG= -0.026459 TDE= -0.170068 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010145 tlogG= -0.046423 logG= -0.056568 Density= 0.215175 ETOT(band)= -0.232958 trlgG= -0.291660 logG= -0.056568 TDE= -0.341572 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010632 tlogG= -0.048157 logG= -0.058788 logGD-logG0= -0.010575 tlogG= -0.047539 logG= -0.058115 Density= 0.215383 ETOT(band)= -0.234155 trlgG= -0.295236 logG= -0.058788 TDE= -0.343030 logGD-logG0= -0.004808 tlogG= -0.020995 logG= -0.025803 logGD-logG0= -0.010583 tlogG= -0.046890 logG= -0.057474 Density= 0.108686 ETOT(band)= -0.114298 trlgG= -0.141684 logG= -0.025803 TDE= -0.169665 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215658 ETOT(band)= -0.233585 trlgG= -0.294145 logG= -0.058115 TDE= -0.342748 Density= 0.215389 ETOT(band)= -0.233349 trlgG= -0.293103 logG= -0.057474 TDE= -0.342215 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047235 logG= -0.056990 logGD-logG0= -0.010519 tlogG= -0.048026 logG= -0.058545 Density= 0.215068 ETOT(band)= -0.234129 trlgG= -0.294799 logG= -0.058545 TDE= -0.342680 Density= 0.214439 ETOT(band)= -0.233546 trlgG= -0.292753 logG= -0.056990 TDE= -0.341878 logGD-logG0= -0.010555 tlogG= -0.047901 logG= -0.058456 Density= 0.215726 ETOT(band)= -0.233774 trlgG= -0.294709 logG= -0.058456 TDE= -0.343005 logGD-logG0= -0.010541 tlogG= -0.047433 logG= -0.057974 Density= 0.215427 ETOT(band)= -0.233625 trlgG= -0.293904 logG= -0.057974 TDE= -0.342534 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010056 tlogG= -0.047163 logG= -0.057219 logGD-logG0= -0.005056 tlogG= -0.021823 logG= -0.026879 Density= 0.215111 ETOT(band)= -0.233359 trlgG= -0.292677 logG= -0.057219 TDE= -0.341905 Density= 0.107767 ETOT(band)= -0.115542 trlgG= -0.143582 logG= -0.026879 TDE= -0.170031 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021880 logG= -0.026856 Density= 0.108300 ETOT(band)= -0.115253 trlgG= -0.143521 logG= -0.026856 TDE= -0.170257 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021700 logG= -0.026696 Density= 0.107910 ETOT(band)= -0.115349 trlgG= -0.143272 logG= -0.026696 TDE= -0.169975 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001686 tlogG= -0.007306 logG= -0.008992 Density= 0.035837 ETOT(band)= -0.038578 trlgG= -0.047914 logG= -0.008992 TDE= -0.056656 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080621 ETOT(band)= -0.087403 trlgG= -0.109625 logG= -0.007003 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009987 tlogG= -0.043400 logG= -0.053387 Density= 0.216233 ETOT(band)= -0.230488 trlgG= -0.286521 logG= -0.053387 TDE= -0.340136 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004901 tlogG= -0.023887 logG= -0.028788 logGD-logG0= -0.004818 tlogG= -0.023841 logG= -0.028659 Density= 0.213538 ETOT(band)= -0.234166 trlgG= -0.293777 logG= -0.028659 TDE= -0.171047 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213752 ETOT(band)= -0.234027 trlgG= -0.293041 logG= -0.028788 TDE= -0.170791 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.024012 logG= -0.028735 Density= 0.214084 ETOT(band)= -0.234103 trlgG= -0.294166 logG= -0.028735 TDE= -0.171229 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.023376 logG= -0.028011 Density= 0.214147 ETOT(band)= -0.233390 trlgG= -0.292373 logG= -0.028011 TDE= -0.170907 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023360 logG= -0.028778 Density= 0.215067 ETOT(band)= -0.233372 trlgG= -0.292752 logG= -0.028778 TDE= -0.170961 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024097 logG= -0.029080 Density= 0.107360 ETOT(band)= -0.117039 trlgG= -0.147149 logG= -0.029080 TDE= -0.171196 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006690 Density= 0.081183 ETOT(band)= -0.086362 trlgG= -0.107385 logG= -0.006690 TDE= -0.042572 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004778 tlogG= -0.022332 logG= -0.027110 Density= 0.214988 ETOT(band)= -0.231972 trlgG= -0.289127 logG= -0.027110 TDE= -0.170252 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005251 tlogG= -0.024064 logG= -0.029315 Density= 0.107925 ETOT(band)= -0.116915 trlgG= -0.147503 logG= -0.029315 TDE= -0.171595 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001428 tlogG= -0.007967 logG= -0.009395 Density= 0.070856 ETOT(band)= -0.077956 trlgG= -0.097465 logG= -0.009395 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 Density= 0.080816 ETOT(band)= -0.087654 trlgG= -0.110378 logG= -0.007213 TDE= -0.042866 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005985 logG= -0.007257 Density= 0.081044 ETOT(band)= -0.087557 trlgG= -0.110431 logG= -0.007257 TDE= -0.042896 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005857 logG= -0.007125 Density= 0.080633 ETOT(band)= -0.087619 trlgG= -0.110180 logG= -0.007125 TDE= -0.042812 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023591 logG= -0.028064 Density= 0.212586 ETOT(band)= -0.234012 trlgG= -0.292773 logG= -0.028064 TDE= -0.170693 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024136 logG= -0.028420 Density= 0.212140 ETOT(band)= -0.234393 trlgG= -0.293721 logG= -0.028420 TDE= -0.170976 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005621 logG= -0.006854 Density= 0.080822 ETOT(band)= -0.086975 trlgG= -0.108622 logG= -0.006854 TDE= -0.042670 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023962 logG= -0.029126 Density= 0.216345 ETOT(band)= -0.233252 trlgG= -0.294155 logG= -0.029126 TDE= -0.171567 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024162 logG= -0.029163 logGD-logG0= -0.004417 tlogG= -0.023744 logG= -0.028162 Density= 0.213052 ETOT(band)= -0.233605 trlgG= -0.291799 logG= -0.028162 TDE= -0.170778 Density= 0.214703 ETOT(band)= -0.234185 trlgG= -0.294565 logG= -0.029163 TDE= -0.171234 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004587 tlogG= -0.023895 logG= -0.028482 Density= 0.213247 ETOT(band)= -0.233880 trlgG= -0.292529 logG= -0.028482 TDE= -0.170781 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023767 logG= -0.028951 Density= 0.216234 ETOT(band)= -0.233054 trlgG= -0.293451 logG= -0.028951 TDE= -0.171426 logGD-logG0= -0.001576 tlogG= -0.006876 logG= -0.008452 Density= 0.040839 ETOT(band)= -0.042677 trlgG= -0.052805 logG= -0.008452 TDE= -0.056463 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001182 tlogG= -0.005173 logG= -0.006355 Density= 0.062529 ETOT(band)= -0.067550 trlgG= -0.084219 logG= -0.006355 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005397 tlogG= -0.023689 logG= -0.029086 logGD-logG0= -0.005208 tlogG= -0.024006 logG= -0.029214 Density= 0.215367 ETOT(band)= -0.233629 trlgG= -0.293893 logG= -0.029086 TDE= -0.171255 Density= 0.215645 ETOT(band)= -0.233874 trlgG= -0.294863 logG= -0.029214 TDE= -0.171576 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022910 logG= -0.027861 Density= 0.214757 ETOT(band)= -0.232419 trlgG= -0.289727 logG= -0.027861 TDE= -0.170430 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008926 tlogG= -0.048105 logG= -0.057031 Density= 0.425468 ETOT(band)= -0.468378 trlgG= -0.586531 logG= -0.057031 TDE= -0.341775 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023488 logG= -0.028723 Density= 0.215175 ETOT(band)= -0.233345 trlgG= -0.292944 logG= -0.028723 TDE= -0.171167 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009416 tlogG= -0.046722 logG= -0.056138 Density= 0.427818 ETOT(band)= -0.466167 trlgG= -0.581918 logG= -0.056138 TDE= -0.341216 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021307 logG= -0.026197 Density= 0.162614 ETOT(band)= -0.173000 trlgG= -0.215947 logG= -0.026197 TDE= -0.169881 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005349 tlogG= -0.023903 logG= -0.029252 logGD-logG0= -0.005171 tlogG= -0.024005 logG= -0.029176 Density= 0.216311 ETOT(band)= -0.233356 trlgG= -0.294388 logG= -0.029176 TDE= -0.171594 Density= 0.215604 ETOT(band)= -0.233776 trlgG= -0.294591 logG= -0.029252 TDE= -0.171432 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009616 tlogG= -0.047660 logG= -0.057276 Density= 0.426603 ETOT(band)= -0.468405 trlgG= -0.587050 logG= -0.057276 TDE= -0.341794 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046410 logG= -0.056309 Density= 0.429453 ETOT(band)= -0.465595 trlgG= -0.581594 logG= -0.056309 TDE= -0.341328 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.022297 logG= -0.027229 Density= 0.214222 ETOT(band)= -0.232460 trlgG= -0.289480 logG= -0.027229 TDE= -0.170166 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004756 tlogG= -0.024011 logG= -0.028766 logGD-logG0= -0.005301 tlogG= -0.024127 logG= -0.029428 Density= 0.321510 ETOT(band)= -0.351134 trlgG= -0.441393 logG= -0.028766 TDE= -0.171224 Density= 0.215677 ETOT(band)= -0.234029 trlgG= -0.295278 logG= -0.029428 TDE= -0.171609 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009570 tlogG= -0.047779 logG= -0.057349 Density= 0.427105 ETOT(band)= -0.467955 trlgG= -0.585903 logG= -0.057349 TDE= -0.341496 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023962 logG= -0.029023 Density= 0.214302 ETOT(band)= -0.234113 trlgG= -0.293949 logG= -0.029023 TDE= -0.171062 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.022478 logG= -0.027378 Density= 0.214982 ETOT(band)= -0.231683 trlgG= -0.288084 logG= -0.027378 TDE= -0.170179 logGD-logG0= -0.004561 tlogG= -0.023977 logG= -0.028539 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.022445 logG= -0.027546 Density= 0.212775 ETOT(band)= -0.234290 trlgG= -0.293522 logG= -0.028539 TDE= -0.170829 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216326 ETOT(band)= -0.231303 trlgG= -0.288642 logG= -0.027546 TDE= -0.170566 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024167 logG= -0.029194 Density= 0.322382 ETOT(band)= -0.351247 trlgG= -0.442073 logG= -0.029194 TDE= -0.171230 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081540 ETOT(band)= -0.085694 trlgG= -0.106226 logG= -0.006509 TDE= -0.042461 logGD-logG0= -0.004667 tlogG= -0.023372 logG= -0.028039 Density= 0.321580 ETOT(band)= -0.350086 trlgG= -0.438817 logG= -0.028039 TDE= -0.170899 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023420 logG= -0.028611 Density= 0.216155 ETOT(band)= -0.232674 trlgG= -0.292243 logG= -0.028611 TDE= -0.171187 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010142 tlogG= -0.045640 logG= -0.055782 Density= 0.323981 ETOT(band)= -0.347972 trlgG= -0.435025 logG= -0.055782 TDE= -0.341455 logGD-logG0= -0.010657 tlogG= -0.048051 logG= -0.058707 Density= 0.323186 ETOT(band)= -0.351011 trlgG= -0.442422 logG= -0.058707 TDE= -0.343020 logGD-logG0= -0.010372 tlogG= -0.047797 logG= -0.058168 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324285 ETOT(band)= -0.349939 trlgG= -0.441079 logG= -0.058168 TDE= -0.343028 logGD-logG0= -0.005232 tlogG= -0.024089 logG= -0.029321 logGD-logG0= -0.005163 tlogG= -0.022973 logG= -0.028136 Density= 0.216182 ETOT(band)= -0.232100 trlgG= -0.290627 logG= -0.028136 TDE= -0.170900 Density= 0.323001 ETOT(band)= -0.351219 trlgG= -0.442724 logG= -0.029321 TDE= -0.171422 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023249 logG= -0.028015 logGD-logG0= -0.005013 tlogG= -0.023250 logG= -0.028262 Density= 0.213464 ETOT(band)= -0.233633 trlgG= -0.292260 logG= -0.028015 TDE= -0.170743 Density= 0.321646 ETOT(band)= -0.350593 trlgG= -0.439669 logG= -0.028262 TDE= -0.170854 logGD-logG0= -0.009649 tlogG= -0.046615 logG= -0.056264 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322646 ETOT(band)= -0.349040 trlgG= -0.436458 logG= -0.056264 TDE= -0.341607 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047246 logG= -0.057664 Density= 0.324068 ETOT(band)= -0.349572 trlgG= -0.439731 logG= -0.057664 TDE= -0.342636 logGD-logG0= -0.009934 tlogG= -0.044632 logG= -0.054566 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324222 ETOT(band)= -0.346703 trlgG= -0.432015 logG= -0.054566 TDE= -0.340777 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023963 logG= -0.029296 Density= 0.323598 ETOT(band)= -0.350684 trlgG= -0.442167 logG= -0.029296 TDE= -0.171481 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023200 logG= -0.028352 logGD-logG0= -0.010415 tlogG= -0.046425 logG= -0.056840 Density= 0.323933 ETOT(band)= -0.348916 trlgG= -0.437645 logG= -0.056840 TDE= -0.342079 Density= 0.214829 ETOT(band)= -0.232972 trlgG= -0.291258 logG= -0.028352 TDE= -0.170617 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048158 logG= -0.058269 Density= 0.429224 ETOT(band)= -0.468303 trlgG= -0.588691 logG= -0.058269 TDE= -0.342309 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047967 logG= -0.058246 logGD-logG0= -0.009607 tlogG= -0.047849 logG= -0.057456 Density= 0.429127 ETOT(band)= -0.468265 trlgG= -0.588336 logG= -0.058246 TDE= -0.342149 Density= 0.427965 ETOT(band)= -0.468191 trlgG= -0.587918 logG= -0.057456 TDE= -0.342263 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.047678 logG= -0.057899 logGD-logG0= -0.005063 tlogG= -0.021885 logG= -0.026948 Density= 0.428217 ETOT(band)= -0.468175 trlgG= -0.587251 logG= -0.057899 TDE= -0.341903 Density= 0.216581 ETOT(band)= -0.230305 trlgG= -0.286526 logG= -0.026948 TDE= -0.170226 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010453 tlogG= -0.048081 logG= -0.058534 Density= 0.430064 ETOT(band)= -0.468136 trlgG= -0.589132 logG= -0.058534 TDE= -0.342650 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001687 tlogG= -0.007119 logG= -0.008806 Density= 0.072215 ETOT(band)= -0.076486 trlgG= -0.094855 logG= -0.008806 TDE= -0.056623 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010622 tlogG= -0.047739 logG= -0.058361 Density= 0.430669 ETOT(band)= -0.467560 trlgG= -0.588419 logG= -0.058361 TDE= -0.342667 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.047863 logG= -0.057646 Density= 0.429060 ETOT(band)= -0.467966 trlgG= -0.587891 logG= -0.057646 TDE= -0.342250 logGD-logG0= -0.004973 tlogG= -0.021356 logG= -0.026330 logGD-logG0= -0.010724 tlogG= -0.047703 logG= -0.058427 Density= 0.216974 ETOT(band)= -0.229197 trlgG= -0.284322 logG= -0.026330 TDE= -0.169894 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431009 ETOT(band)= -0.467503 trlgG= -0.588779 logG= -0.058427 TDE= -0.342773 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010648 tlogG= -0.048028 logG= -0.058677 Density= 0.431249 ETOT(band)= -0.467785 trlgG= -0.589772 logG= -0.058677 TDE= -0.343038 logGD-logG0= -0.010282 tlogG= -0.046941 logG= -0.057223 logGD-logG0= -0.009964 tlogG= -0.047569 logG= -0.057533 Density= 0.428533 ETOT(band)= -0.467519 trlgG= -0.586290 logG= -0.057533 TDE= -0.341948 Density= 0.429800 ETOT(band)= -0.466510 trlgG= -0.584294 logG= -0.057223 TDE= -0.341618 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009469 tlogG= -0.046617 logG= -0.056086 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428024 ETOT(band)= -0.466888 trlgG= -0.584524 logG= -0.056086 TDE= -0.341632 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.048231 logG= -0.058475 logGD-logG0= -0.010681 tlogG= -0.047278 logG= -0.057959 Density= 0.429958 ETOT(band)= -0.468306 trlgG= -0.589459 logG= -0.058475 TDE= -0.342524 Density= 0.430400 ETOT(band)= -0.467136 trlgG= -0.586947 logG= -0.057959 TDE= -0.342283 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010206 tlogG= -0.047580 logG= -0.057787 Density= 0.429930 ETOT(band)= -0.467157 trlgG= -0.586223 logG= -0.057787 TDE= -0.342063 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.022332 logG= -0.027150 Density= 0.322812 ETOT(band)= -0.348009 trlgG= -0.434069 logG= -0.027150 TDE= -0.170247 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021212 logG= -0.026143 Density= 0.216301 ETOT(band)= -0.230058 trlgG= -0.285578 logG= -0.026143 TDE= -0.169800 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001567 tlogG= -0.007590 logG= -0.009157 Density= 0.071484 ETOT(band)= -0.077354 trlgG= -0.096168 logG= -0.009157 TDE= -0.056737 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.044635 logG= -0.054418 Density= 0.431521 ETOT(band)= -0.462121 trlgG= -0.574816 logG= -0.054418 TDE= -0.340413 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005241 tlogG= -0.023805 logG= -0.029046 Density= 0.215294 ETOT(band)= -0.233780 trlgG= -0.294207 logG= -0.029046 TDE= -0.171424 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.023850 logG= -0.028908 Density= 0.215455 ETOT(band)= -0.233775 trlgG= -0.294312 logG= -0.028908 TDE= -0.171112 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.845141434034 eV TrLogG= -407.295102872475 eV Ratio to renormalize= 1.000213937922 rho-rho_expected=-0.004705627578 nargs= 1 argi=dmft2.def 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964636507032847 0.940368312119381 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004534 tlogG= -0.024050 logG= -0.028584 Density= 0.106371 ETOT(band)= -0.117159 trlgG= -0.146808 logG= -0.028584 TDE= -0.170861 logGD-logG0= -0.004940 tlogG= -0.022175 logG= -0.027115 Density= 0.108336 ETOT(band)= -0.115436 trlgG= -0.143969 logG= -0.027115 TDE= -0.170464 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023689 logG= -0.028964 Density= 0.107212 ETOT(band)= -0.117008 trlgG= -0.146858 logG= -0.028964 TDE= -0.170948 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.022880 logG= -0.027979 Density= 0.107595 ETOT(band)= -0.116303 trlgG= -0.145352 logG= -0.027979 TDE= -0.170616 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023691 logG= -0.028388 Density= 0.106957 ETOT(band)= -0.116848 trlgG= -0.146498 logG= -0.028388 TDE= -0.171037 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004669 tlogG= -0.023673 logG= -0.028342 logGD-logG0= -0.004870 tlogG= -0.024074 logG= -0.028944 Density= 0.107037 ETOT(band)= -0.117101 trlgG= -0.147174 logG= -0.028944 TDE= -0.171198 Density= 0.106580 ETOT(band)= -0.116965 trlgG= -0.146392 logG= -0.028342 TDE= -0.170792 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010843 logG= -0.013300 Density= 0.054052 ETOT(band)= -0.057593 trlgG= -0.071549 logG= -0.013300 TDE= -0.084996 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007813 logG= -0.009295 Density= 0.035486 ETOT(band)= -0.038927 trlgG= -0.048611 logG= -0.009295 TDE= -0.056876 logGD-logG0= -0.002597 tlogG= -0.012035 logG= -0.014631 logGD-logG0= -0.002415 tlogG= -0.012084 logG= -0.014499 Density= 0.053575 ETOT(band)= -0.058548 trlgG= -0.073633 logG= -0.014499 TDE= -0.085645 Density= 0.053752 ETOT(band)= -0.058537 trlgG= -0.073691 logG= -0.014631 TDE= -0.085659 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008046 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048975 logG= -0.009447 TDE= -0.057000 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011886 logG= -0.014205 Density= 0.053552 ETOT(band)= -0.058404 trlgG= -0.073271 logG= -0.014205 TDE= -0.085566 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011450 logG= -0.013777 Density= 0.053727 ETOT(band)= -0.058073 trlgG= -0.072507 logG= -0.013777 TDE= -0.085316 logGD-logG0= -0.004611 tlogG= -0.023210 logG= -0.027821 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106718 ETOT(band)= -0.116628 trlgG= -0.145479 logG= -0.027821 TDE= -0.170468 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004337 tlogG= -0.023979 logG= -0.028316 logGD-logG0= -0.005125 tlogG= -0.023955 logG= -0.029081 Density= 0.108205 ETOT(band)= -0.116622 trlgG= -0.147113 logG= -0.029081 TDE= -0.171578 logGD-logG0= -0.005023 tlogG= -0.022462 logG= -0.027486 Density= 0.108181 ETOT(band)= -0.115742 trlgG= -0.144577 logG= -0.027486 TDE= -0.170624 Density= 0.106153 ETOT(band)= -0.117127 trlgG= -0.146685 logG= -0.028316 TDE= -0.170899 logGD-logG0= -0.005268 tlogG= -0.024076 logG= -0.029344 Density= 0.107622 ETOT(band)= -0.117074 trlgG= -0.147527 logG= -0.029344 TDE= -0.171440 logGD-logG0= -0.002553 tlogG= -0.011987 logG= -0.014539 Density= 0.054126 ETOT(band)= -0.058299 trlgG= -0.073554 logG= -0.014539 TDE= -0.085799 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.024056 logG= -0.028366 logGD-logG0= -0.005138 tlogG= -0.023769 logG= -0.028907 logGD-logG0= -0.005134 tlogG= -0.023435 logG= -0.028569 Density= 0.108108 ETOT(band)= -0.116385 trlgG= -0.146299 logG= -0.028569 TDE= -0.171227 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.022988 logG= -0.028079 Density= 0.108155 ETOT(band)= -0.116547 trlgG= -0.146835 logG= -0.028907 TDE= -0.171448 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106101 ETOT(band)= -0.117171 trlgG= -0.146798 logG= -0.028366 TDE= -0.170936 Density= 0.108113 ETOT(band)= -0.116115 trlgG= -0.145524 logG= -0.028079 TDE= -0.170944 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004819 tlogG= -0.023693 logG= -0.028512 Density= 0.107359 ETOT(band)= -0.116729 trlgG= -0.146407 logG= -0.028512 TDE= -0.171022 logGD-logG0= -0.004852 tlogG= -0.022855 logG= -0.027706 Density= 0.107726 ETOT(band)= -0.116098 trlgG= -0.144940 logG= -0.027706 TDE= -0.170542 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022413 logG= -0.027413 Density= 0.107613 ETOT(band)= -0.115970 trlgG= -0.144456 logG= -0.027413 TDE= -0.170295 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024092 logG= -0.029369 Density= 0.107866 ETOT(band)= -0.116982 trlgG= -0.147591 logG= -0.029369 TDE= -0.171600 logGD-logG0= -0.005113 tlogG= -0.023877 logG= -0.028989 Density= 0.108226 ETOT(band)= -0.116558 trlgG= -0.146964 logG= -0.028989 TDE= -0.171531 logGD-logG0= -0.004698 tlogG= -0.022994 logG= -0.027692 logGD-logG0= -0.004723 tlogG= -0.023505 logG= -0.028228 Density= 0.106755 ETOT(band)= -0.116819 trlgG= -0.145963 logG= -0.028228 TDE= -0.170563 logGD-logG0= -0.005084 tlogG= -0.023221 logG= -0.028305 Density= 0.108172 ETOT(band)= -0.116208 trlgG= -0.145880 logG= -0.028305 TDE= -0.171103 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024097 logG= -0.029080 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002622 tlogG= -0.011990 logG= -0.014612 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107360 ETOT(band)= -0.117039 trlgG= -0.147149 logG= -0.029080 TDE= -0.171196 logGD-logG0= -0.004987 tlogG= -0.023648 logG= -0.028635 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053972 ETOT(band)= -0.058420 trlgG= -0.073675 logG= -0.014612 TDE= -0.085771 logGD-logG0= -0.005115 tlogG= -0.023610 logG= -0.028725 logGD-logG0= -0.005019 tlogG= -0.022739 logG= -0.027758 Density= 0.108226 ETOT(band)= -0.115879 trlgG= -0.145013 logG= -0.027758 TDE= -0.170810 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106959 ETOT(band)= -0.116937 trlgG= -0.146308 logG= -0.028635 TDE= -0.170602 logGD-logG0= -0.005300 tlogG= -0.023907 logG= -0.029207 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023972 logG= -0.029190 Density= 0.107424 ETOT(band)= -0.117061 trlgG= -0.147254 logG= -0.029190 TDE= -0.171222 Density= 0.107730 ETOT(band)= -0.116940 trlgG= -0.147312 logG= -0.029207 TDE= -0.171415 Density= 0.106853 ETOT(band)= -0.116497 trlgG= -0.145217 logG= -0.027692 TDE= -0.170402 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108181 ETOT(band)= -0.116432 trlgG= -0.146543 logG= -0.028725 TDE= -0.171351 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.024063 logG= -0.029315 Density= 0.107925 ETOT(band)= -0.116915 trlgG= -0.147503 logG= -0.029315 TDE= -0.171594 logGD-logG0= -0.004893 tlogG= -0.023897 logG= -0.028790 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106739 ETOT(band)= -0.117120 trlgG= -0.146920 logG= -0.028790 TDE= -0.170949 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004729 tlogG= -0.022857 logG= -0.027586 Density= 0.107277 ETOT(band)= -0.116243 trlgG= -0.145066 logG= -0.027586 TDE= -0.170566 logGD-logG0= -0.001619 tlogG= -0.006993 logG= -0.008613 Density= 0.036188 ETOT(band)= -0.038129 trlgG= -0.047254 logG= -0.008613 TDE= -0.056548 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005290 tlogG= -0.023201 logG= -0.028491 Density= 0.107662 ETOT(band)= -0.116551 trlgG= -0.146162 logG= -0.028491 TDE= -0.170947 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009762 tlogG= -0.048254 logG= -0.058015 logGD-logG0= -0.005300 tlogG= -0.023585 logG= -0.028885 Density= 0.214364 ETOT(band)= -0.234160 trlgG= -0.294424 logG= -0.058015 TDE= -0.342486 Density= 0.107778 ETOT(band)= -0.116712 trlgG= -0.146791 logG= -0.028885 TDE= -0.171240 logGD-logG0= -0.009447 tlogG= -0.045770 logG= -0.055218 logGD-logG0= -0.009087 tlogG= -0.047640 logG= -0.056727 Density= 0.214978 ETOT(band)= -0.232319 trlgG= -0.290033 logG= -0.055218 TDE= -0.341197 logGD-logG0= -0.009628 tlogG= -0.047169 logG= -0.056797 Density= 0.213730 ETOT(band)= -0.233754 trlgG= -0.292848 logG= -0.056797 TDE= -0.341815 Density= 0.212891 ETOT(band)= -0.234054 trlgG= -0.292918 logG= -0.056727 TDE= -0.341540 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009727 tlogG= -0.045600 logG= -0.055328 logGD-logG0= -0.009515 tlogG= -0.047940 logG= -0.057456 logGD-logG0= -0.009789 tlogG= -0.047165 logG= -0.056953 Density= 0.213741 ETOT(band)= -0.233799 trlgG= -0.292640 logG= -0.056953 TDE= -0.341457 Density= 0.214324 ETOT(band)= -0.232670 trlgG= -0.290210 logG= -0.055328 TDE= -0.340941 Density= 0.213238 ETOT(band)= -0.234263 trlgG= -0.293563 logG= -0.057456 TDE= -0.341628 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009908 tlogG= -0.047910 logG= -0.057818 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213932 ETOT(band)= -0.234199 trlgG= -0.294112 logG= -0.057818 TDE= -0.342158 logGD-logG0= -0.005263 tlogG= -0.023875 logG= -0.029138 Density= 0.107894 ETOT(band)= -0.116809 trlgG= -0.147206 logG= -0.029138 TDE= -0.171460 logGD-logG0= -0.009400 tlogG= -0.047457 logG= -0.056858 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010519 tlogG= -0.048026 logG= -0.058545 logGD-logG0= -0.010438 tlogG= -0.048092 logG= -0.058530 Density= 0.215068 ETOT(band)= -0.234129 trlgG= -0.294798 logG= -0.058545 TDE= -0.342679 logGD-logG0= -0.010031 tlogG= -0.048039 logG= -0.058070 Density= 0.214494 ETOT(band)= -0.234107 trlgG= -0.294173 logG= -0.058070 TDE= -0.342245 Density= 0.214274 ETOT(band)= -0.233584 trlgG= -0.292978 logG= -0.056858 TDE= -0.342154 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215031 ETOT(band)= -0.234138 trlgG= -0.294771 logG= -0.058530 TDE= -0.342649 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.047757 logG= -0.058240 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002395 tlogG= -0.010429 logG= -0.012824 Density= 0.054366 ETOT(band)= -0.057076 trlgG= -0.070702 logG= -0.012824 TDE= -0.084781 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009832 tlogG= -0.045660 logG= -0.055491 Density= 0.214718 ETOT(band)= -0.234084 trlgG= -0.294260 logG= -0.058240 TDE= -0.342273 logGD-logG0= -0.010148 tlogG= -0.047670 logG= -0.057818 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215109 ETOT(band)= -0.232395 trlgG= -0.290025 logG= -0.055491 TDE= -0.340980 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213913 ETOT(band)= -0.234186 trlgG= -0.293864 logG= -0.057818 TDE= -0.341901 logGD-logG0= -0.010286 tlogG= -0.047990 logG= -0.058277 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215034 ETOT(band)= -0.233992 trlgG= -0.294354 logG= -0.058277 TDE= -0.342487 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010348 tlogG= -0.047797 logG= -0.058145 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047952 logG= -0.058453 Density= 0.214617 ETOT(band)= -0.234078 trlgG= -0.294091 logG= -0.058145 TDE= -0.342149 logGD-logG0= -0.010375 tlogG= -0.047319 logG= -0.057694 Density= 0.214224 ETOT(band)= -0.233979 trlgG= -0.293341 logG= -0.057694 TDE= -0.341656 Density= 0.215853 ETOT(band)= -0.233701 trlgG= -0.294707 logG= -0.058453 TDE= -0.343069 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.047539 logG= -0.058115 logGD-logG0= -0.010145 tlogG= -0.046423 logG= -0.056568 Density= 0.215175 ETOT(band)= -0.232958 trlgG= -0.291659 logG= -0.056568 TDE= -0.341571 Density= 0.215658 ETOT(band)= -0.233584 trlgG= -0.294144 logG= -0.058115 TDE= -0.342748 logGD-logG0= -0.001686 tlogG= -0.007306 logG= -0.008992 Density= 0.035837 ETOT(band)= -0.038578 trlgG= -0.047914 logG= -0.008992 TDE= -0.056656 logGD-logG0= -0.010556 tlogG= -0.047901 logG= -0.058456 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010541 tlogG= -0.047433 logG= -0.057974 Density= 0.215427 ETOT(band)= -0.233625 trlgG= -0.293903 logG= -0.057974 TDE= -0.342533 Density= 0.215726 ETOT(band)= -0.233773 trlgG= -0.294708 logG= -0.058456 TDE= -0.343004 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047235 logG= -0.056990 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214439 ETOT(band)= -0.233546 trlgG= -0.292752 logG= -0.056990 TDE= -0.341877 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.046890 logG= -0.057474 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215388 ETOT(band)= -0.233348 trlgG= -0.293103 logG= -0.057474 TDE= -0.342214 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010056 tlogG= -0.047163 logG= -0.057219 logGD-logG0= -0.005056 tlogG= -0.021823 logG= -0.026879 Density= 0.215111 ETOT(band)= -0.233359 trlgG= -0.292676 logG= -0.057219 TDE= -0.341905 Density= 0.107767 ETOT(band)= -0.115542 trlgG= -0.143581 logG= -0.026879 TDE= -0.170031 logGD-logG0= -0.005101 tlogG= -0.022445 logG= -0.027546 logGD-logG0= -0.005061 tlogG= -0.023962 logG= -0.029023 Density= 0.214302 ETOT(band)= -0.234112 trlgG= -0.293949 logG= -0.029023 TDE= -0.171061 Density= 0.216326 ETOT(band)= -0.231302 trlgG= -0.288641 logG= -0.027546 TDE= -0.170565 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.021570 logG= -0.026459 Density= 0.108490 ETOT(band)= -0.114886 trlgG= -0.142841 logG= -0.026459 TDE= -0.170068 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004562 tlogG= -0.023977 logG= -0.028539 Density= 0.212775 ETOT(band)= -0.234289 trlgG= -0.293521 logG= -0.028539 TDE= -0.170829 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004808 tlogG= -0.020995 logG= -0.025803 logGD-logG0= -0.004976 tlogG= -0.021880 logG= -0.026856 Density= 0.108300 ETOT(band)= -0.115252 trlgG= -0.143520 logG= -0.026856 TDE= -0.170257 Density= 0.108686 ETOT(band)= -0.114298 trlgG= -0.141684 logG= -0.025803 TDE= -0.169664 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021700 logG= -0.026696 Density= 0.107909 ETOT(band)= -0.115349 trlgG= -0.143272 logG= -0.026696 TDE= -0.169974 logGD-logG0= -0.004766 tlogG= -0.023249 logG= -0.028015 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213463 ETOT(band)= -0.233632 trlgG= -0.292259 logG= -0.028015 TDE= -0.170742 logGD-logG0= -0.005153 tlogG= -0.023199 logG= -0.028352 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214828 ETOT(band)= -0.232972 trlgG= -0.291257 logG= -0.028352 TDE= -0.170617 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.023376 logG= -0.028011 Density= 0.214147 ETOT(band)= -0.233390 trlgG= -0.292372 logG= -0.028011 TDE= -0.170906 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.024012 logG= -0.028735 Density= 0.214084 ETOT(band)= -0.234103 trlgG= -0.294165 logG= -0.028735 TDE= -0.171228 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010632 tlogG= -0.048156 logG= -0.058788 Density= 0.215383 ETOT(band)= -0.234154 trlgG= -0.295235 logG= -0.058788 TDE= -0.343029 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006690 Density= 0.081183 ETOT(band)= -0.086362 trlgG= -0.107385 logG= -0.006690 TDE= -0.042572 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009988 tlogG= -0.043400 logG= -0.053387 Density= 0.216232 ETOT(band)= -0.230487 trlgG= -0.286520 logG= -0.053387 TDE= -0.340135 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005310 tlogG= -0.024138 logG= -0.029448 Density= 0.107790 ETOT(band)= -0.117070 trlgG= -0.147716 logG= -0.029448 TDE= -0.171608 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001428 tlogG= -0.007967 logG= -0.009395 Density= 0.070856 ETOT(band)= -0.077956 trlgG= -0.097464 logG= -0.009395 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004417 tlogG= -0.023744 logG= -0.028162 Density= 0.213052 ETOT(band)= -0.233604 trlgG= -0.291798 logG= -0.028162 TDE= -0.170777 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005173 logG= -0.006355 Density= 0.062529 ETOT(band)= -0.067550 trlgG= -0.084219 logG= -0.006355 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 Density= 0.080816 ETOT(band)= -0.087654 trlgG= -0.110377 logG= -0.007213 TDE= -0.042866 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005857 logG= -0.007125 Density= 0.080633 ETOT(band)= -0.087618 trlgG= -0.110180 logG= -0.007125 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005985 logG= -0.007257 Density= 0.081044 ETOT(band)= -0.087556 trlgG= -0.110431 logG= -0.007257 TDE= -0.042896 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024136 logG= -0.028420 Density= 0.212140 ETOT(band)= -0.234392 trlgG= -0.293720 logG= -0.028420 TDE= -0.170975 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001567 tlogG= -0.007590 logG= -0.009157 Density= 0.071484 ETOT(band)= -0.077354 trlgG= -0.096167 logG= -0.009157 TDE= -0.056737 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005621 logG= -0.006854 Density= 0.080822 ETOT(band)= -0.086974 trlgG= -0.108622 logG= -0.006854 TDE= -0.042670 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080621 ETOT(band)= -0.087403 trlgG= -0.109625 logG= -0.007003 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023591 logG= -0.028064 logGD-logG0= -0.005164 tlogG= -0.023962 logG= -0.029126 Density= 0.216344 ETOT(band)= -0.233251 trlgG= -0.294155 logG= -0.029126 TDE= -0.171567 Density= 0.212586 ETOT(band)= -0.234011 trlgG= -0.292773 logG= -0.028064 TDE= -0.170692 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007119 logG= -0.008806 Density= 0.072214 ETOT(band)= -0.076486 trlgG= -0.094855 logG= -0.008806 TDE= -0.056623 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004587 tlogG= -0.023895 logG= -0.028482 logGD-logG0= -0.001576 tlogG= -0.006876 logG= -0.008452 Density= 0.040839 ETOT(band)= -0.042676 trlgG= -0.052805 logG= -0.008452 TDE= -0.056462 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213247 ETOT(band)= -0.233879 trlgG= -0.292528 logG= -0.028482 TDE= -0.170781 logGD-logG0= -0.005208 tlogG= -0.024006 logG= -0.029214 logGD-logG0= -0.005002 tlogG= -0.024162 logG= -0.029163 Density= 0.214702 ETOT(band)= -0.234184 trlgG= -0.294564 logG= -0.029163 TDE= -0.171234 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215644 ETOT(band)= -0.233873 trlgG= -0.294862 logG= -0.029214 TDE= -0.171576 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.022478 logG= -0.027378 Density= 0.214982 ETOT(band)= -0.231682 trlgG= -0.288083 logG= -0.027378 TDE= -0.170178 logGD-logG0= -0.005184 tlogG= -0.023767 logG= -0.028951 Density= 0.216234 ETOT(band)= -0.233053 trlgG= -0.293450 logG= -0.028951 TDE= -0.171426 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023488 logG= -0.028723 Density= 0.215175 ETOT(band)= -0.233344 trlgG= -0.292944 logG= -0.028723 TDE= -0.171166 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022910 logG= -0.027861 logGD-logG0= -0.005171 tlogG= -0.024005 logG= -0.029176 Density= 0.216311 ETOT(band)= -0.233355 trlgG= -0.294387 logG= -0.029176 TDE= -0.171593 Density= 0.214757 ETOT(band)= -0.232418 trlgG= -0.289727 logG= -0.027861 TDE= -0.170430 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.023804 logG= -0.029046 Density= 0.215294 ETOT(band)= -0.233779 trlgG= -0.294207 logG= -0.029046 TDE= -0.171423 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008926 tlogG= -0.048105 logG= -0.057031 Density= 0.425468 ETOT(band)= -0.468377 trlgG= -0.586529 logG= -0.057031 TDE= -0.341774 logGD-logG0= -0.005397 tlogG= -0.023689 logG= -0.029086 Density= 0.215366 ETOT(band)= -0.233628 trlgG= -0.293892 logG= -0.029086 TDE= -0.171255 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.023850 logG= -0.028908 Density= 0.215455 ETOT(band)= -0.233775 trlgG= -0.294311 logG= -0.028908 TDE= -0.171111 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009416 tlogG= -0.046722 logG= -0.056138 logGD-logG0= -0.005301 tlogG= -0.024127 logG= -0.029428 Density= 0.215677 ETOT(band)= -0.234029 trlgG= -0.295277 logG= -0.029428 TDE= -0.171608 Density= 0.427818 ETOT(band)= -0.466166 trlgG= -0.581917 logG= -0.056138 TDE= -0.341215 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004756 tlogG= -0.024011 logG= -0.028766 Density= 0.321510 ETOT(band)= -0.351133 trlgG= -0.441392 logG= -0.028766 TDE= -0.171223 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009617 tlogG= -0.047660 logG= -0.057276 Density= 0.426602 ETOT(band)= -0.468404 trlgG= -0.587049 logG= -0.057276 TDE= -0.341793 logGD-logG0= -0.009570 tlogG= -0.047779 logG= -0.057349 Density= 0.427104 ETOT(band)= -0.467954 trlgG= -0.585901 logG= -0.057349 TDE= -0.341495 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021307 logG= -0.026197 Density= 0.162614 ETOT(band)= -0.172999 trlgG= -0.215946 logG= -0.026197 TDE= -0.169880 logGD-logG0= -0.005349 tlogG= -0.023903 logG= -0.029252 Density= 0.215604 ETOT(band)= -0.233776 trlgG= -0.294590 logG= -0.029252 TDE= -0.171432 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009898 tlogG= -0.046410 logG= -0.056309 logGD-logG0= -0.005027 tlogG= -0.024167 logG= -0.029194 Density= 0.429452 ETOT(band)= -0.465594 trlgG= -0.581593 logG= -0.056309 TDE= -0.341327 Density= 0.322381 ETOT(band)= -0.351246 trlgG= -0.442072 logG= -0.029194 TDE= -0.171229 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004667 tlogG= -0.023372 logG= -0.028039 Density= 0.321580 ETOT(band)= -0.350085 trlgG= -0.438815 logG= -0.028039 TDE= -0.170898 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023420 logG= -0.028611 Density= 0.216154 ETOT(band)= -0.232674 trlgG= -0.292242 logG= -0.028611 TDE= -0.171187 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.047796 logG= -0.058168 Density= 0.324284 ETOT(band)= -0.349938 trlgG= -0.441078 logG= -0.058168 TDE= -0.343027 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022973 logG= -0.028136 logGD-logG0= -0.010142 tlogG= -0.045640 logG= -0.055782 Density= 0.216182 ETOT(band)= -0.232100 trlgG= -0.290627 logG= -0.028136 TDE= -0.170900 Density= 0.323981 ETOT(band)= -0.347971 trlgG= -0.435024 logG= -0.055782 TDE= -0.341454 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.023887 logG= -0.028788 Density= 0.213752 ETOT(band)= -0.234027 trlgG= -0.293040 logG= -0.028788 TDE= -0.170791 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047246 logG= -0.057664 logGD-logG0= -0.005013 tlogG= -0.023250 logG= -0.028262 Density= 0.324068 ETOT(band)= -0.349571 trlgG= -0.439730 logG= -0.057664 TDE= -0.342635 Density= 0.321646 ETOT(band)= -0.350592 trlgG= -0.439668 logG= -0.028262 TDE= -0.170853 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.048050 logG= -0.058707 Density= 0.323186 ETOT(band)= -0.351010 trlgG= -0.442421 logG= -0.058707 TDE= -0.343019 logGD-logG0= -0.009649 tlogG= -0.046615 logG= -0.056264 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322646 ETOT(band)= -0.349039 trlgG= -0.436457 logG= -0.056264 TDE= -0.341606 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010415 tlogG= -0.046425 logG= -0.056840 Density= 0.323933 ETOT(band)= -0.348915 trlgG= -0.437644 logG= -0.056840 TDE= -0.342078 logGD-logG0= -0.004818 tlogG= -0.023841 logG= -0.028659 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213538 ETOT(band)= -0.234165 trlgG= -0.293776 logG= -0.028659 TDE= -0.171047 logGD-logG0= -0.005334 tlogG= -0.023962 logG= -0.029296 Density= 0.323597 ETOT(band)= -0.350683 trlgG= -0.442166 logG= -0.029296 TDE= -0.171480 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081540 ETOT(band)= -0.085693 trlgG= -0.106225 logG= -0.006509 TDE= -0.042461 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009934 tlogG= -0.044632 logG= -0.054566 Density= 0.324221 ETOT(band)= -0.346702 trlgG= -0.432014 logG= -0.054566 TDE= -0.340776 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.048231 logG= -0.058475 Density= 0.429958 ETOT(band)= -0.468305 trlgG= -0.589458 logG= -0.058475 TDE= -0.342523 logGD-logG0= -0.009469 tlogG= -0.046617 logG= -0.056086 Density= 0.428023 ETOT(band)= -0.466887 trlgG= -0.584523 logG= -0.056086 TDE= -0.341631 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023360 logG= -0.028778 Density= 0.215067 ETOT(band)= -0.233371 trlgG= -0.292752 logG= -0.028778 TDE= -0.170961 logGD-logG0= -0.010221 tlogG= -0.047678 logG= -0.057899 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428216 ETOT(band)= -0.468174 trlgG= -0.587249 logG= -0.057899 TDE= -0.341903 logGD-logG0= -0.009607 tlogG= -0.047849 logG= -0.057456 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427964 ETOT(band)= -0.468190 trlgG= -0.587916 logG= -0.057456 TDE= -0.342262 logGD-logG0= -0.009783 tlogG= -0.047863 logG= -0.057646 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429059 ETOT(band)= -0.467965 trlgG= -0.587890 logG= -0.057646 TDE= -0.342249 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.021211 logG= -0.026143 logGD-logG0= -0.010110 tlogG= -0.048158 logG= -0.058269 Density= 0.429223 ETOT(band)= -0.468302 trlgG= -0.588689 logG= -0.058269 TDE= -0.342308 Density= 0.216301 ETOT(band)= -0.230058 trlgG= -0.285577 logG= -0.026143 TDE= -0.169800 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010622 tlogG= -0.047739 logG= -0.058361 Density= 0.430669 ETOT(band)= -0.467559 trlgG= -0.588418 logG= -0.058361 TDE= -0.342666 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047966 logG= -0.058246 Density= 0.429127 ETOT(band)= -0.468263 trlgG= -0.588335 logG= -0.058246 TDE= -0.342148 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.048081 logG= -0.058534 Density= 0.430064 ETOT(band)= -0.468135 trlgG= -0.589130 logG= -0.058534 TDE= -0.342649 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010649 tlogG= -0.048028 logG= -0.058677 Density= 0.431249 ETOT(band)= -0.467784 trlgG= -0.589771 logG= -0.058677 TDE= -0.343037 logGD-logG0= -0.010724 tlogG= -0.047703 logG= -0.058427 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431008 ETOT(band)= -0.467502 trlgG= -0.588778 logG= -0.058427 TDE= -0.342772 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.047569 logG= -0.057533 logGD-logG0= -0.010282 tlogG= -0.046941 logG= -0.057223 Density= 0.429800 ETOT(band)= -0.466509 trlgG= -0.584292 logG= -0.057223 TDE= -0.341617 Density= 0.428532 ETOT(band)= -0.467518 trlgG= -0.586288 logG= -0.057533 TDE= -0.341947 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.022297 logG= -0.027229 Density= 0.214222 ETOT(band)= -0.232459 trlgG= -0.289479 logG= -0.027229 TDE= -0.170165 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005232 tlogG= -0.024089 logG= -0.029321 Density= 0.323001 ETOT(band)= -0.351218 trlgG= -0.442723 logG= -0.029321 TDE= -0.171422 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.022332 logG= -0.027150 Density= 0.322811 ETOT(band)= -0.348008 trlgG= -0.434068 logG= -0.027150 TDE= -0.170246 logGD-logG0= -0.010681 tlogG= -0.047278 logG= -0.057959 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430399 ETOT(band)= -0.467135 trlgG= -0.586946 logG= -0.057959 TDE= -0.342282 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010206 tlogG= -0.047580 logG= -0.057787 Density= 0.429930 ETOT(band)= -0.467156 trlgG= -0.586222 logG= -0.057787 TDE= -0.342062 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021885 logG= -0.026948 Density= 0.216581 ETOT(band)= -0.230305 trlgG= -0.286525 logG= -0.026948 TDE= -0.170225 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021356 logG= -0.026330 Density= 0.216973 ETOT(band)= -0.229197 trlgG= -0.284321 logG= -0.026330 TDE= -0.169893 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004778 tlogG= -0.022332 logG= -0.027110 Density= 0.214988 ETOT(band)= -0.231971 trlgG= -0.289126 logG= -0.027110 TDE= -0.170252 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009783 tlogG= -0.044635 logG= -0.054418 Density= 0.431521 ETOT(band)= -0.462120 trlgG= -0.574814 logG= -0.054418 TDE= -0.340412 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.844320245084 eV TrLogG= -407.293928262203 eV Ratio to renormalize= 1.000215150235 rho-rho_expected=-0.004732287024 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 63) Finished k-point number 128 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964629745976290 0.940360391292733 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002553 tlogG= -0.011986 logG= -0.014539 Density= 0.054126 ETOT(band)= -0.058298 trlgG= -0.073553 logG= -0.014539 TDE= -0.085798 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011885 logG= -0.014205 Density= 0.053552 ETOT(band)= -0.058403 trlgG= -0.073269 logG= -0.014205 TDE= -0.085565 logGD-logG0= -0.002326 tlogG= -0.011450 logG= -0.013776 Density= 0.053726 ETOT(band)= -0.058072 trlgG= -0.072505 logG= -0.013776 TDE= -0.085315 logGD-logG0= -0.002415 tlogG= -0.012084 logG= -0.014498 Density= 0.053574 ETOT(band)= -0.058547 trlgG= -0.073631 logG= -0.014498 TDE= -0.085644 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012034 logG= -0.014631 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053752 ETOT(band)= -0.058536 trlgG= -0.073689 logG= -0.014631 TDE= -0.085658 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023609 logG= -0.028724 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108180 ETOT(band)= -0.116430 trlgG= -0.146540 logG= -0.028724 TDE= -0.171349 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007812 logG= -0.009294 Density= 0.035486 ETOT(band)= -0.038926 trlgG= -0.048610 logG= -0.009294 TDE= -0.056876 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001401 tlogG= -0.008045 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048974 logG= -0.009447 TDE= -0.056999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022461 logG= -0.027484 Density= 0.108180 ETOT(band)= -0.115740 trlgG= -0.144573 logG= -0.027484 TDE= -0.170622 logGD-logG0= -0.005263 tlogG= -0.023874 logG= -0.029137 Density= 0.107893 ETOT(band)= -0.116807 trlgG= -0.147203 logG= -0.029137 TDE= -0.171457 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023434 logG= -0.028568 Density= 0.108108 ETOT(band)= -0.116383 trlgG= -0.146295 logG= -0.028568 TDE= -0.171225 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002622 tlogG= -0.011990 logG= -0.014612 logGD-logG0= -0.009727 tlogG= -0.045598 logG= -0.055325 logGD-logG0= -0.005268 tlogG= -0.024075 logG= -0.029342 Density= 0.214324 ETOT(band)= -0.232666 trlgG= -0.290204 logG= -0.055325 TDE= -0.340937 Density= 0.107621 ETOT(band)= -0.117072 trlgG= -0.147524 logG= -0.029342 TDE= -0.171438 Density= 0.053972 ETOT(band)= -0.058419 trlgG= -0.073673 logG= -0.014612 TDE= -0.085770 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004337 tlogG= -0.023977 logG= -0.028315 Density= 0.106153 ETOT(band)= -0.117125 trlgG= -0.146682 logG= -0.028315 TDE= -0.170897 logGD-logG0= -0.004310 tlogG= -0.024054 logG= -0.028365 Density= 0.106101 ETOT(band)= -0.117169 trlgG= -0.146795 logG= -0.028365 TDE= -0.170934 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004941 tlogG= -0.022173 logG= -0.027114 Density= 0.108336 ETOT(band)= -0.115434 trlgG= -0.143966 logG= -0.027114 TDE= -0.170461 logGD-logG0= -0.005139 tlogG= -0.023767 logG= -0.028906 Density= 0.108155 ETOT(band)= -0.116545 trlgG= -0.146831 logG= -0.028906 TDE= -0.171446 logGD-logG0= -0.004611 tlogG= -0.023209 logG= -0.027820 Density= 0.106717 ETOT(band)= -0.116626 trlgG= -0.145476 logG= -0.027820 TDE= -0.170466 logGD-logG0= -0.004534 tlogG= -0.024049 logG= -0.028583 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106371 ETOT(band)= -0.117157 trlgG= -0.146805 logG= -0.028583 TDE= -0.170859 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.023954 logG= -0.029079 logGD-logG0= -0.009832 tlogG= -0.045657 logG= -0.055489 Density= 0.108205 ETOT(band)= -0.116620 trlgG= -0.147110 logG= -0.029079 TDE= -0.171576 Density= 0.215109 ETOT(band)= -0.232391 trlgG= -0.290018 logG= -0.055489 TDE= -0.340976 logGD-logG0= -0.009788 tlogG= -0.047162 logG= -0.056951 logGD-logG0= -0.005310 tlogG= -0.024137 logG= -0.029446 Density= 0.107789 ETOT(band)= -0.117068 trlgG= -0.147713 logG= -0.029446 TDE= -0.171606 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213741 ETOT(band)= -0.233795 trlgG= -0.292633 logG= -0.056951 TDE= -0.341452 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024096 logG= -0.029078 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107359 ETOT(band)= -0.117037 trlgG= -0.147145 logG= -0.029078 TDE= -0.171194 logGD-logG0= -0.005085 tlogG= -0.023219 logG= -0.028304 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108171 ETOT(band)= -0.116206 trlgG= -0.145876 logG= -0.028304 TDE= -0.171101 logGD-logG0= -0.005276 tlogG= -0.023687 logG= -0.028963 Density= 0.107211 ETOT(band)= -0.117006 trlgG= -0.146855 logG= -0.028963 TDE= -0.170945 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022412 logG= -0.027412 Density= 0.107613 ETOT(band)= -0.115968 trlgG= -0.144452 logG= -0.027412 TDE= -0.170293 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023647 logG= -0.028633 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023875 logG= -0.028988 logGD-logG0= -0.005019 tlogG= -0.022738 logG= -0.027757 logGD-logG0= -0.004819 tlogG= -0.023692 logG= -0.028510 Density= 0.108226 ETOT(band)= -0.115877 trlgG= -0.145009 logG= -0.027757 TDE= -0.170808 Density= 0.107358 ETOT(band)= -0.116727 trlgG= -0.146404 logG= -0.028510 TDE= -0.171020 Density= 0.106959 ETOT(band)= -0.116935 trlgG= -0.146304 logG= -0.028633 TDE= -0.170599 Density= 0.108226 ETOT(band)= -0.116556 trlgG= -0.146961 logG= -0.028988 TDE= -0.171529 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023906 logG= -0.029206 logGD-logG0= -0.005277 tlogG= -0.024091 logG= -0.029367 Density= 0.107866 ETOT(band)= -0.116980 trlgG= -0.147588 logG= -0.029367 TDE= -0.171598 logGD-logG0= -0.004852 tlogG= -0.022853 logG= -0.027705 logGD-logG0= -0.004668 tlogG= -0.023672 logG= -0.028340 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107730 ETOT(band)= -0.116938 trlgG= -0.147309 logG= -0.029206 TDE= -0.171413 Density= 0.106580 ETOT(band)= -0.116963 trlgG= -0.146389 logG= -0.028340 TDE= -0.170790 logGD-logG0= -0.005218 tlogG= -0.023970 logG= -0.029189 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.024072 logG= -0.028942 Density= 0.107037 ETOT(band)= -0.117099 trlgG= -0.147171 logG= -0.028942 TDE= -0.171196 Density= 0.107423 ETOT(band)= -0.117059 trlgG= -0.147250 logG= -0.029189 TDE= -0.171220 logGD-logG0= -0.005099 tlogG= -0.022879 logG= -0.027978 Density= 0.107595 ETOT(band)= -0.116301 trlgG= -0.145348 logG= -0.027978 TDE= -0.170614 Density= 0.107726 ETOT(band)= -0.116096 trlgG= -0.144936 logG= -0.027705 TDE= -0.170540 logGD-logG0= -0.004697 tlogG= -0.022993 logG= -0.027690 Density= 0.106853 ETOT(band)= -0.116495 trlgG= -0.145214 logG= -0.027690 TDE= -0.170400 logGD-logG0= -0.004697 tlogG= -0.023690 logG= -0.028387 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023503 logG= -0.028226 Density= 0.106755 ETOT(band)= -0.116817 trlgG= -0.145960 logG= -0.028226 TDE= -0.170561 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106957 ETOT(band)= -0.116846 trlgG= -0.146494 logG= -0.028387 TDE= -0.171035 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.023896 logG= -0.028789 Density= 0.106738 ETOT(band)= -0.117118 trlgG= -0.146916 logG= -0.028789 TDE= -0.170947 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004729 tlogG= -0.022856 logG= -0.027584 logGD-logG0= -0.005290 tlogG= -0.023200 logG= -0.028490 Density= 0.107661 ETOT(band)= -0.116549 trlgG= -0.146158 logG= -0.028490 TDE= -0.170944 logGD-logG0= -0.005252 tlogG= -0.024062 logG= -0.029314 Density= 0.107277 ETOT(band)= -0.116241 trlgG= -0.145062 logG= -0.027584 TDE= -0.170564 Density= 0.107925 ETOT(band)= -0.116913 trlgG= -0.147499 logG= -0.029314 TDE= -0.171592 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009762 tlogG= -0.048251 logG= -0.058013 Density= 0.214363 ETOT(band)= -0.234156 trlgG= -0.294417 logG= -0.058013 TDE= -0.342482 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.021879 logG= -0.026855 Density= 0.108300 ETOT(band)= -0.115250 trlgG= -0.143517 logG= -0.026855 TDE= -0.170254 logGD-logG0= -0.009447 tlogG= -0.045768 logG= -0.055215 Density= 0.214977 ETOT(band)= -0.232315 trlgG= -0.290026 logG= -0.055215 TDE= -0.341192 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005300 tlogG= -0.023583 logG= -0.028884 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107778 ETOT(band)= -0.116710 trlgG= -0.146788 logG= -0.028884 TDE= -0.171238 logGD-logG0= -0.002396 tlogG= -0.010428 logG= -0.012824 logGD-logG0= -0.009086 tlogG= -0.047638 logG= -0.056724 Density= 0.054366 ETOT(band)= -0.057075 trlgG= -0.070701 logG= -0.012824 TDE= -0.084780 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212891 ETOT(band)= -0.234050 trlgG= -0.292912 logG= -0.056724 TDE= -0.341536 logGD-logG0= -0.009515 tlogG= -0.047938 logG= -0.057453 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213237 ETOT(band)= -0.234259 trlgG= -0.293556 logG= -0.057453 TDE= -0.341623 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.048089 logG= -0.058527 logGD-logG0= -0.009628 tlogG= -0.047167 logG= -0.056795 Density= 0.215030 ETOT(band)= -0.234134 trlgG= -0.294764 logG= -0.058527 TDE= -0.342645 logGD-logG0= -0.010483 tlogG= -0.047755 logG= -0.058238 Density= 0.214717 ETOT(band)= -0.234080 trlgG= -0.294253 logG= -0.058238 TDE= -0.342268 Density= 0.213730 ETOT(band)= -0.233750 trlgG= -0.292841 logG= -0.056795 TDE= -0.341811 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.048036 logG= -0.058067 Density= 0.214493 ETOT(band)= -0.234103 trlgG= -0.294167 logG= -0.058067 TDE= -0.342241 logGD-logG0= -0.010286 tlogG= -0.047988 logG= -0.058274 Density= 0.215033 ETOT(band)= -0.233989 trlgG= -0.294348 logG= -0.058274 TDE= -0.342483 logGD-logG0= -0.010148 tlogG= -0.047668 logG= -0.057816 Density= 0.213912 ETOT(band)= -0.234182 trlgG= -0.293858 logG= -0.057816 TDE= -0.341896 logGD-logG0= -0.010348 tlogG= -0.047794 logG= -0.058142 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214617 ETOT(band)= -0.234074 trlgG= -0.294084 logG= -0.058142 TDE= -0.342145 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009908 tlogG= -0.047908 logG= -0.057815 Density= 0.213932 ETOT(band)= -0.234195 trlgG= -0.294105 logG= -0.057815 TDE= -0.342154 logGD-logG0= -0.010519 tlogG= -0.048023 logG= -0.058542 Density= 0.215067 ETOT(band)= -0.234125 trlgG= -0.294791 logG= -0.058542 TDE= -0.342675 logGD-logG0= -0.010576 tlogG= -0.047536 logG= -0.058112 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215657 ETOT(band)= -0.233580 trlgG= -0.294137 logG= -0.058112 TDE= -0.342743 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010632 tlogG= -0.048154 logG= -0.058786 logGD-logG0= -0.001686 tlogG= -0.007306 logG= -0.008992 Density= 0.035837 ETOT(band)= -0.038577 trlgG= -0.047913 logG= -0.008992 TDE= -0.056655 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215382 ETOT(band)= -0.234150 trlgG= -0.295229 logG= -0.058786 TDE= -0.343025 logGD-logG0= -0.010375 tlogG= -0.047317 logG= -0.057691 Density= 0.214223 ETOT(band)= -0.233975 trlgG= -0.293335 logG= -0.057691 TDE= -0.341652 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010145 tlogG= -0.046420 logG= -0.056565 Density= 0.215175 ETOT(band)= -0.232954 trlgG= -0.291652 logG= -0.056565 TDE= -0.341566 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010541 tlogG= -0.047430 logG= -0.057971 logGD-logG0= -0.010501 tlogG= -0.047949 logG= -0.058450 Density= 0.215426 ETOT(band)= -0.233621 trlgG= -0.293896 logG= -0.057971 TDE= -0.342529 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215853 ETOT(band)= -0.233697 trlgG= -0.294700 logG= -0.058450 TDE= -0.343064 logGD-logG0= -0.010556 tlogG= -0.047898 logG= -0.058454 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215725 ETOT(band)= -0.233769 trlgG= -0.294701 logG= -0.058454 TDE= -0.342999 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.046887 logG= -0.057471 Density= 0.215388 ETOT(band)= -0.233344 trlgG= -0.293096 logG= -0.057471 TDE= -0.342209 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005092 tlogG= -0.022986 logG= -0.028078 logGD-logG0= -0.009755 tlogG= -0.047232 logG= -0.056987 Density= 0.108112 ETOT(band)= -0.116113 trlgG= -0.145521 logG= -0.028078 TDE= -0.170942 Density= 0.214438 ETOT(band)= -0.233542 trlgG= -0.292746 logG= -0.056987 TDE= -0.341873 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010056 tlogG= -0.047160 logG= -0.057217 Density= 0.215110 ETOT(band)= -0.233355 trlgG= -0.292669 logG= -0.057217 TDE= -0.341900 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009988 tlogG= -0.043397 logG= -0.053385 Density= 0.216232 ETOT(band)= -0.230483 trlgG= -0.286513 logG= -0.053385 TDE= -0.340130 logGD-logG0= -0.004890 tlogG= -0.021568 logG= -0.026458 Density= 0.108490 ETOT(band)= -0.114884 trlgG= -0.142837 logG= -0.026458 TDE= -0.170066 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002456 tlogG= -0.010843 logG= -0.013299 logGD-logG0= -0.004808 tlogG= -0.020993 logG= -0.025802 Density= 0.108685 ETOT(band)= -0.114296 trlgG= -0.141681 logG= -0.025802 TDE= -0.169662 Density= 0.054052 ETOT(band)= -0.057592 trlgG= -0.071547 logG= -0.013299 TDE= -0.084995 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009400 tlogG= -0.047455 logG= -0.056855 Density= 0.214273 ETOT(band)= -0.233580 trlgG= -0.292972 logG= -0.056855 TDE= -0.342150 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005056 tlogG= -0.021822 logG= -0.026878 Density= 0.107767 ETOT(band)= -0.115540 trlgG= -0.143578 logG= -0.026878 TDE= -0.170028 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004997 tlogG= -0.021698 logG= -0.026695 Density= 0.107909 ETOT(band)= -0.115347 trlgG= -0.143268 logG= -0.026695 TDE= -0.169972 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001619 tlogG= -0.006993 logG= -0.008612 Density= 0.036188 ETOT(band)= -0.038128 trlgG= -0.047252 logG= -0.008612 TDE= -0.056548 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001428 tlogG= -0.007967 logG= -0.009394 Density= 0.070855 ETOT(band)= -0.077954 trlgG= -0.097462 logG= -0.009394 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024135 logG= -0.028419 Density= 0.212140 ETOT(band)= -0.234388 trlgG= -0.293714 logG= -0.028419 TDE= -0.170973 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 Density= 0.080816 ETOT(band)= -0.087652 trlgG= -0.110375 logG= -0.007213 TDE= -0.042865 logGD-logG0= -0.001269 tlogG= -0.005856 logG= -0.007125 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080633 ETOT(band)= -0.087617 trlgG= -0.110177 logG= -0.007125 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004417 tlogG= -0.023743 logG= -0.028160 Density= 0.213051 ETOT(band)= -0.233600 trlgG= -0.291792 logG= -0.028160 TDE= -0.170775 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023590 logG= -0.028062 Density= 0.212585 ETOT(band)= -0.234007 trlgG= -0.292766 logG= -0.028062 TDE= -0.170690 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005985 logG= -0.007256 Density= 0.081044 ETOT(band)= -0.087555 trlgG= -0.110428 logG= -0.007256 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023766 logG= -0.028950 Density= 0.216234 ETOT(band)= -0.233049 trlgG= -0.293443 logG= -0.028950 TDE= -0.171423 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005620 logG= -0.006854 Density= 0.080822 ETOT(band)= -0.086973 trlgG= -0.108620 logG= -0.006854 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080621 ETOT(band)= -0.087402 trlgG= -0.109622 logG= -0.007003 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.023902 logG= -0.029251 Density= 0.215603 ETOT(band)= -0.233772 trlgG= -0.294583 logG= -0.029251 TDE= -0.171430 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023960 logG= -0.029125 logGD-logG0= -0.005002 tlogG= -0.024160 logG= -0.029162 Density= 0.214702 ETOT(band)= -0.234180 trlgG= -0.294557 logG= -0.029162 TDE= -0.171232 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216344 ETOT(band)= -0.233247 trlgG= -0.294148 logG= -0.029125 TDE= -0.171564 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009415 tlogG= -0.046720 logG= -0.056135 Density= 0.427817 ETOT(band)= -0.466158 trlgG= -0.581903 logG= -0.056135 TDE= -0.341211 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021305 logG= -0.026196 Density= 0.162613 ETOT(band)= -0.172996 trlgG= -0.215941 logG= -0.026196 TDE= -0.169878 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001182 tlogG= -0.005172 logG= -0.006355 logGD-logG0= -0.008926 tlogG= -0.048102 logG= -0.057028 Density= 0.425466 ETOT(band)= -0.468369 trlgG= -0.586517 logG= -0.057028 TDE= -0.341770 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024005 logG= -0.029213 logGD-logG0= -0.004587 tlogG= -0.023893 logG= -0.028480 Density= 0.213246 ETOT(band)= -0.233875 trlgG= -0.292522 logG= -0.028480 TDE= -0.170779 logGD-logG0= -0.005397 tlogG= -0.023688 logG= -0.029085 Density= 0.215366 ETOT(band)= -0.233624 trlgG= -0.293885 logG= -0.029085 TDE= -0.171252 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215644 ETOT(band)= -0.233869 trlgG= -0.294855 logG= -0.029213 TDE= -0.171574 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062529 ETOT(band)= -0.067549 trlgG= -0.084217 logG= -0.006355 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009616 tlogG= -0.047658 logG= -0.057274 Density= 0.426601 ETOT(band)= -0.468396 trlgG= -0.587036 logG= -0.057274 TDE= -0.341789 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022909 logG= -0.027860 Density= 0.214757 ETOT(band)= -0.232414 trlgG= -0.289720 logG= -0.027860 TDE= -0.170428 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046408 logG= -0.056306 Density= 0.429451 ETOT(band)= -0.465586 trlgG= -0.581580 logG= -0.056306 TDE= -0.341323 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081540 ETOT(band)= -0.085692 trlgG= -0.106223 logG= -0.006509 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005242 tlogG= -0.023803 logG= -0.029044 Density= 0.215293 ETOT(band)= -0.233775 trlgG= -0.294200 logG= -0.029044 TDE= -0.171421 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001567 tlogG= -0.007589 logG= -0.009156 Density= 0.071484 ETOT(band)= -0.077352 trlgG= -0.096165 logG= -0.009156 TDE= -0.056736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009570 tlogG= -0.047777 logG= -0.057347 Density= 0.427103 ETOT(band)= -0.467946 trlgG= -0.585888 logG= -0.057347 TDE= -0.341491 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009934 tlogG= -0.044630 logG= -0.054564 Density= 0.324220 ETOT(band)= -0.346696 trlgG= -0.432004 logG= -0.054564 TDE= -0.340772 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023486 logG= -0.028721 Density= 0.215174 ETOT(band)= -0.233340 trlgG= -0.292937 logG= -0.028721 TDE= -0.171164 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004756 tlogG= -0.024009 logG= -0.028765 Density= 0.321509 ETOT(band)= -0.351127 trlgG= -0.441382 logG= -0.028765 TDE= -0.171221 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006875 logG= -0.008451 Density= 0.040839 ETOT(band)= -0.042676 trlgG= -0.052804 logG= -0.008451 TDE= -0.056462 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005172 tlogG= -0.024003 logG= -0.029175 Density= 0.216310 ETOT(band)= -0.233351 trlgG= -0.294380 logG= -0.029175 TDE= -0.171591 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.023849 logG= -0.028907 Density= 0.215454 ETOT(band)= -0.233771 trlgG= -0.294304 logG= -0.028907 TDE= -0.171109 logGD-logG0= -0.005101 tlogG= -0.022443 logG= -0.027545 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024166 logG= -0.029193 Density= 0.322380 ETOT(band)= -0.351240 trlgG= -0.442062 logG= -0.029193 TDE= -0.171227 Density= 0.216326 ETOT(band)= -0.231298 trlgG= -0.288634 logG= -0.027545 TDE= -0.170563 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010142 tlogG= -0.045637 logG= -0.055780 Density= 0.323980 ETOT(band)= -0.347965 trlgG= -0.435014 logG= -0.055780 TDE= -0.341449 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023960 logG= -0.029022 Density= 0.214301 ETOT(band)= -0.234108 trlgG= -0.293942 logG= -0.029022 TDE= -0.171059 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023419 logG= -0.028610 logGD-logG0= -0.005232 tlogG= -0.024088 logG= -0.029320 Density= 0.323000 ETOT(band)= -0.351212 trlgG= -0.442713 logG= -0.029320 TDE= -0.171420 Density= 0.216154 ETOT(band)= -0.232670 trlgG= -0.292235 logG= -0.028610 TDE= -0.171185 logGD-logG0= -0.004561 tlogG= -0.023976 logG= -0.028537 logGD-logG0= -0.005163 tlogG= -0.022972 logG= -0.028135 Density= 0.216181 ETOT(band)= -0.232096 trlgG= -0.290620 logG= -0.028135 TDE= -0.170897 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047243 logG= -0.057661 logGD-logG0= -0.005301 tlogG= -0.024125 logG= -0.029427 Density= 0.324067 ETOT(band)= -0.349565 trlgG= -0.439720 logG= -0.057661 TDE= -0.342630 Density= 0.215676 ETOT(band)= -0.234025 trlgG= -0.295270 logG= -0.029427 TDE= -0.171606 Density= 0.212774 ETOT(band)= -0.234285 trlgG= -0.293515 logG= -0.028537 TDE= -0.170827 logGD-logG0= -0.005013 tlogG= -0.023248 logG= -0.028261 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321645 ETOT(band)= -0.350586 trlgG= -0.439658 logG= -0.028261 TDE= -0.170851 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.047793 logG= -0.058166 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.022477 logG= -0.027377 Density= 0.214981 ETOT(band)= -0.231678 trlgG= -0.288076 logG= -0.027377 TDE= -0.170176 Density= 0.324283 ETOT(band)= -0.349932 trlgG= -0.441068 logG= -0.058166 TDE= -0.343022 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.023886 logG= -0.028787 Density= 0.213751 ETOT(band)= -0.234023 trlgG= -0.293033 logG= -0.028787 TDE= -0.170789 logGD-logG0= -0.010657 tlogG= -0.048048 logG= -0.058704 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323185 ETOT(band)= -0.351004 trlgG= -0.442410 logG= -0.058704 TDE= -0.343015 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.024010 logG= -0.028733 Density= 0.214084 ETOT(band)= -0.234099 trlgG= -0.294158 logG= -0.028733 TDE= -0.171226 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023248 logG= -0.028014 Density= 0.213463 ETOT(band)= -0.233628 trlgG= -0.292253 logG= -0.028014 TDE= -0.170740 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023840 logG= -0.028658 Density= 0.213537 ETOT(band)= -0.234161 trlgG= -0.293769 logG= -0.028658 TDE= -0.171044 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009649 tlogG= -0.046612 logG= -0.056262 Density= 0.322645 ETOT(band)= -0.349034 trlgG= -0.436448 logG= -0.056262 TDE= -0.341602 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023198 logG= -0.028351 Density= 0.214828 ETOT(band)= -0.232968 trlgG= -0.291250 logG= -0.028351 TDE= -0.170615 logGD-logG0= -0.004635 tlogG= -0.023374 logG= -0.028009 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214146 ETOT(band)= -0.233386 trlgG= -0.292365 logG= -0.028009 TDE= -0.170904 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023358 logG= -0.028777 Density= 0.215066 ETOT(band)= -0.233367 trlgG= -0.292745 logG= -0.028777 TDE= -0.170959 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023961 logG= -0.029295 Density= 0.323596 ETOT(band)= -0.350677 trlgG= -0.442156 logG= -0.029295 TDE= -0.171478 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048156 logG= -0.058266 Density= 0.429222 ETOT(band)= -0.468294 trlgG= -0.588676 logG= -0.058266 TDE= -0.342304 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.022296 logG= -0.027227 Density= 0.214221 ETOT(band)= -0.232456 trlgG= -0.289473 logG= -0.027227 TDE= -0.170163 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010279 tlogG= -0.047964 logG= -0.058243 Density= 0.429126 ETOT(band)= -0.468255 trlgG= -0.588321 logG= -0.058243 TDE= -0.342144 logGD-logG0= -0.010221 tlogG= -0.047675 logG= -0.057897 logGD-logG0= -0.010622 tlogG= -0.047737 logG= -0.058359 logGD-logG0= -0.009783 tlogG= -0.047861 logG= -0.057643 Density= 0.429058 ETOT(band)= -0.467957 trlgG= -0.587877 logG= -0.057643 TDE= -0.342244 Density= 0.428215 ETOT(band)= -0.468166 trlgG= -0.587236 logG= -0.057897 TDE= -0.341898 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010725 tlogG= -0.047700 logG= -0.058425 Density= 0.430667 ETOT(band)= -0.467551 trlgG= -0.588404 logG= -0.058359 TDE= -0.342661 logGD-logG0= -0.005063 tlogG= -0.021883 logG= -0.026946 Density= 0.216581 ETOT(band)= -0.230301 trlgG= -0.286518 logG= -0.026946 TDE= -0.170223 logGD-logG0= -0.009607 tlogG= -0.047846 logG= -0.057454 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427963 ETOT(band)= -0.468182 trlgG= -0.587903 logG= -0.057454 TDE= -0.342257 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431007 ETOT(band)= -0.467494 trlgG= -0.588764 logG= -0.058425 TDE= -0.342768 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.048078 logG= -0.058532 Density= 0.430063 ETOT(band)= -0.468127 trlgG= -0.589116 logG= -0.058532 TDE= -0.342644 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.048229 logG= -0.058472 Density= 0.429956 ETOT(band)= -0.468297 trlgG= -0.589444 logG= -0.058472 TDE= -0.342519 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009469 tlogG= -0.046614 logG= -0.056084 Density= 0.428022 ETOT(band)= -0.466879 trlgG= -0.584510 logG= -0.056084 TDE= -0.341627 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.046938 logG= -0.057220 Density= 0.429799 ETOT(band)= -0.466501 trlgG= -0.584278 logG= -0.057220 TDE= -0.341612 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010649 tlogG= -0.048025 logG= -0.058674 Density= 0.431247 ETOT(band)= -0.467776 trlgG= -0.589757 logG= -0.058674 TDE= -0.343033 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004667 tlogG= -0.023371 logG= -0.028038 logGD-logG0= -0.009964 tlogG= -0.047566 logG= -0.057530 Density= 0.321579 ETOT(band)= -0.350079 trlgG= -0.438806 logG= -0.028038 TDE= -0.170896 Density= 0.428531 ETOT(band)= -0.467510 trlgG= -0.586275 logG= -0.057530 TDE= -0.341943 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010207 tlogG= -0.047577 logG= -0.057784 Density= 0.429928 ETOT(band)= -0.467148 trlgG= -0.586208 logG= -0.057784 TDE= -0.342057 logGD-logG0= -0.010681 tlogG= -0.047276 logG= -0.057957 Density= 0.430398 ETOT(band)= -0.467127 trlgG= -0.586932 logG= -0.057957 TDE= -0.342277 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.046422 logG= -0.056838 Density= 0.323932 ETOT(band)= -0.348909 trlgG= -0.437633 logG= -0.056838 TDE= -0.342073 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.022331 logG= -0.027149 Density= 0.322810 ETOT(band)= -0.348002 trlgG= -0.434058 logG= -0.027149 TDE= -0.170244 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009783 tlogG= -0.044632 logG= -0.054415 Density= 0.431520 ETOT(band)= -0.462112 trlgG= -0.574801 logG= -0.054415 TDE= -0.340408 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021210 logG= -0.026142 Density= 0.216300 ETOT(band)= -0.230054 trlgG= -0.285571 logG= -0.026142 TDE= -0.169798 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021355 logG= -0.026328 Density= 0.216973 ETOT(band)= -0.229193 trlgG= -0.284314 logG= -0.026328 TDE= -0.169891 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004778 tlogG= -0.022330 logG= -0.027108 Density= 0.214987 ETOT(band)= -0.231967 trlgG= -0.289120 logG= -0.027108 TDE= -0.170250 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006689 Density= 0.081183 ETOT(band)= -0.086360 trlgG= -0.107382 logG= -0.006689 TDE= -0.042572 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001688 tlogG= -0.007118 logG= -0.008806 Density= 0.072214 ETOT(band)= -0.076484 trlgG= -0.094852 logG= -0.008806 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.838803915323 eV TrLogG= -407.284102876693 eV Ratio to renormalize= 1.000218180765 rho-rho_expected=-0.004798929799 nargs= 1 argi=dmft2.def 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964634050354634 0.940366853059221 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001401 tlogG= -0.008045 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048974 logG= -0.009447 TDE= -0.057000 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024055 logG= -0.028365 Density= 0.106101 ETOT(band)= -0.117170 trlgG= -0.146797 logG= -0.028365 TDE= -0.170935 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004337 tlogG= -0.023978 logG= -0.028315 Density= 0.106153 ETOT(band)= -0.117126 trlgG= -0.146683 logG= -0.028315 TDE= -0.170898 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022412 logG= -0.027412 Density= 0.107613 ETOT(band)= -0.115968 trlgG= -0.144454 logG= -0.027412 TDE= -0.170294 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023504 logG= -0.028227 Density= 0.106755 ETOT(band)= -0.116818 trlgG= -0.145961 logG= -0.028227 TDE= -0.170562 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012034 logG= -0.014631 Density= 0.053752 ETOT(band)= -0.058536 trlgG= -0.073690 logG= -0.014631 TDE= -0.085658 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002553 tlogG= -0.011986 logG= -0.014539 logGD-logG0= -0.004889 tlogG= -0.021569 logG= -0.026458 Density= 0.108490 ETOT(band)= -0.114884 trlgG= -0.142838 logG= -0.026458 TDE= -0.170067 Density= 0.054126 ETOT(band)= -0.058298 trlgG= -0.073553 logG= -0.014539 TDE= -0.085799 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004808 tlogG= -0.020994 logG= -0.025802 Density= 0.108686 ETOT(band)= -0.114297 trlgG= -0.141682 logG= -0.025802 TDE= -0.169663 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005113 tlogG= -0.023875 logG= -0.028988 Density= 0.108226 ETOT(band)= -0.116556 trlgG= -0.146962 logG= -0.028988 TDE= -0.171530 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023971 logG= -0.029189 Density= 0.107424 ETOT(band)= -0.117059 trlgG= -0.147251 logG= -0.029189 TDE= -0.171221 logGD-logG0= -0.004997 tlogG= -0.021699 logG= -0.026695 Density= 0.107909 ETOT(band)= -0.115348 trlgG= -0.143270 logG= -0.026695 TDE= -0.169973 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005263 tlogG= -0.023874 logG= -0.029137 Density= 0.107894 ETOT(band)= -0.116807 trlgG= -0.147204 logG= -0.029137 TDE= -0.171458 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004534 tlogG= -0.024049 logG= -0.028583 Density= 0.106371 ETOT(band)= -0.117158 trlgG= -0.146806 logG= -0.028583 TDE= -0.170861 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009788 tlogG= -0.047163 logG= -0.056951 Density= 0.213741 ETOT(band)= -0.233796 trlgG= -0.292636 logG= -0.056951 TDE= -0.341454 logGD-logG0= -0.009727 tlogG= -0.045599 logG= -0.055326 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214324 ETOT(band)= -0.232668 trlgG= -0.290206 logG= -0.055326 TDE= -0.340939 logGD-logG0= -0.004987 tlogG= -0.023647 logG= -0.028634 logGD-logG0= -0.005084 tlogG= -0.023220 logG= -0.028304 Density= 0.108171 ETOT(band)= -0.116207 trlgG= -0.145878 logG= -0.028304 TDE= -0.171102 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106959 ETOT(band)= -0.116936 trlgG= -0.146305 logG= -0.028634 TDE= -0.170601 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.022879 logG= -0.027978 logGD-logG0= -0.005019 tlogG= -0.022738 logG= -0.027757 Density= 0.107595 ETOT(band)= -0.116302 trlgG= -0.145350 logG= -0.027978 TDE= -0.170615 logGD-logG0= -0.009831 tlogG= -0.045658 logG= -0.055489 logGD-logG0= -0.004668 tlogG= -0.023672 logG= -0.028341 Density= 0.108226 ETOT(band)= -0.115877 trlgG= -0.145011 logG= -0.027757 TDE= -0.170809 Density= 0.215109 ETOT(band)= -0.232393 trlgG= -0.290021 logG= -0.055489 TDE= -0.340978 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.023897 logG= -0.028789 Density= 0.106580 ETOT(band)= -0.116964 trlgG= -0.146390 logG= -0.028341 TDE= -0.170791 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106739 ETOT(band)= -0.117119 trlgG= -0.146918 logG= -0.028789 TDE= -0.170948 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004729 tlogG= -0.022856 logG= -0.027585 Density= 0.107277 ETOT(band)= -0.116242 trlgG= -0.145063 logG= -0.027585 TDE= -0.170565 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007052 logGD-logG0= -0.002319 tlogG= -0.011885 logG= -0.014205 logGD-logG0= -0.002415 tlogG= -0.012084 logG= -0.014498 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.053575 ETOT(band)= -0.058547 trlgG= -0.073632 logG= -0.014498 TDE= -0.085645 Density= 0.053552 ETOT(band)= -0.058403 trlgG= -0.073270 logG= -0.014205 TDE= -0.085565 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007812 logG= -0.009294 Density= 0.035486 ETOT(band)= -0.038927 trlgG= -0.048610 logG= -0.009294 TDE= -0.056876 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002326 tlogG= -0.011450 logG= -0.013776 Density= 0.053726 ETOT(band)= -0.058073 trlgG= -0.072506 logG= -0.013776 TDE= -0.085316 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023768 logG= -0.028906 Density= 0.108155 ETOT(band)= -0.116546 trlgG= -0.146833 logG= -0.028906 TDE= -0.171447 logGD-logG0= -0.005268 tlogG= -0.024075 logG= -0.029343 Density= 0.107622 ETOT(band)= -0.117073 trlgG= -0.147525 logG= -0.029343 TDE= -0.171439 logGD-logG0= -0.005023 tlogG= -0.022461 logG= -0.027485 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108181 ETOT(band)= -0.115741 trlgG= -0.144574 logG= -0.027485 TDE= -0.170623 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023954 logG= -0.029080 logGD-logG0= -0.005092 tlogG= -0.022987 logG= -0.028078 Density= 0.108205 ETOT(band)= -0.116621 trlgG= -0.147111 logG= -0.029080 TDE= -0.171577 Density= 0.108113 ETOT(band)= -0.116114 trlgG= -0.145522 logG= -0.028078 TDE= -0.170943 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023434 logG= -0.028568 Density= 0.108108 ETOT(band)= -0.116384 trlgG= -0.146296 logG= -0.028568 TDE= -0.171226 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002622 tlogG= -0.011990 logG= -0.014612 logGD-logG0= -0.004941 tlogG= -0.022174 logG= -0.027114 Density= 0.053972 ETOT(band)= -0.058419 trlgG= -0.073674 logG= -0.014612 TDE= -0.085770 Density= 0.108336 ETOT(band)= -0.115435 trlgG= -0.143967 logG= -0.027114 TDE= -0.170462 logGD-logG0= -0.004819 tlogG= -0.023692 logG= -0.028511 Density= 0.107359 ETOT(band)= -0.116727 trlgG= -0.146405 logG= -0.028511 TDE= -0.171021 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023688 logG= -0.028963 logGD-logG0= -0.005115 tlogG= -0.023609 logG= -0.028724 Density= 0.107212 ETOT(band)= -0.117007 trlgG= -0.146856 logG= -0.028963 TDE= -0.170947 Density= 0.108181 ETOT(band)= -0.116430 trlgG= -0.146541 logG= -0.028724 TDE= -0.171350 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.022993 logG= -0.027691 Density= 0.106853 ETOT(band)= -0.116495 trlgG= -0.145215 logG= -0.027691 TDE= -0.170401 logGD-logG0= -0.005277 tlogG= -0.024091 logG= -0.029368 Density= 0.107866 ETOT(band)= -0.116981 trlgG= -0.147589 logG= -0.029368 TDE= -0.171599 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023906 logG= -0.029206 Density= 0.107730 ETOT(band)= -0.116939 trlgG= -0.147310 logG= -0.029206 TDE= -0.171414 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023690 logG= -0.028387 Density= 0.106957 ETOT(band)= -0.116847 trlgG= -0.146496 logG= -0.028387 TDE= -0.171036 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022854 logG= -0.027705 Density= 0.107726 ETOT(band)= -0.116097 trlgG= -0.144938 logG= -0.027705 TDE= -0.170541 logGD-logG0= -0.005310 tlogG= -0.024137 logG= -0.029447 Density= 0.107790 ETOT(band)= -0.117069 trlgG= -0.147714 logG= -0.029447 TDE= -0.171607 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.023200 logG= -0.028490 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024096 logG= -0.029079 Density= 0.107662 ETOT(band)= -0.116550 trlgG= -0.146159 logG= -0.028490 TDE= -0.170945 Density= 0.107360 ETOT(band)= -0.117038 trlgG= -0.147147 logG= -0.029079 TDE= -0.171195 logGD-logG0= -0.005252 tlogG= -0.024062 logG= -0.029314 Density= 0.107925 ETOT(band)= -0.116913 trlgG= -0.147501 logG= -0.029314 TDE= -0.171593 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004870 tlogG= -0.024073 logG= -0.028943 Density= 0.107037 ETOT(band)= -0.117100 trlgG= -0.147172 logG= -0.028943 TDE= -0.171197 logGD-logG0= -0.009447 tlogG= -0.045769 logG= -0.055216 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214978 ETOT(band)= -0.232317 trlgG= -0.290029 logG= -0.055216 TDE= -0.341194 logGD-logG0= -0.005300 tlogG= -0.023584 logG= -0.028884 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009086 tlogG= -0.047639 logG= -0.056725 Density= 0.212891 ETOT(band)= -0.234052 trlgG= -0.292914 logG= -0.056725 TDE= -0.341538 logGD-logG0= -0.009761 tlogG= -0.048252 logG= -0.058013 Density= 0.107778 ETOT(band)= -0.116711 trlgG= -0.146789 logG= -0.028884 TDE= -0.171239 Density= 0.214364 ETOT(band)= -0.234158 trlgG= -0.294420 logG= -0.058013 TDE= -0.342484 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009628 tlogG= -0.047167 logG= -0.056795 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213730 ETOT(band)= -0.233752 trlgG= -0.292844 logG= -0.056795 TDE= -0.341813 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.047755 logG= -0.058238 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214718 ETOT(band)= -0.234082 trlgG= -0.294256 logG= -0.058238 TDE= -0.342270 logGD-logG0= -0.009907 tlogG= -0.047908 logG= -0.057816 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009515 tlogG= -0.047939 logG= -0.057454 Density= 0.213932 ETOT(band)= -0.234196 trlgG= -0.294108 logG= -0.057816 TDE= -0.342156 Density= 0.213238 ETOT(band)= -0.234261 trlgG= -0.293559 logG= -0.057454 TDE= -0.341626 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009400 tlogG= -0.047455 logG= -0.056856 Density= 0.214274 ETOT(band)= -0.233582 trlgG= -0.292974 logG= -0.056856 TDE= -0.342152 logGD-logG0= -0.010438 tlogG= -0.048090 logG= -0.058528 Density= 0.215031 ETOT(band)= -0.234135 trlgG= -0.294767 logG= -0.058528 TDE= -0.342647 logGD-logG0= -0.010286 tlogG= -0.047988 logG= -0.058275 logGD-logG0= -0.010347 tlogG= -0.047795 logG= -0.058143 Density= 0.215034 ETOT(band)= -0.233990 trlgG= -0.294350 logG= -0.058275 TDE= -0.342485 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214617 ETOT(band)= -0.234076 trlgG= -0.294086 logG= -0.058143 TDE= -0.342147 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023209 logG= -0.027820 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106718 ETOT(band)= -0.116627 trlgG= -0.145477 logG= -0.027820 TDE= -0.170467 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010031 tlogG= -0.048037 logG= -0.058068 logGD-logG0= -0.001619 tlogG= -0.006993 logG= -0.008612 Density= 0.036188 ETOT(band)= -0.038129 trlgG= -0.047253 logG= -0.008612 TDE= -0.056548 Density= 0.214493 ETOT(band)= -0.234105 trlgG= -0.294169 logG= -0.058068 TDE= -0.342243 logGD-logG0= -0.010501 tlogG= -0.047950 logG= -0.058451 logGD-logG0= -0.001686 tlogG= -0.007306 logG= -0.008992 Density= 0.035837 ETOT(band)= -0.038578 trlgG= -0.047913 logG= -0.008992 TDE= -0.056655 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215853 ETOT(band)= -0.233698 trlgG= -0.294702 logG= -0.058451 TDE= -0.343066 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010575 tlogG= -0.047537 logG= -0.058113 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002395 tlogG= -0.010428 logG= -0.012824 Density= 0.054366 ETOT(band)= -0.057075 trlgG= -0.070701 logG= -0.012824 TDE= -0.084780 logGD-logG0= -0.010148 tlogG= -0.047669 logG= -0.057816 Density= 0.213913 ETOT(band)= -0.234184 trlgG= -0.293860 logG= -0.057816 TDE= -0.341899 logGD-logG0= -0.010632 tlogG= -0.048155 logG= -0.058786 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010374 tlogG= -0.047317 logG= -0.057692 Density= 0.214224 ETOT(band)= -0.233976 trlgG= -0.293337 logG= -0.057692 TDE= -0.341654 logGD-logG0= -0.010519 tlogG= -0.048024 logG= -0.058543 Density= 0.215068 ETOT(band)= -0.234126 trlgG= -0.294794 logG= -0.058543 TDE= -0.342677 Density= 0.215383 ETOT(band)= -0.234152 trlgG= -0.295231 logG= -0.058786 TDE= -0.343027 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215658 ETOT(band)= -0.233582 trlgG= -0.294139 logG= -0.058113 TDE= -0.342745 logGD-logG0= -0.010541 tlogG= -0.047431 logG= -0.057972 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215427 ETOT(band)= -0.233622 trlgG= -0.293899 logG= -0.057972 TDE= -0.342531 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.046888 logG= -0.057472 logGD-logG0= -0.010144 tlogG= -0.046421 logG= -0.056566 Density= 0.215175 ETOT(band)= -0.232955 trlgG= -0.291655 logG= -0.056566 TDE= -0.341568 Density= 0.215388 ETOT(band)= -0.233346 trlgG= -0.293098 logG= -0.057472 TDE= -0.342212 logGD-logG0= -0.010556 tlogG= -0.047898 logG= -0.058454 Density= 0.215726 ETOT(band)= -0.233771 trlgG= -0.294704 logG= -0.058454 TDE= -0.343001 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009755 tlogG= -0.047233 logG= -0.056988 Density= 0.214439 ETOT(band)= -0.233543 trlgG= -0.292748 logG= -0.056988 TDE= -0.341875 logGD-logG0= -0.002456 tlogG= -0.010843 logG= -0.013299 Density= 0.054052 ETOT(band)= -0.057593 trlgG= -0.071547 logG= -0.013299 TDE= -0.084996 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010056 tlogG= -0.047161 logG= -0.057217 Density= 0.215111 ETOT(band)= -0.233356 trlgG= -0.292672 logG= -0.057217 TDE= -0.341902 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.021879 logG= -0.026855 Density= 0.108300 ETOT(band)= -0.115251 trlgG= -0.143518 logG= -0.026855 TDE= -0.170255 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005056 tlogG= -0.021822 logG= -0.026878 Density= 0.107767 ETOT(band)= -0.115540 trlgG= -0.143579 logG= -0.026878 TDE= -0.170029 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009987 tlogG= -0.043398 logG= -0.053385 Density= 0.216232 ETOT(band)= -0.230485 trlgG= -0.286515 logG= -0.053385 TDE= -0.340133 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004284 tlogG= -0.024135 logG= -0.028419 Density= 0.212140 ETOT(band)= -0.234390 trlgG= -0.293717 logG= -0.028419 TDE= -0.170974 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004473 tlogG= -0.023590 logG= -0.028063 Density= 0.212586 ETOT(band)= -0.234009 trlgG= -0.292769 logG= -0.028063 TDE= -0.170691 logGD-logG0= -0.001182 tlogG= -0.005172 logG= -0.006355 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062529 ETOT(band)= -0.067549 trlgG= -0.084217 logG= -0.006355 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004951 tlogG= -0.022909 logG= -0.027860 Density= 0.214757 ETOT(band)= -0.232416 trlgG= -0.289722 logG= -0.027860 TDE= -0.170429 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004587 tlogG= -0.023894 logG= -0.028481 Density= 0.213246 ETOT(band)= -0.233877 trlgG= -0.292524 logG= -0.028481 TDE= -0.170780 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.021884 logG= -0.026947 Density= 0.216581 ETOT(band)= -0.230302 trlgG= -0.286520 logG= -0.026947 TDE= -0.170224 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 Density= 0.080816 ETOT(band)= -0.087653 trlgG= -0.110376 logG= -0.007213 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004973 tlogG= -0.021355 logG= -0.026328 Density= 0.216973 ETOT(band)= -0.229194 trlgG= -0.284316 logG= -0.026328 TDE= -0.169892 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021210 logG= -0.026142 Density= 0.216301 ETOT(band)= -0.230055 trlgG= -0.285573 logG= -0.026142 TDE= -0.169799 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005164 tlogG= -0.023960 logG= -0.029125 Density= 0.216344 ETOT(band)= -0.233249 trlgG= -0.294150 logG= -0.029125 TDE= -0.171565 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024161 logG= -0.029162 Density= 0.214702 ETOT(band)= -0.234182 trlgG= -0.294560 logG= -0.029162 TDE= -0.171233 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.023902 logG= -0.029251 Density= 0.215604 ETOT(band)= -0.233773 trlgG= -0.294586 logG= -0.029251 TDE= -0.171431 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004890 tlogG= -0.021306 logG= -0.026196 Density= 0.162614 ETOT(band)= -0.172997 trlgG= -0.215943 logG= -0.026196 TDE= -0.169879 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009415 tlogG= -0.046721 logG= -0.056136 Density= 0.427817 ETOT(band)= -0.466161 trlgG= -0.581908 logG= -0.056136 TDE= -0.341213 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009570 tlogG= -0.047777 logG= -0.057347 Density= 0.427104 ETOT(band)= -0.467949 trlgG= -0.585893 logG= -0.057347 TDE= -0.341493 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046408 logG= -0.056307 Density= 0.429452 ETOT(band)= -0.465589 trlgG= -0.581584 logG= -0.056307 TDE= -0.341325 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005191 tlogG= -0.023419 logG= -0.028610 Density= 0.216154 ETOT(band)= -0.232671 trlgG= -0.292238 logG= -0.028610 TDE= -0.171186 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.023886 logG= -0.028787 logGD-logG0= -0.004561 tlogG= -0.023976 logG= -0.028538 Density= 0.212775 ETOT(band)= -0.234287 trlgG= -0.293517 logG= -0.028538 TDE= -0.170828 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213751 ETOT(band)= -0.234025 trlgG= -0.293036 logG= -0.028787 TDE= -0.170790 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022972 logG= -0.028135 Density= 0.216182 ETOT(band)= -0.232097 trlgG= -0.290622 logG= -0.028135 TDE= -0.170898 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.023840 logG= -0.028658 Density= 0.213538 ETOT(band)= -0.234163 trlgG= -0.293772 logG= -0.028658 TDE= -0.171045 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023199 logG= -0.028351 Density= 0.214828 ETOT(band)= -0.232970 trlgG= -0.291253 logG= -0.028351 TDE= -0.170616 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023248 logG= -0.028014 Density= 0.213463 ETOT(band)= -0.233630 trlgG= -0.292255 logG= -0.028014 TDE= -0.170741 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001428 tlogG= -0.007967 logG= -0.009394 Density= 0.070855 ETOT(band)= -0.077955 trlgG= -0.097463 logG= -0.009394 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.006875 logG= -0.008451 Density= 0.040839 ETOT(band)= -0.042676 trlgG= -0.052804 logG= -0.008451 TDE= -0.056462 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001567 tlogG= -0.007590 logG= -0.009156 Density= 0.071484 ETOT(band)= -0.077353 trlgG= -0.096166 logG= -0.009156 TDE= -0.056736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081540 ETOT(band)= -0.085692 trlgG= -0.106224 logG= -0.006509 TDE= -0.042461 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004417 tlogG= -0.023744 logG= -0.028161 Density= 0.213052 ETOT(band)= -0.233602 trlgG= -0.291795 logG= -0.028161 TDE= -0.170776 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.022331 logG= -0.027109 Density= 0.214988 ETOT(band)= -0.231969 trlgG= -0.289122 logG= -0.027109 TDE= -0.170251 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001688 tlogG= -0.007118 logG= -0.008806 Density= 0.072214 ETOT(band)= -0.076485 trlgG= -0.094853 logG= -0.008806 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004931 tlogG= -0.022296 logG= -0.027227 Density= 0.214222 ETOT(band)= -0.232457 trlgG= -0.289475 logG= -0.027227 TDE= -0.170164 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004900 tlogG= -0.022477 logG= -0.027377 Density= 0.214982 ETOT(band)= -0.231680 trlgG= -0.288079 logG= -0.027377 TDE= -0.170177 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080621 ETOT(band)= -0.087402 trlgG= -0.109623 logG= -0.007003 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005857 logG= -0.007125 Density= 0.080633 ETOT(band)= -0.087618 trlgG= -0.110178 logG= -0.007125 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005985 logG= -0.007257 Density= 0.081044 ETOT(band)= -0.087555 trlgG= -0.110429 logG= -0.007257 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024005 logG= -0.029213 Density= 0.215644 ETOT(band)= -0.233871 trlgG= -0.294858 logG= -0.029213 TDE= -0.171575 logGD-logG0= -0.001233 tlogG= -0.005620 logG= -0.006854 Density= 0.080822 ETOT(band)= -0.086974 trlgG= -0.108620 logG= -0.006854 TDE= -0.042669 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005235 tlogG= -0.023487 logG= -0.028722 Density= 0.215175 ETOT(band)= -0.233342 trlgG= -0.292939 logG= -0.028722 TDE= -0.171165 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.024004 logG= -0.029175 Density= 0.216311 ETOT(band)= -0.233353 trlgG= -0.294382 logG= -0.029175 TDE= -0.171592 logGD-logG0= -0.005241 tlogG= -0.023803 logG= -0.029045 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215293 ETOT(band)= -0.233777 trlgG= -0.294202 logG= -0.029045 TDE= -0.171422 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.023849 logG= -0.028907 Density= 0.215455 ETOT(band)= -0.233772 trlgG= -0.294307 logG= -0.028907 TDE= -0.171110 logGD-logG0= -0.005184 tlogG= -0.023766 logG= -0.028950 Density= 0.216234 ETOT(band)= -0.233051 trlgG= -0.293445 logG= -0.028950 TDE= -0.171424 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023961 logG= -0.029022 Density= 0.214302 ETOT(band)= -0.234110 trlgG= -0.293944 logG= -0.029022 TDE= -0.171060 logGD-logG0= -0.004756 tlogG= -0.024010 logG= -0.028765 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321510 ETOT(band)= -0.351130 trlgG= -0.441386 logG= -0.028765 TDE= -0.171222 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.024126 logG= -0.029427 Density= 0.215677 ETOT(band)= -0.234026 trlgG= -0.295273 logG= -0.029427 TDE= -0.171607 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004667 tlogG= -0.023371 logG= -0.028038 Density= 0.321579 ETOT(band)= -0.350082 trlgG= -0.438809 logG= -0.028038 TDE= -0.170897 logGD-logG0= -0.008926 tlogG= -0.048103 logG= -0.057029 Density= 0.425467 ETOT(band)= -0.468373 trlgG= -0.586522 logG= -0.057029 TDE= -0.341772 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.022444 logG= -0.027545 logGD-logG0= -0.005232 tlogG= -0.024088 logG= -0.029320 Density= 0.216326 ETOT(band)= -0.231300 trlgG= -0.288637 logG= -0.027545 TDE= -0.170564 Density= 0.323001 ETOT(band)= -0.351214 trlgG= -0.442717 logG= -0.029320 TDE= -0.171421 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023688 logG= -0.029085 Density= 0.215366 ETOT(band)= -0.233626 trlgG= -0.293888 logG= -0.029085 TDE= -0.171253 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.047794 logG= -0.058166 Density= 0.324284 ETOT(band)= -0.349934 trlgG= -0.441071 logG= -0.058166 TDE= -0.343024 logGD-logG0= -0.005027 tlogG= -0.024166 logG= -0.029193 Density= 0.322381 ETOT(band)= -0.351242 trlgG= -0.442066 logG= -0.029193 TDE= -0.171228 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010142 tlogG= -0.045638 logG= -0.055780 Density= 0.323980 ETOT(band)= -0.347967 trlgG= -0.435018 logG= -0.055780 TDE= -0.341451 logGD-logG0= -0.009616 tlogG= -0.047658 logG= -0.057274 Density= 0.426602 ETOT(band)= -0.468399 trlgG= -0.587041 logG= -0.057274 TDE= -0.341791 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.048048 logG= -0.058705 Density= 0.323186 ETOT(band)= -0.351006 trlgG= -0.442414 logG= -0.058705 TDE= -0.343017 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047244 logG= -0.057662 Density= 0.324068 ETOT(band)= -0.349567 trlgG= -0.439723 logG= -0.057662 TDE= -0.342633 logGD-logG0= -0.010415 tlogG= -0.046423 logG= -0.056838 logGD-logG0= -0.005334 tlogG= -0.023961 logG= -0.029295 Density= 0.323597 ETOT(band)= -0.350679 trlgG= -0.442159 logG= -0.029295 TDE= -0.171479 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323933 ETOT(band)= -0.348911 trlgG= -0.437637 logG= -0.056838 TDE= -0.342075 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005012 tlogG= -0.023249 logG= -0.028261 Density= 0.321646 ETOT(band)= -0.350589 trlgG= -0.439661 logG= -0.028261 TDE= -0.170852 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009934 tlogG= -0.044630 logG= -0.054564 logGD-logG0= -0.004635 tlogG= -0.023375 logG= -0.028010 Density= 0.324221 ETOT(band)= -0.346698 trlgG= -0.432007 logG= -0.054564 TDE= -0.340774 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214146 ETOT(band)= -0.233387 trlgG= -0.292368 logG= -0.028010 TDE= -0.170905 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048156 logG= -0.058267 Density= 0.429223 ETOT(band)= -0.468297 trlgG= -0.588680 logG= -0.058267 TDE= -0.342306 logGD-logG0= -0.009649 tlogG= -0.046613 logG= -0.056262 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322645 ETOT(band)= -0.349036 trlgG= -0.436451 logG= -0.056262 TDE= -0.341604 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.024011 logG= -0.028734 Density= 0.214084 ETOT(band)= -0.234100 trlgG= -0.294161 logG= -0.028734 TDE= -0.171227 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009607 tlogG= -0.047847 logG= -0.057454 Density= 0.427964 ETOT(band)= -0.468185 trlgG= -0.587908 logG= -0.057454 TDE= -0.342260 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010279 tlogG= -0.047965 logG= -0.058244 Density= 0.429127 ETOT(band)= -0.468259 trlgG= -0.588326 logG= -0.058244 TDE= -0.342146 logGD-logG0= -0.005419 tlogG= -0.023359 logG= -0.028777 logGD-logG0= -0.010221 tlogG= -0.047676 logG= -0.057897 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215066 ETOT(band)= -0.233369 trlgG= -0.292747 logG= -0.028777 TDE= -0.170960 Density= 0.428216 ETOT(band)= -0.468169 trlgG= -0.587241 logG= -0.057897 TDE= -0.341900 logGD-logG0= -0.009469 tlogG= -0.046615 logG= -0.056084 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428023 ETOT(band)= -0.466882 trlgG= -0.584514 logG= -0.056084 TDE= -0.341629 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.048079 logG= -0.058532 Density= 0.430064 ETOT(band)= -0.468131 trlgG= -0.589121 logG= -0.058532 TDE= -0.342646 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047737 logG= -0.058359 Density= 0.430669 ETOT(band)= -0.467554 trlgG= -0.588408 logG= -0.058359 TDE= -0.342663 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010724 tlogG= -0.047701 logG= -0.058425 Density= 0.431008 ETOT(band)= -0.467497 trlgG= -0.588769 logG= -0.058425 TDE= -0.342770 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.047861 logG= -0.057644 Density= 0.429059 ETOT(band)= -0.467961 trlgG= -0.587882 logG= -0.057644 TDE= -0.342246 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.048229 logG= -0.058473 Density= 0.429957 ETOT(band)= -0.468300 trlgG= -0.589449 logG= -0.058473 TDE= -0.342521 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.046939 logG= -0.057221 logGD-logG0= -0.010648 tlogG= -0.048026 logG= -0.058675 Density= 0.429800 ETOT(band)= -0.466505 trlgG= -0.584283 logG= -0.057221 TDE= -0.341615 Density= 0.431249 ETOT(band)= -0.467779 trlgG= -0.589762 logG= -0.058675 TDE= -0.343035 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009964 tlogG= -0.047567 logG= -0.057531 Density= 0.428532 ETOT(band)= -0.467513 trlgG= -0.586280 logG= -0.057531 TDE= -0.341945 logGD-logG0= -0.010681 tlogG= -0.047276 logG= -0.057957 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430399 ETOT(band)= -0.467130 trlgG= -0.586937 logG= -0.057957 TDE= -0.342279 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004818 tlogG= -0.022331 logG= -0.027149 logGD-logG0= -0.010206 tlogG= -0.047578 logG= -0.057785 Density= 0.322811 ETOT(band)= -0.348005 trlgG= -0.434062 logG= -0.027149 TDE= -0.170245 Density= 0.429929 ETOT(band)= -0.467151 trlgG= -0.586213 logG= -0.057785 TDE= -0.342060 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.044633 logG= -0.054416 Density= 0.431521 ETOT(band)= -0.462115 trlgG= -0.574805 logG= -0.054416 TDE= -0.340410 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006689 Density= 0.081183 ETOT(band)= -0.086361 trlgG= -0.107383 logG= -0.006689 TDE= -0.042572 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.841043887915 eV TrLogG= -407.287811534864 eV Ratio to renormalize= 1.000215692537 rho-rho_expected=-0.004744212524 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964621847735109 0.940351252937838 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001401 tlogG= -0.008045 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048974 logG= -0.009447 TDE= -0.056999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.024054 logG= -0.028365 Density= 0.106101 ETOT(band)= -0.117169 trlgG= -0.146795 logG= -0.028365 TDE= -0.170934 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023209 logG= -0.027820 Density= 0.106717 ETOT(band)= -0.116626 trlgG= -0.145476 logG= -0.027820 TDE= -0.170465 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002597 tlogG= -0.012034 logG= -0.014631 Density= 0.053752 ETOT(band)= -0.058536 trlgG= -0.073689 logG= -0.014631 TDE= -0.085658 logGD-logG0= -0.002319 tlogG= -0.011885 logG= -0.014205 Density= 0.053552 ETOT(band)= -0.058403 trlgG= -0.073269 logG= -0.014205 TDE= -0.085565 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002415 tlogG= -0.012084 logG= -0.014498 Density= 0.053574 ETOT(band)= -0.058547 trlgG= -0.073631 logG= -0.014498 TDE= -0.085644 logGD-logG0= -0.002326 tlogG= -0.011450 logG= -0.013776 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053726 ETOT(band)= -0.058072 trlgG= -0.072505 logG= -0.013776 TDE= -0.085315 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007052 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022412 logG= -0.027412 Density= 0.107613 ETOT(band)= -0.115968 trlgG= -0.144452 logG= -0.027412 TDE= -0.170293 logGD-logG0= -0.004697 tlogG= -0.022993 logG= -0.027690 Density= 0.106853 ETOT(band)= -0.116495 trlgG= -0.145214 logG= -0.027690 TDE= -0.170400 logGD-logG0= -0.001482 tlogG= -0.007812 logG= -0.009294 Density= 0.035486 ETOT(band)= -0.038926 trlgG= -0.048610 logG= -0.009294 TDE= -0.056876 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.023434 logG= -0.028568 Density= 0.108108 ETOT(band)= -0.116383 trlgG= -0.146295 logG= -0.028568 TDE= -0.171225 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002553 tlogG= -0.011986 logG= -0.014539 Density= 0.054126 ETOT(band)= -0.058298 trlgG= -0.073553 logG= -0.014539 TDE= -0.085798 logGD-logG0= -0.005024 tlogG= -0.022461 logG= -0.027484 logGD-logG0= -0.002622 tlogG= -0.011990 logG= -0.014611 Density= 0.108180 ETOT(band)= -0.115740 trlgG= -0.144573 logG= -0.027484 TDE= -0.170622 Density= 0.053972 ETOT(band)= -0.058419 trlgG= -0.073673 logG= -0.014611 TDE= -0.085770 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005268 tlogG= -0.024075 logG= -0.029342 Density= 0.107621 ETOT(band)= -0.117072 trlgG= -0.147524 logG= -0.029342 TDE= -0.171438 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004337 tlogG= -0.023977 logG= -0.028315 Density= 0.106152 ETOT(band)= -0.117125 trlgG= -0.146682 logG= -0.028315 TDE= -0.170897 logGD-logG0= -0.004534 tlogG= -0.024049 logG= -0.028583 logGD-logG0= -0.004941 tlogG= -0.022173 logG= -0.027114 Density= 0.108336 ETOT(band)= -0.115434 trlgG= -0.143965 logG= -0.027114 TDE= -0.170461 logGD-logG0= -0.005092 tlogG= -0.022986 logG= -0.028078 logGD-logG0= -0.004819 tlogG= -0.023692 logG= -0.028510 Density= 0.108112 ETOT(band)= -0.116113 trlgG= -0.145520 logG= -0.028078 TDE= -0.170942 Density= 0.106371 ETOT(band)= -0.117157 trlgG= -0.146804 logG= -0.028583 TDE= -0.170859 Density= 0.107358 ETOT(band)= -0.116726 trlgG= -0.146404 logG= -0.028510 TDE= -0.171020 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023767 logG= -0.028906 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108155 ETOT(band)= -0.116545 trlgG= -0.146831 logG= -0.028906 TDE= -0.171446 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.023954 logG= -0.029079 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108205 ETOT(band)= -0.116620 trlgG= -0.147110 logG= -0.029079 TDE= -0.171576 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023687 logG= -0.028963 Density= 0.107211 ETOT(band)= -0.117006 trlgG= -0.146855 logG= -0.028963 TDE= -0.170945 logGD-logG0= -0.005085 tlogG= -0.023219 logG= -0.028304 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023647 logG= -0.028633 Density= 0.108171 ETOT(band)= -0.116206 trlgG= -0.145876 logG= -0.028304 TDE= -0.171101 Density= 0.106959 ETOT(band)= -0.116935 trlgG= -0.146304 logG= -0.028633 TDE= -0.170599 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023875 logG= -0.028988 logGD-logG0= -0.005115 tlogG= -0.023609 logG= -0.028724 Density= 0.108180 ETOT(band)= -0.116430 trlgG= -0.146540 logG= -0.028724 TDE= -0.171349 logGD-logG0= -0.005218 tlogG= -0.023970 logG= -0.029189 logGD-logG0= -0.005019 tlogG= -0.022738 logG= -0.027757 Density= 0.108226 ETOT(band)= -0.115877 trlgG= -0.145009 logG= -0.027757 TDE= -0.170808 Density= 0.107423 ETOT(band)= -0.117058 trlgG= -0.147250 logG= -0.029189 TDE= -0.171220 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005277 tlogG= -0.024090 logG= -0.029367 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107866 ETOT(band)= -0.116980 trlgG= -0.147588 logG= -0.029367 TDE= -0.171598 logGD-logG0= -0.005300 tlogG= -0.023906 logG= -0.029206 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108226 ETOT(band)= -0.116555 trlgG= -0.146961 logG= -0.028988 TDE= -0.171528 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107730 ETOT(band)= -0.116938 trlgG= -0.147308 logG= -0.029206 TDE= -0.171413 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023690 logG= -0.028387 Density= 0.106957 ETOT(band)= -0.116846 trlgG= -0.146494 logG= -0.028387 TDE= -0.171035 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024137 logG= -0.029446 logGD-logG0= -0.004852 tlogG= -0.022853 logG= -0.027705 Density= 0.107726 ETOT(band)= -0.116096 trlgG= -0.144936 logG= -0.027705 TDE= -0.170540 logGD-logG0= -0.001686 tlogG= -0.007306 logG= -0.008992 Density= 0.035837 ETOT(band)= -0.038577 trlgG= -0.047913 logG= -0.008992 TDE= -0.056655 Density= 0.107789 ETOT(band)= -0.117068 trlgG= -0.147713 logG= -0.029446 TDE= -0.171606 logGD-logG0= -0.004870 tlogG= -0.024072 logG= -0.028942 Density= 0.107037 ETOT(band)= -0.117099 trlgG= -0.147171 logG= -0.028942 TDE= -0.171196 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.024096 logG= -0.029078 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.023503 logG= -0.028226 Density= 0.106755 ETOT(band)= -0.116817 trlgG= -0.145960 logG= -0.028226 TDE= -0.170561 Density= 0.107359 ETOT(band)= -0.117037 trlgG= -0.147145 logG= -0.029078 TDE= -0.171194 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023672 logG= -0.028340 Density= 0.106580 ETOT(band)= -0.116963 trlgG= -0.146389 logG= -0.028340 TDE= -0.170790 logGD-logG0= -0.004892 tlogG= -0.023896 logG= -0.028789 Density= 0.106738 ETOT(band)= -0.117118 trlgG= -0.146916 logG= -0.028789 TDE= -0.170947 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.023200 logG= -0.028490 Density= 0.107661 ETOT(band)= -0.116549 trlgG= -0.146158 logG= -0.028490 TDE= -0.170944 logGD-logG0= -0.005263 tlogG= -0.023874 logG= -0.029137 Density= 0.107893 ETOT(band)= -0.116806 trlgG= -0.147203 logG= -0.029137 TDE= -0.171457 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.022879 logG= -0.027978 Density= 0.107595 ETOT(band)= -0.116301 trlgG= -0.145348 logG= -0.027978 TDE= -0.170614 logGD-logG0= -0.009762 tlogG= -0.048251 logG= -0.058013 logGD-logG0= -0.004729 tlogG= -0.022855 logG= -0.027584 Density= 0.214363 ETOT(band)= -0.234156 trlgG= -0.294417 logG= -0.058013 TDE= -0.342482 Density= 0.107277 ETOT(band)= -0.116241 trlgG= -0.145062 logG= -0.027584 TDE= -0.170564 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.024062 logG= -0.029314 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107925 ETOT(band)= -0.116913 trlgG= -0.147499 logG= -0.029314 TDE= -0.171592 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.023583 logG= -0.028884 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009727 tlogG= -0.045598 logG= -0.055325 logGD-logG0= -0.009628 tlogG= -0.047167 logG= -0.056795 Density= 0.107778 ETOT(band)= -0.116710 trlgG= -0.146788 logG= -0.028884 TDE= -0.171238 logGD-logG0= -0.009086 tlogG= -0.047638 logG= -0.056724 Density= 0.212891 ETOT(band)= -0.234050 trlgG= -0.292911 logG= -0.056724 TDE= -0.341536 logGD-logG0= -0.009447 tlogG= -0.045768 logG= -0.055215 Density= 0.214977 ETOT(band)= -0.232315 trlgG= -0.290026 logG= -0.055215 TDE= -0.341192 Density= 0.214324 ETOT(band)= -0.232666 trlgG= -0.290204 logG= -0.055325 TDE= -0.340937 Density= 0.213730 ETOT(band)= -0.233750 trlgG= -0.292841 logG= -0.056795 TDE= -0.341811 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.047754 logG= -0.058238 logGD-logG0= -0.009908 tlogG= -0.047907 logG= -0.057815 Density= 0.213932 ETOT(band)= -0.234195 trlgG= -0.294105 logG= -0.057815 TDE= -0.342154 Density= 0.214717 ETOT(band)= -0.234080 trlgG= -0.294253 logG= -0.058238 TDE= -0.342268 logGD-logG0= -0.009400 tlogG= -0.047455 logG= -0.056855 Density= 0.214273 ETOT(band)= -0.233580 trlgG= -0.292971 logG= -0.056855 TDE= -0.342150 logGD-logG0= -0.009788 tlogG= -0.047162 logG= -0.056951 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213740 ETOT(band)= -0.233794 trlgG= -0.292633 logG= -0.056951 TDE= -0.341452 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010286 tlogG= -0.047988 logG= -0.058274 logGD-logG0= -0.010519 tlogG= -0.048023 logG= -0.058542 logGD-logG0= -0.010148 tlogG= -0.047668 logG= -0.057816 Density= 0.213912 ETOT(band)= -0.234182 trlgG= -0.293857 logG= -0.057816 TDE= -0.341896 Density= 0.215067 ETOT(band)= -0.234125 trlgG= -0.294791 logG= -0.058542 TDE= -0.342675 logGD-logG0= -0.010348 tlogG= -0.047794 logG= -0.058142 Density= 0.214617 ETOT(band)= -0.234074 trlgG= -0.294083 logG= -0.058142 TDE= -0.342145 logGD-logG0= -0.010438 tlogG= -0.048089 logG= -0.058527 Density= 0.215033 ETOT(band)= -0.233988 trlgG= -0.294347 logG= -0.058274 TDE= -0.342482 Density= 0.215030 ETOT(band)= -0.234133 trlgG= -0.294764 logG= -0.058527 TDE= -0.342644 logGD-logG0= -0.009832 tlogG= -0.045657 logG= -0.055489 Density= 0.215108 ETOT(band)= -0.232391 trlgG= -0.290018 logG= -0.055489 TDE= -0.340976 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002396 tlogG= -0.010428 logG= -0.012824 Density= 0.054366 ETOT(band)= -0.057075 trlgG= -0.070701 logG= -0.012824 TDE= -0.084780 logGD-logG0= -0.010031 tlogG= -0.048036 logG= -0.058067 Density= 0.214493 ETOT(band)= -0.234103 trlgG= -0.294166 logG= -0.058067 TDE= -0.342241 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010576 tlogG= -0.047536 logG= -0.058112 Density= 0.215657 ETOT(band)= -0.233580 trlgG= -0.294137 logG= -0.058112 TDE= -0.342743 logGD-logG0= -0.001619 tlogG= -0.006993 logG= -0.008612 Density= 0.036188 ETOT(band)= -0.038128 trlgG= -0.047252 logG= -0.008612 TDE= -0.056547 logGD-logG0= -0.010375 tlogG= -0.047317 logG= -0.057691 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214223 ETOT(band)= -0.233975 trlgG= -0.293334 logG= -0.057691 TDE= -0.341651 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010145 tlogG= -0.046420 logG= -0.056565 Density= 0.215174 ETOT(band)= -0.232953 trlgG= -0.291652 logG= -0.056565 TDE= -0.341566 logGD-logG0= -0.010501 tlogG= -0.047949 logG= -0.058450 Density= 0.215853 ETOT(band)= -0.233696 trlgG= -0.294699 logG= -0.058450 TDE= -0.343064 logGD-logG0= -0.010632 tlogG= -0.048154 logG= -0.058786 Density= 0.215382 ETOT(band)= -0.234150 trlgG= -0.295228 logG= -0.058786 TDE= -0.343025 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010541 tlogG= -0.047430 logG= -0.057971 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010584 tlogG= -0.046887 logG= -0.057471 Density= 0.215388 ETOT(band)= -0.233344 trlgG= -0.293095 logG= -0.057471 TDE= -0.342209 Density= 0.215426 ETOT(band)= -0.233621 trlgG= -0.293896 logG= -0.057971 TDE= -0.342528 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009515 tlogG= -0.047938 logG= -0.057453 Density= 0.213237 ETOT(band)= -0.234259 trlgG= -0.293556 logG= -0.057453 TDE= -0.341623 logGD-logG0= -0.009755 tlogG= -0.047232 logG= -0.056987 Density= 0.214438 ETOT(band)= -0.233541 trlgG= -0.292745 logG= -0.056987 TDE= -0.341873 logGD-logG0= -0.005056 tlogG= -0.021822 logG= -0.026878 Density= 0.107766 ETOT(band)= -0.115540 trlgG= -0.143578 logG= -0.026878 TDE= -0.170028 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002456 tlogG= -0.010843 logG= -0.013299 logGD-logG0= -0.010556 tlogG= -0.047897 logG= -0.058453 Density= 0.054052 ETOT(band)= -0.057592 trlgG= -0.071547 logG= -0.013299 TDE= -0.084995 Density= 0.215725 ETOT(band)= -0.233769 trlgG= -0.294701 logG= -0.058453 TDE= -0.342999 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010056 tlogG= -0.047160 logG= -0.057217 Density= 0.215110 ETOT(band)= -0.233355 trlgG= -0.292669 logG= -0.057217 TDE= -0.341900 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004997 tlogG= -0.021698 logG= -0.026695 logGD-logG0= -0.004890 tlogG= -0.021568 logG= -0.026458 Density= 0.107909 ETOT(band)= -0.115347 trlgG= -0.143268 logG= -0.026695 TDE= -0.169972 Density= 0.108490 ETOT(band)= -0.114884 trlgG= -0.142837 logG= -0.026458 TDE= -0.170065 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021879 logG= -0.026855 Density= 0.108300 ETOT(band)= -0.115250 trlgG= -0.143517 logG= -0.026855 TDE= -0.170254 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009988 tlogG= -0.043397 logG= -0.053385 Density= 0.216232 ETOT(band)= -0.230483 trlgG= -0.286513 logG= -0.053385 TDE= -0.340130 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004808 tlogG= -0.020993 logG= -0.025802 Density= 0.108685 ETOT(band)= -0.114296 trlgG= -0.141680 logG= -0.025802 TDE= -0.169662 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004284 tlogG= -0.024135 logG= -0.028419 Density= 0.212140 ETOT(band)= -0.234388 trlgG= -0.293714 logG= -0.028419 TDE= -0.170973 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 logGD-logG0= -0.004417 tlogG= -0.023743 logG= -0.028160 Density= 0.213051 ETOT(band)= -0.233600 trlgG= -0.291792 logG= -0.028160 TDE= -0.170775 Density= 0.080816 ETOT(band)= -0.087652 trlgG= -0.110375 logG= -0.007213 TDE= -0.042865 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080621 ETOT(band)= -0.087402 trlgG= -0.109622 logG= -0.007003 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001233 tlogG= -0.005620 logG= -0.006854 Density= 0.080822 ETOT(band)= -0.086973 trlgG= -0.108619 logG= -0.006854 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005856 logG= -0.007125 Density= 0.080633 ETOT(band)= -0.087617 trlgG= -0.110177 logG= -0.007125 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005985 logG= -0.007256 Density= 0.081044 ETOT(band)= -0.087555 trlgG= -0.110428 logG= -0.007256 TDE= -0.042895 logGD-logG0= -0.004951 tlogG= -0.022909 logG= -0.027860 Density= 0.214756 ETOT(band)= -0.232414 trlgG= -0.289720 logG= -0.027860 TDE= -0.170427 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001428 tlogG= -0.007966 logG= -0.009394 Density= 0.070855 ETOT(band)= -0.077954 trlgG= -0.097462 logG= -0.009394 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.024005 logG= -0.029213 Density= 0.215644 ETOT(band)= -0.233869 trlgG= -0.294855 logG= -0.029213 TDE= -0.171574 logGD-logG0= -0.001567 tlogG= -0.007589 logG= -0.009156 Density= 0.071484 ETOT(band)= -0.077352 trlgG= -0.096165 logG= -0.009156 TDE= -0.056736 logGD-logG0= -0.005061 tlogG= -0.023960 logG= -0.029022 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214301 ETOT(band)= -0.234108 trlgG= -0.293942 logG= -0.029022 TDE= -0.171059 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023976 logG= -0.028537 Density= 0.212774 ETOT(band)= -0.234285 trlgG= -0.293515 logG= -0.028537 TDE= -0.170827 logGD-logG0= -0.005235 tlogG= -0.023486 logG= -0.028721 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215174 ETOT(band)= -0.233340 trlgG= -0.292937 logG= -0.028721 TDE= -0.171164 logGD-logG0= -0.005191 tlogG= -0.023419 logG= -0.028610 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216154 ETOT(band)= -0.232669 trlgG= -0.292235 logG= -0.028610 TDE= -0.171184 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004723 tlogG= -0.024010 logG= -0.028733 Density= 0.214083 ETOT(band)= -0.234098 trlgG= -0.294158 logG= -0.028733 TDE= -0.171226 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.023248 logG= -0.028014 Density= 0.213463 ETOT(band)= -0.233628 trlgG= -0.292252 logG= -0.028014 TDE= -0.170740 logGD-logG0= -0.004818 tlogG= -0.023840 logG= -0.028658 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213537 ETOT(band)= -0.234161 trlgG= -0.293769 logG= -0.028658 TDE= -0.171044 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005419 tlogG= -0.023358 logG= -0.028777 logGD-logG0= -0.005242 tlogG= -0.023803 logG= -0.029044 Density= 0.215066 ETOT(band)= -0.233367 trlgG= -0.292745 logG= -0.028777 TDE= -0.170959 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215293 ETOT(band)= -0.233775 trlgG= -0.294200 logG= -0.029044 TDE= -0.171421 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004756 tlogG= -0.024009 logG= -0.028765 logGD-logG0= -0.005101 tlogG= -0.022443 logG= -0.027545 Density= 0.216326 ETOT(band)= -0.231298 trlgG= -0.288634 logG= -0.027545 TDE= -0.170563 Density= 0.321509 ETOT(band)= -0.351127 trlgG= -0.441382 logG= -0.028765 TDE= -0.171221 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.024003 logG= -0.029175 Density= 0.216310 ETOT(band)= -0.233351 trlgG= -0.294380 logG= -0.029175 TDE= -0.171591 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.023886 logG= -0.028787 Density= 0.213751 ETOT(band)= -0.234023 trlgG= -0.293033 logG= -0.028787 TDE= -0.170789 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.022972 logG= -0.028135 Density= 0.216181 ETOT(band)= -0.232096 trlgG= -0.290619 logG= -0.028135 TDE= -0.170897 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010418 tlogG= -0.047243 logG= -0.057661 logGD-logG0= -0.004473 tlogG= -0.023590 logG= -0.028062 Density= 0.212585 ETOT(band)= -0.234007 trlgG= -0.292766 logG= -0.028062 TDE= -0.170690 logGD-logG0= -0.005058 tlogG= -0.023849 logG= -0.028907 Density= 0.215454 ETOT(band)= -0.233771 trlgG= -0.294304 logG= -0.028907 TDE= -0.171109 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324067 ETOT(band)= -0.349565 trlgG= -0.439719 logG= -0.057661 TDE= -0.342630 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.024125 logG= -0.029427 Density= 0.215676 ETOT(band)= -0.234025 trlgG= -0.295270 logG= -0.029427 TDE= -0.171606 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005027 tlogG= -0.024166 logG= -0.029193 Density= 0.322380 ETOT(band)= -0.351240 trlgG= -0.442062 logG= -0.029193 TDE= -0.171227 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006689 Density= 0.081183 ETOT(band)= -0.086360 trlgG= -0.107382 logG= -0.006689 TDE= -0.042572 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005002 tlogG= -0.024160 logG= -0.029162 Density= 0.214702 ETOT(band)= -0.234180 trlgG= -0.294557 logG= -0.029162 TDE= -0.171232 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010142 tlogG= -0.045637 logG= -0.055780 logGD-logG0= -0.010657 tlogG= -0.048048 logG= -0.058704 logGD-logG0= -0.005013 tlogG= -0.023248 logG= -0.028261 Density= 0.321645 ETOT(band)= -0.350586 trlgG= -0.439657 logG= -0.028261 TDE= -0.170851 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323979 ETOT(band)= -0.347965 trlgG= -0.435014 logG= -0.055780 TDE= -0.341449 Density= 0.323185 ETOT(band)= -0.351004 trlgG= -0.442410 logG= -0.058704 TDE= -0.343014 logGD-logG0= -0.004667 tlogG= -0.023371 logG= -0.028038 Density= 0.321579 ETOT(band)= -0.350079 trlgG= -0.438805 logG= -0.028038 TDE= -0.170896 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010372 tlogG= -0.047793 logG= -0.058166 Density= 0.324283 ETOT(band)= -0.349932 trlgG= -0.441068 logG= -0.058166 TDE= -0.343022 logGD-logG0= -0.005349 tlogG= -0.023902 logG= -0.029251 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005184 tlogG= -0.023766 logG= -0.028950 Density= 0.216234 ETOT(band)= -0.233049 trlgG= -0.293443 logG= -0.028950 TDE= -0.171423 logGD-logG0= -0.005165 tlogG= -0.023960 logG= -0.029125 Density= 0.216344 ETOT(band)= -0.233247 trlgG= -0.294147 logG= -0.029125 TDE= -0.171564 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215603 ETOT(band)= -0.233772 trlgG= -0.294583 logG= -0.029251 TDE= -0.171430 logGD-logG0= -0.004635 tlogG= -0.023374 logG= -0.028009 logGD-logG0= -0.004587 tlogG= -0.023893 logG= -0.028480 Density= 0.213246 ETOT(band)= -0.233875 trlgG= -0.292522 logG= -0.028480 TDE= -0.170779 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214146 ETOT(band)= -0.233386 trlgG= -0.292365 logG= -0.028009 TDE= -0.170904 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010416 tlogG= -0.046422 logG= -0.056838 Density= 0.323932 ETOT(band)= -0.348908 trlgG= -0.437633 logG= -0.056838 TDE= -0.342073 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.022296 logG= -0.027227 Density= 0.214221 ETOT(band)= -0.232455 trlgG= -0.289473 logG= -0.027227 TDE= -0.170163 logGD-logG0= -0.005232 tlogG= -0.024088 logG= -0.029320 Density= 0.323000 ETOT(band)= -0.351212 trlgG= -0.442713 logG= -0.029320 TDE= -0.171419 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009649 tlogG= -0.046612 logG= -0.056262 Density= 0.322645 ETOT(band)= -0.349033 trlgG= -0.436447 logG= -0.056262 TDE= -0.341602 logGD-logG0= -0.001576 tlogG= -0.006875 logG= -0.008451 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040839 ETOT(band)= -0.042676 trlgG= -0.052804 logG= -0.008451 TDE= -0.056462 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.008926 tlogG= -0.048102 logG= -0.057028 Density= 0.425466 ETOT(band)= -0.468369 trlgG= -0.586516 logG= -0.057028 TDE= -0.341770 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023961 logG= -0.029295 logGD-logG0= -0.004900 tlogG= -0.022477 logG= -0.027377 Density= 0.214981 ETOT(band)= -0.231678 trlgG= -0.288076 logG= -0.027377 TDE= -0.170176 Density= 0.323596 ETOT(band)= -0.350676 trlgG= -0.442155 logG= -0.029295 TDE= -0.171478 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005397 tlogG= -0.023688 logG= -0.029085 Density= 0.215366 ETOT(band)= -0.233624 trlgG= -0.293885 logG= -0.029085 TDE= -0.171252 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009415 tlogG= -0.046720 logG= -0.056135 Density= 0.427816 ETOT(band)= -0.466157 trlgG= -0.581903 logG= -0.056135 TDE= -0.341211 logGD-logG0= -0.010110 tlogG= -0.048155 logG= -0.058266 Density= 0.429222 ETOT(band)= -0.468293 trlgG= -0.588675 logG= -0.058266 TDE= -0.342304 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010243 tlogG= -0.048229 logG= -0.058472 logGD-logG0= -0.009607 tlogG= -0.047846 logG= -0.057454 Density= 0.429956 ETOT(band)= -0.468297 trlgG= -0.589444 logG= -0.058472 TDE= -0.342519 Density= 0.427963 ETOT(band)= -0.468182 trlgG= -0.587903 logG= -0.057454 TDE= -0.342257 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.047675 logG= -0.057897 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428215 ETOT(band)= -0.468166 trlgG= -0.587235 logG= -0.057897 TDE= -0.341898 logGD-logG0= -0.010279 tlogG= -0.047964 logG= -0.058243 logGD-logG0= -0.009469 tlogG= -0.046614 logG= -0.056084 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429125 ETOT(band)= -0.468255 trlgG= -0.588320 logG= -0.058243 TDE= -0.342144 Density= 0.428022 ETOT(band)= -0.466878 trlgG= -0.584509 logG= -0.056084 TDE= -0.341627 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001182 tlogG= -0.005172 logG= -0.006355 Density= 0.062529 ETOT(band)= -0.067549 trlgG= -0.084217 logG= -0.006355 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010725 tlogG= -0.047700 logG= -0.058425 Density= 0.431007 ETOT(band)= -0.467493 trlgG= -0.588763 logG= -0.058425 TDE= -0.342768 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009783 tlogG= -0.047860 logG= -0.057643 Density= 0.429058 ETOT(band)= -0.467957 trlgG= -0.587876 logG= -0.057643 TDE= -0.342244 logGD-logG0= -0.010622 tlogG= -0.047737 logG= -0.058358 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430667 ETOT(band)= -0.467550 trlgG= -0.588403 logG= -0.058358 TDE= -0.342661 logGD-logG0= -0.004890 tlogG= -0.021305 logG= -0.026196 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162613 ETOT(band)= -0.172996 trlgG= -0.215941 logG= -0.026196 TDE= -0.169878 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010453 tlogG= -0.048078 logG= -0.058532 Density= 0.430062 ETOT(band)= -0.468127 trlgG= -0.589116 logG= -0.058532 TDE= -0.342644 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009898 tlogG= -0.046408 logG= -0.056306 Density= 0.429451 ETOT(band)= -0.465586 trlgG= -0.581579 logG= -0.056306 TDE= -0.341322 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023198 logG= -0.028351 Density= 0.214828 ETOT(band)= -0.232968 trlgG= -0.291250 logG= -0.028351 TDE= -0.170615 logGD-logG0= -0.009570 tlogG= -0.047777 logG= -0.057347 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427103 ETOT(band)= -0.467945 trlgG= -0.585888 logG= -0.057347 TDE= -0.341490 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.046938 logG= -0.057220 Density= 0.429798 ETOT(band)= -0.466501 trlgG= -0.584278 logG= -0.057220 TDE= -0.341612 logGD-logG0= -0.009964 tlogG= -0.047566 logG= -0.057530 Density= 0.428531 ETOT(band)= -0.467509 trlgG= -0.586275 logG= -0.057530 TDE= -0.341943 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010681 tlogG= -0.047276 logG= -0.057957 Density= 0.430398 ETOT(band)= -0.467126 trlgG= -0.586931 logG= -0.057957 TDE= -0.342277 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010649 tlogG= -0.048025 logG= -0.058674 Density= 0.431247 ETOT(band)= -0.467775 trlgG= -0.589756 logG= -0.058674 TDE= -0.343032 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001201 tlogG= -0.005308 logG= -0.006509 Density= 0.081540 ETOT(band)= -0.085692 trlgG= -0.106223 logG= -0.006509 TDE= -0.042460 logGD-logG0= -0.004818 tlogG= -0.022331 logG= -0.027149 Density= 0.322810 ETOT(band)= -0.348002 trlgG= -0.434058 logG= -0.027149 TDE= -0.170244 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010207 tlogG= -0.047577 logG= -0.057784 Density= 0.429928 ETOT(band)= -0.467147 trlgG= -0.586207 logG= -0.057784 TDE= -0.342057 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009616 tlogG= -0.047658 logG= -0.057274 Density= 0.426601 ETOT(band)= -0.468396 trlgG= -0.587035 logG= -0.057274 TDE= -0.341788 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.022330 logG= -0.027108 Density= 0.214987 ETOT(band)= -0.231967 trlgG= -0.289120 logG= -0.027108 TDE= -0.170250 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009934 tlogG= -0.044630 logG= -0.054564 Density= 0.324220 ETOT(band)= -0.346696 trlgG= -0.432003 logG= -0.054564 TDE= -0.340771 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007118 logG= -0.008806 Density= 0.072214 ETOT(band)= -0.076484 trlgG= -0.094852 logG= -0.008806 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004932 tlogG= -0.021210 logG= -0.026142 Density= 0.216300 ETOT(band)= -0.230053 trlgG= -0.285570 logG= -0.026142 TDE= -0.169797 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005063 tlogG= -0.021883 logG= -0.026946 Density= 0.216580 ETOT(band)= -0.230300 trlgG= -0.286518 logG= -0.026946 TDE= -0.170223 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009783 tlogG= -0.044632 logG= -0.054415 Density= 0.431519 ETOT(band)= -0.462112 trlgG= -0.574800 logG= -0.054415 TDE= -0.340408 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021355 logG= -0.026328 Density= 0.216973 ETOT(band)= -0.229192 trlgG= -0.284314 logG= -0.026328 TDE= -0.169891 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.838520501580 eV TrLogG= -407.283684178265 eV Ratio to renormalize= 1.000218462193 rho-rho_expected=-0.004805118506 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964656401014029 0.940404642814416 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001401 tlogG= -0.008046 logG= -0.009447 Density= 0.035308 ETOT(band)= -0.039080 trlgG= -0.048976 logG= -0.009447 TDE= -0.057002 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.022414 logG= -0.027413 Density= 0.107615 ETOT(band)= -0.115972 trlgG= -0.144459 logG= -0.027413 TDE= -0.170299 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.022994 logG= -0.027691 Density= 0.106854 ETOT(band)= -0.116500 trlgG= -0.145221 logG= -0.027691 TDE= -0.170407 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.023505 logG= -0.028227 Density= 0.106756 ETOT(band)= -0.116822 trlgG= -0.145967 logG= -0.028227 TDE= -0.170568 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001686 tlogG= -0.007306 logG= -0.008992 Density= 0.035837 ETOT(band)= -0.038579 trlgG= -0.047915 logG= -0.008992 TDE= -0.056657 logGD-logG0= -0.002395 tlogG= -0.010429 logG= -0.012824 Density= 0.054367 ETOT(band)= -0.057077 trlgG= -0.070703 logG= -0.012824 TDE= -0.084783 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004888 tlogG= -0.021570 logG= -0.026458 Density= 0.108492 ETOT(band)= -0.114888 trlgG= -0.142843 logG= -0.026458 TDE= -0.170072 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004807 tlogG= -0.020995 logG= -0.025802 Density= 0.108688 ETOT(band)= -0.114300 trlgG= -0.141686 logG= -0.025802 TDE= -0.169668 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.022175 logG= -0.027115 Density= 0.108338 ETOT(band)= -0.115438 trlgG= -0.143971 logG= -0.027115 TDE= -0.170468 logGD-logG0= -0.004533 tlogG= -0.024051 logG= -0.028584 Density= 0.106372 ETOT(band)= -0.117163 trlgG= -0.146812 logG= -0.028584 TDE= -0.170866 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.023648 logG= -0.028634 Density= 0.106961 ETOT(band)= -0.116940 trlgG= -0.146311 logG= -0.028634 TDE= -0.170606 logGD-logG0= -0.005018 tlogG= -0.022740 logG= -0.027757 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108228 ETOT(band)= -0.115881 trlgG= -0.145015 logG= -0.027757 TDE= -0.170815 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004668 tlogG= -0.023674 logG= -0.028341 Density= 0.106581 ETOT(band)= -0.116969 trlgG= -0.146396 logG= -0.028341 TDE= -0.170797 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004869 tlogG= -0.024074 logG= -0.028943 Density= 0.107039 ETOT(band)= -0.117104 trlgG= -0.147178 logG= -0.028943 TDE= -0.171203 logGD-logG0= -0.004892 tlogG= -0.023898 logG= -0.028790 Density= 0.106740 ETOT(band)= -0.117123 trlgG= -0.146924 logG= -0.028790 TDE= -0.170954 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002456 tlogG= -0.010844 logG= -0.013299 Density= 0.054053 ETOT(band)= -0.057595 trlgG= -0.071550 logG= -0.013299 TDE= -0.084998 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002326 tlogG= -0.011451 logG= -0.013776 Density= 0.053727 ETOT(band)= -0.058075 trlgG= -0.072508 logG= -0.013776 TDE= -0.085319 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002319 tlogG= -0.011886 logG= -0.014205 Density= 0.053553 ETOT(band)= -0.058405 trlgG= -0.073273 logG= -0.014205 TDE= -0.085568 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001482 tlogG= -0.007813 logG= -0.009295 Density= 0.035487 ETOT(band)= -0.038928 trlgG= -0.048612 logG= -0.009295 TDE= -0.056878 logGD-logG0= -0.002552 tlogG= -0.011987 logG= -0.014539 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054127 ETOT(band)= -0.058300 trlgG= -0.073556 logG= -0.014539 TDE= -0.085802 logGD-logG0= -0.005124 tlogG= -0.023956 logG= -0.029080 Density= 0.108208 ETOT(band)= -0.116624 trlgG= -0.147116 logG= -0.029080 TDE= -0.171583 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002596 tlogG= -0.012035 logG= -0.014631 Density= 0.053753 ETOT(band)= -0.058538 trlgG= -0.073692 logG= -0.014631 TDE= -0.085661 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002414 tlogG= -0.012085 logG= -0.014499 Density= 0.053575 ETOT(band)= -0.058549 trlgG= -0.073635 logG= -0.014499 TDE= -0.085648 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023769 logG= -0.028907 Density= 0.108157 ETOT(band)= -0.116550 trlgG= -0.146838 logG= -0.028907 TDE= -0.171453 logGD-logG0= -0.004310 tlogG= -0.024056 logG= -0.028366 logGD-logG0= -0.005267 tlogG= -0.024076 logG= -0.029343 Density= 0.107624 ETOT(band)= -0.117077 trlgG= -0.147530 logG= -0.029343 TDE= -0.171445 Density= 0.106102 ETOT(band)= -0.117175 trlgG= -0.146803 logG= -0.028366 TDE= -0.170941 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.023436 logG= -0.028568 Density= 0.108110 ETOT(band)= -0.116388 trlgG= -0.146302 logG= -0.028568 TDE= -0.171232 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004336 tlogG= -0.023979 logG= -0.028316 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106154 ETOT(band)= -0.117131 trlgG= -0.146689 logG= -0.028316 TDE= -0.170904 logGD-logG0= -0.005022 tlogG= -0.022463 logG= -0.027485 logGD-logG0= -0.005090 tlogG= -0.022988 logG= -0.028079 Density= 0.108115 ETOT(band)= -0.116118 trlgG= -0.145527 logG= -0.028079 TDE= -0.170949 Density= 0.108183 ETOT(band)= -0.115745 trlgG= -0.144579 logG= -0.027485 TDE= -0.170628 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004610 tlogG= -0.023210 logG= -0.027820 Density= 0.106719 ETOT(band)= -0.116631 trlgG= -0.145483 logG= -0.027820 TDE= -0.170473 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.024098 logG= -0.029079 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107361 ETOT(band)= -0.117042 trlgG= -0.147152 logG= -0.029079 TDE= -0.171200 logGD-logG0= -0.005114 tlogG= -0.023611 logG= -0.028725 logGD-logG0= -0.005308 tlogG= -0.024139 logG= -0.029447 logGD-logG0= -0.005275 tlogG= -0.023689 logG= -0.028964 Density= 0.107213 ETOT(band)= -0.117011 trlgG= -0.146862 logG= -0.028964 TDE= -0.170953 Density= 0.108183 ETOT(band)= -0.116434 trlgG= -0.146546 logG= -0.028725 TDE= -0.171356 Density= 0.107792 ETOT(band)= -0.117073 trlgG= -0.147720 logG= -0.029447 TDE= -0.171613 logGD-logG0= -0.005299 tlogG= -0.023907 logG= -0.029207 Density= 0.107732 ETOT(band)= -0.116943 trlgG= -0.147315 logG= -0.029207 TDE= -0.171420 logGD-logG0= -0.004818 tlogG= -0.023694 logG= -0.028511 logGD-logG0= -0.005111 tlogG= -0.023877 logG= -0.028988 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108228 ETOT(band)= -0.116560 trlgG= -0.146967 logG= -0.028988 TDE= -0.171535 logGD-logG0= -0.005083 tlogG= -0.023221 logG= -0.028305 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107360 ETOT(band)= -0.116732 trlgG= -0.146411 logG= -0.028511 TDE= -0.171027 Density= 0.108174 ETOT(band)= -0.116211 trlgG= -0.145883 logG= -0.028305 TDE= -0.171108 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024093 logG= -0.029368 Density= 0.107868 ETOT(band)= -0.116985 trlgG= -0.147594 logG= -0.029368 TDE= -0.171605 logGD-logG0= -0.002621 tlogG= -0.011991 logG= -0.014612 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023972 logG= -0.029190 Density= 0.107426 ETOT(band)= -0.117063 trlgG= -0.147257 logG= -0.029190 TDE= -0.171227 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053973 ETOT(band)= -0.058421 trlgG= -0.073677 logG= -0.014612 TDE= -0.085773 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.022881 logG= -0.027979 Density= 0.107597 ETOT(band)= -0.116306 trlgG= -0.145355 logG= -0.027979 TDE= -0.170621 logGD-logG0= -0.004696 tlogG= -0.023692 logG= -0.028388 Density= 0.106959 ETOT(band)= -0.116851 trlgG= -0.146501 logG= -0.028388 TDE= -0.171042 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004851 tlogG= -0.022855 logG= -0.027706 Density= 0.107728 ETOT(band)= -0.116101 trlgG= -0.144943 logG= -0.027706 TDE= -0.170546 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.023201 logG= -0.028491 Density= 0.107664 ETOT(band)= -0.116554 trlgG= -0.146165 logG= -0.028491 TDE= -0.170951 logGD-logG0= -0.004728 tlogG= -0.022857 logG= -0.027585 Density= 0.107279 ETOT(band)= -0.116246 trlgG= -0.145069 logG= -0.027585 TDE= -0.170571 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005261 tlogG= -0.023876 logG= -0.029137 Density= 0.107896 ETOT(band)= -0.116811 trlgG= -0.147209 logG= -0.029137 TDE= -0.171464 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024064 logG= -0.029314 Density= 0.107927 ETOT(band)= -0.116917 trlgG= -0.147506 logG= -0.029314 TDE= -0.171599 logGD-logG0= -0.009445 tlogG= -0.045771 logG= -0.055217 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214981 ETOT(band)= -0.232325 trlgG= -0.290039 logG= -0.055217 TDE= -0.341206 logGD-logG0= -0.009760 tlogG= -0.048255 logG= -0.058014 logGD-logG0= -0.005299 tlogG= -0.023586 logG= -0.028884 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214367 ETOT(band)= -0.234166 trlgG= -0.294431 logG= -0.058014 TDE= -0.342496 Density= 0.107780 ETOT(band)= -0.116715 trlgG= -0.146794 logG= -0.028884 TDE= -0.171245 logGD-logG0= -0.010481 tlogG= -0.047758 logG= -0.058240 logGD-logG0= -0.009725 tlogG= -0.045602 logG= -0.055327 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214722 ETOT(band)= -0.234090 trlgG= -0.294267 logG= -0.058240 TDE= -0.342282 Density= 0.214327 ETOT(band)= -0.232676 trlgG= -0.290218 logG= -0.055327 TDE= -0.340951 logGD-logG0= -0.009906 tlogG= -0.047912 logG= -0.057817 Density= 0.213935 ETOT(band)= -0.234205 trlgG= -0.294119 logG= -0.057817 TDE= -0.342168 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009787 tlogG= -0.047165 logG= -0.056953 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213744 ETOT(band)= -0.233805 trlgG= -0.292647 logG= -0.056953 TDE= -0.341466 logGD-logG0= -0.009398 tlogG= -0.047459 logG= -0.056857 logGD-logG0= -0.009626 tlogG= -0.047171 logG= -0.056796 Density= 0.213733 ETOT(band)= -0.233761 trlgG= -0.292855 logG= -0.056796 TDE= -0.341825 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214277 ETOT(band)= -0.233590 trlgG= -0.292985 logG= -0.056857 TDE= -0.342164 logGD-logG0= -0.010436 tlogG= -0.048093 logG= -0.058529 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009514 tlogG= -0.047941 logG= -0.057455 Density= 0.215035 ETOT(band)= -0.234143 trlgG= -0.294778 logG= -0.058529 TDE= -0.342659 Density= 0.213241 ETOT(band)= -0.234269 trlgG= -0.293571 logG= -0.057455 TDE= -0.341637 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010146 tlogG= -0.047671 logG= -0.057818 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010285 tlogG= -0.047991 logG= -0.058276 Density= 0.213916 ETOT(band)= -0.234192 trlgG= -0.293872 logG= -0.057818 TDE= -0.341910 Density= 0.215038 ETOT(band)= -0.233998 trlgG= -0.294361 logG= -0.058276 TDE= -0.342497 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010518 tlogG= -0.048026 logG= -0.058544 Density= 0.215072 ETOT(band)= -0.234134 trlgG= -0.294805 logG= -0.058544 TDE= -0.342689 logGD-logG0= -0.009830 tlogG= -0.045661 logG= -0.055490 Density= 0.215112 ETOT(band)= -0.232401 trlgG= -0.290031 logG= -0.055490 TDE= -0.340989 logGD-logG0= -0.010029 tlogG= -0.048040 logG= -0.058069 logGD-logG0= -0.001619 tlogG= -0.006994 logG= -0.008613 Density= 0.036189 ETOT(band)= -0.038130 trlgG= -0.047254 logG= -0.008613 TDE= -0.056550 Density= 0.214497 ETOT(band)= -0.234113 trlgG= -0.294180 logG= -0.058069 TDE= -0.342255 logGD-logG0= -0.010346 tlogG= -0.047798 logG= -0.058144 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214621 ETOT(band)= -0.234084 trlgG= -0.294098 logG= -0.058144 TDE= -0.342159 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010573 tlogG= -0.047541 logG= -0.058114 Density= 0.215662 ETOT(band)= -0.233590 trlgG= -0.294150 logG= -0.058114 TDE= -0.342757 logGD-logG0= -0.009085 tlogG= -0.047642 logG= -0.056726 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212894 ETOT(band)= -0.234061 trlgG= -0.292926 logG= -0.056726 TDE= -0.341550 logGD-logG0= -0.010498 tlogG= -0.047954 logG= -0.058452 logGD-logG0= -0.010373 tlogG= -0.047320 logG= -0.057693 Density= 0.214227 ETOT(band)= -0.233985 trlgG= -0.293348 logG= -0.057693 TDE= -0.341666 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215858 ETOT(band)= -0.233706 trlgG= -0.294712 logG= -0.058452 TDE= -0.343078 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.046890 logG= -0.057473 Density= 0.215392 ETOT(band)= -0.233354 trlgG= -0.293109 logG= -0.057473 TDE= -0.342223 logGD-logG0= -0.010143 tlogG= -0.046424 logG= -0.056567 Density= 0.215179 ETOT(band)= -0.232963 trlgG= -0.291665 logG= -0.056567 TDE= -0.341580 logGD-logG0= -0.010630 tlogG= -0.048157 logG= -0.058787 Density= 0.215387 ETOT(band)= -0.234159 trlgG= -0.295242 logG= -0.058787 TDE= -0.343039 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010553 tlogG= -0.047902 logG= -0.058455 Density= 0.215730 ETOT(band)= -0.233778 trlgG= -0.294714 logG= -0.058455 TDE= -0.343013 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009753 tlogG= -0.047236 logG= -0.056989 logGD-logG0= -0.010540 tlogG= -0.047433 logG= -0.057973 Density= 0.215431 ETOT(band)= -0.233630 trlgG= -0.293909 logG= -0.057973 TDE= -0.342543 Density= 0.214442 ETOT(band)= -0.233552 trlgG= -0.292759 logG= -0.056989 TDE= -0.341887 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010055 tlogG= -0.047164 logG= -0.057218 Density= 0.215115 ETOT(band)= -0.233364 trlgG= -0.292682 logG= -0.057218 TDE= -0.341914 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.021881 logG= -0.026855 Density= 0.108302 ETOT(band)= -0.115255 trlgG= -0.143523 logG= -0.026855 TDE= -0.170261 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004950 tlogG= -0.022910 logG= -0.027861 logGD-logG0= -0.004586 tlogG= -0.023895 logG= -0.028481 Density= 0.214760 ETOT(band)= -0.232424 trlgG= -0.289733 logG= -0.027861 TDE= -0.170434 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213249 ETOT(band)= -0.233886 trlgG= -0.292536 logG= -0.028481 TDE= -0.170786 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005055 tlogG= -0.021823 logG= -0.026878 Density= 0.107768 ETOT(band)= -0.115544 trlgG= -0.143584 logG= -0.026878 TDE= -0.170035 logGD-logG0= -0.001567 tlogG= -0.007590 logG= -0.009156 Density= 0.071485 ETOT(band)= -0.077356 trlgG= -0.096170 logG= -0.009156 TDE= -0.056738 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004995 tlogG= -0.021700 logG= -0.026696 Density= 0.107911 ETOT(band)= -0.115352 trlgG= -0.143275 logG= -0.026696 TDE= -0.169979 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009985 tlogG= -0.043401 logG= -0.053386 Density= 0.216236 ETOT(band)= -0.230492 trlgG= -0.286525 logG= -0.053386 TDE= -0.340143 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001201 tlogG= -0.005309 logG= -0.006509 Density= 0.081542 ETOT(band)= -0.085695 trlgG= -0.106227 logG= -0.006509 TDE= -0.042462 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004930 tlogG= -0.022298 logG= -0.027228 Density= 0.214225 ETOT(band)= -0.232466 trlgG= -0.289486 logG= -0.027228 TDE= -0.170170 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001182 tlogG= -0.005173 logG= -0.006355 Density= 0.062530 ETOT(band)= -0.067552 trlgG= -0.084221 logG= -0.006355 TDE= -0.042360 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005062 tlogG= -0.021885 logG= -0.026947 Density= 0.216585 ETOT(band)= -0.230310 trlgG= -0.286530 logG= -0.026947 TDE= -0.170230 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004972 tlogG= -0.021357 logG= -0.026329 Density= 0.216977 ETOT(band)= -0.229201 trlgG= -0.284325 logG= -0.026329 TDE= -0.169898 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005100 tlogG= -0.022445 logG= -0.027545 Density= 0.216330 ETOT(band)= -0.231307 trlgG= -0.288647 logG= -0.027545 TDE= -0.170570 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.023887 logG= -0.028788 logGD-logG0= -0.004561 tlogG= -0.023977 logG= -0.028538 Density= 0.212777 ETOT(band)= -0.234296 trlgG= -0.293529 logG= -0.028538 TDE= -0.170834 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.022974 logG= -0.028135 Density= 0.213755 ETOT(band)= -0.234033 trlgG= -0.293048 logG= -0.028788 TDE= -0.170796 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216186 ETOT(band)= -0.232105 trlgG= -0.290632 logG= -0.028135 TDE= -0.170904 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004722 tlogG= -0.024012 logG= -0.028734 Density= 0.214087 ETOT(band)= -0.234109 trlgG= -0.294172 logG= -0.028734 TDE= -0.171233 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.023842 logG= -0.028659 Density= 0.213541 ETOT(band)= -0.234172 trlgG= -0.293784 logG= -0.028659 TDE= -0.171051 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023250 logG= -0.028015 Density= 0.213466 ETOT(band)= -0.233639 trlgG= -0.292267 logG= -0.028015 TDE= -0.170747 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001220 tlogG= -0.005469 logG= -0.006689 Density= 0.081184 ETOT(band)= -0.086363 trlgG= -0.107386 logG= -0.006689 TDE= -0.042573 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001233 tlogG= -0.005621 logG= -0.006854 Density= 0.080823 ETOT(band)= -0.086976 trlgG= -0.108624 logG= -0.006854 TDE= -0.042671 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001254 tlogG= -0.005749 logG= -0.007003 Density= 0.080623 ETOT(band)= -0.087405 trlgG= -0.109627 logG= -0.007003 TDE= -0.042747 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005940 logG= -0.007213 Density= 0.080818 ETOT(band)= -0.087656 trlgG= -0.110380 logG= -0.007213 TDE= -0.042867 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001268 tlogG= -0.005857 logG= -0.007125 logGD-logG0= -0.005206 tlogG= -0.024007 logG= -0.029213 Density= 0.215649 ETOT(band)= -0.233878 trlgG= -0.294868 logG= -0.029213 TDE= -0.171581 Density= 0.080635 ETOT(band)= -0.087621 trlgG= -0.110182 logG= -0.007125 TDE= -0.042813 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005985 logG= -0.007257 Density= 0.081046 ETOT(band)= -0.087558 trlgG= -0.110433 logG= -0.007257 TDE= -0.042897 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.023962 logG= -0.029023 Density= 0.214306 ETOT(band)= -0.234118 trlgG= -0.293956 logG= -0.029023 TDE= -0.171066 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023805 logG= -0.029045 Density= 0.215298 ETOT(band)= -0.233785 trlgG= -0.294213 logG= -0.029045 TDE= -0.171428 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023421 logG= -0.028610 Density= 0.216159 ETOT(band)= -0.232679 trlgG= -0.292248 logG= -0.028610 TDE= -0.171191 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005170 tlogG= -0.024005 logG= -0.029175 logGD-logG0= -0.005234 tlogG= -0.023488 logG= -0.028722 Density= 0.216315 ETOT(band)= -0.233360 trlgG= -0.294392 logG= -0.029175 TDE= -0.171598 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215178 ETOT(band)= -0.233350 trlgG= -0.292950 logG= -0.028722 TDE= -0.171171 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001427 tlogG= -0.007967 logG= -0.009395 Density= 0.070856 ETOT(band)= -0.077958 trlgG= -0.097467 logG= -0.009395 TDE= -0.056963 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024136 logG= -0.028420 Density= 0.212142 ETOT(band)= -0.234399 trlgG= -0.293729 logG= -0.028420 TDE= -0.170980 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005057 tlogG= -0.023850 logG= -0.028908 logGD-logG0= -0.004634 tlogG= -0.023376 logG= -0.028010 Density= 0.215459 ETOT(band)= -0.233780 trlgG= -0.294318 logG= -0.028908 TDE= -0.171116 Density= 0.214149 ETOT(band)= -0.233396 trlgG= -0.292379 logG= -0.028010 TDE= -0.170911 logGD-logG0= -0.005152 tlogG= -0.023200 logG= -0.028352 Density= 0.214832 ETOT(band)= -0.232978 trlgG= -0.291264 logG= -0.028352 TDE= -0.170622 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005418 tlogG= -0.023360 logG= -0.028778 Density= 0.215070 ETOT(band)= -0.233376 trlgG= -0.292758 logG= -0.028778 TDE= -0.170966 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024128 logG= -0.029427 Density= 0.215681 ETOT(band)= -0.234034 trlgG= -0.295284 logG= -0.029427 TDE= -0.171613 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004416 tlogG= -0.023745 logG= -0.028161 logGD-logG0= -0.005026 tlogG= -0.024168 logG= -0.029194 Density= 0.213054 ETOT(band)= -0.233611 trlgG= -0.291807 logG= -0.028161 TDE= -0.170782 Density= 0.322387 ETOT(band)= -0.351255 trlgG= -0.442082 logG= -0.029194 TDE= -0.171234 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024011 logG= -0.028766 Density= 0.321515 ETOT(band)= -0.351142 trlgG= -0.441403 logG= -0.028766 TDE= -0.171228 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005163 tlogG= -0.023962 logG= -0.029125 Density= 0.216349 ETOT(band)= -0.233256 trlgG= -0.294160 logG= -0.029125 TDE= -0.171571 logGD-logG0= -0.010655 tlogG= -0.048052 logG= -0.058706 Density= 0.323192 ETOT(band)= -0.351018 trlgG= -0.442430 logG= -0.058706 TDE= -0.343029 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004472 tlogG= -0.023591 logG= -0.028063 logGD-logG0= -0.005183 tlogG= -0.023768 logG= -0.028951 logGD-logG0= -0.010369 tlogG= -0.047798 logG= -0.058167 Density= 0.216239 ETOT(band)= -0.233058 trlgG= -0.293455 logG= -0.028951 TDE= -0.171430 Density= 0.324291 ETOT(band)= -0.349945 trlgG= -0.441087 logG= -0.058167 TDE= -0.343036 logGD-logG0= -0.005001 tlogG= -0.024162 logG= -0.029163 Density= 0.214706 ETOT(band)= -0.234190 trlgG= -0.294571 logG= -0.029163 TDE= -0.171239 Density= 0.212588 ETOT(band)= -0.234018 trlgG= -0.292781 logG= -0.028063 TDE= -0.170697 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004666 tlogG= -0.023373 logG= -0.028039 logGD-logG0= -0.001575 tlogG= -0.006876 logG= -0.008451 Density= 0.321584 ETOT(band)= -0.350094 trlgG= -0.438826 logG= -0.028039 TDE= -0.170903 logGD-logG0= -0.005012 tlogG= -0.023250 logG= -0.028262 Density= 0.321651 ETOT(band)= -0.350601 trlgG= -0.439678 logG= -0.028262 TDE= -0.170858 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040840 ETOT(band)= -0.042677 trlgG= -0.052806 logG= -0.008451 TDE= -0.056464 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.024089 logG= -0.029320 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323007 ETOT(band)= -0.351226 trlgG= -0.442733 logG= -0.029320 TDE= -0.171427 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010415 tlogG= -0.047247 logG= -0.057662 Density= 0.324074 ETOT(band)= -0.349578 trlgG= -0.439738 logG= -0.057662 TDE= -0.342644 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010141 tlogG= -0.045640 logG= -0.055781 Density= 0.323986 ETOT(band)= -0.347979 trlgG= -0.435033 logG= -0.055781 TDE= -0.341463 logGD-logG0= -0.010413 tlogG= -0.046426 logG= -0.056839 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323939 ETOT(band)= -0.348922 trlgG= -0.437652 logG= -0.056839 TDE= -0.342087 logGD-logG0= -0.005348 tlogG= -0.023904 logG= -0.029252 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215608 ETOT(band)= -0.233781 trlgG= -0.294596 logG= -0.029252 TDE= -0.171437 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009647 tlogG= -0.046616 logG= -0.056263 Density= 0.322651 ETOT(band)= -0.349048 trlgG= -0.436467 logG= -0.056263 TDE= -0.341615 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005332 tlogG= -0.023963 logG= -0.029296 Density= 0.323604 ETOT(band)= -0.350691 trlgG= -0.442175 logG= -0.029296 TDE= -0.171485 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023690 logG= -0.029086 Density= 0.215370 ETOT(band)= -0.233634 trlgG= -0.293898 logG= -0.029086 TDE= -0.171259 logGD-logG0= -0.009605 tlogG= -0.047850 logG= -0.057456 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.048159 logG= -0.058268 Density= 0.427970 ETOT(band)= -0.468202 trlgG= -0.587931 logG= -0.057456 TDE= -0.342271 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429231 ETOT(band)= -0.468313 trlgG= -0.588703 logG= -0.058268 TDE= -0.342318 logGD-logG0= -0.009414 tlogG= -0.046723 logG= -0.056137 Density= 0.427823 ETOT(band)= -0.466178 trlgG= -0.581931 logG= -0.056137 TDE= -0.341225 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004889 tlogG= -0.021307 logG= -0.026196 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162617 ETOT(band)= -0.173003 trlgG= -0.215950 logG= -0.026196 TDE= -0.169884 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010219 tlogG= -0.047679 logG= -0.057898 Density= 0.428223 ETOT(band)= -0.468186 trlgG= -0.587263 logG= -0.057898 TDE= -0.341912 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010242 tlogG= -0.048232 logG= -0.058474 logGD-logG0= -0.010722 tlogG= -0.047705 logG= -0.058426 Density= 0.429965 ETOT(band)= -0.468316 trlgG= -0.589471 logG= -0.058474 TDE= -0.342533 Density= 0.431017 ETOT(band)= -0.467512 trlgG= -0.588790 logG= -0.058426 TDE= -0.342782 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010277 tlogG= -0.047968 logG= -0.058245 logGD-logG0= -0.010452 tlogG= -0.048082 logG= -0.058533 Density= 0.429134 ETOT(band)= -0.468275 trlgG= -0.588349 logG= -0.058245 TDE= -0.342158 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430072 ETOT(band)= -0.468147 trlgG= -0.589143 logG= -0.058533 TDE= -0.342658 logGD-logG0= -0.009781 tlogG= -0.047864 logG= -0.057645 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429067 ETOT(band)= -0.467977 trlgG= -0.587904 logG= -0.057645 TDE= -0.342258 logGD-logG0= -0.009569 tlogG= -0.047779 logG= -0.057349 Density= 0.427110 ETOT(band)= -0.467967 trlgG= -0.585917 logG= -0.057349 TDE= -0.341505 logGD-logG0= -0.009467 tlogG= -0.046618 logG= -0.056086 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428029 ETOT(band)= -0.466899 trlgG= -0.584537 logG= -0.056086 TDE= -0.341641 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010620 tlogG= -0.047740 logG= -0.058360 logGD-logG0= -0.009896 tlogG= -0.046411 logG= -0.056308 Density= 0.429459 ETOT(band)= -0.465606 trlgG= -0.581606 logG= -0.056308 TDE= -0.341336 Density= 0.430677 ETOT(band)= -0.467569 trlgG= -0.588430 logG= -0.058360 TDE= -0.342675 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010646 tlogG= -0.048030 logG= -0.058676 logGD-logG0= -0.009615 tlogG= -0.047660 logG= -0.057276 Density= 0.431257 ETOT(band)= -0.467794 trlgG= -0.589783 logG= -0.058676 TDE= -0.343047 Density= 0.426608 ETOT(band)= -0.468417 trlgG= -0.587064 logG= -0.057276 TDE= -0.341803 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009962 tlogG= -0.047570 logG= -0.057532 logGD-logG0= -0.010281 tlogG= -0.046941 logG= -0.057222 Density= 0.428539 ETOT(band)= -0.467530 trlgG= -0.586302 logG= -0.057532 TDE= -0.341957 Density= 0.429807 ETOT(band)= -0.466521 trlgG= -0.584305 logG= -0.057222 TDE= -0.341626 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004777 tlogG= -0.022332 logG= -0.027109 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214991 ETOT(band)= -0.231977 trlgG= -0.289133 logG= -0.027109 TDE= -0.170257 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010679 tlogG= -0.047279 logG= -0.057958 Density= 0.430407 ETOT(band)= -0.467146 trlgG= -0.586959 logG= -0.057958 TDE= -0.342291 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022333 logG= -0.027150 Density= 0.322816 ETOT(band)= -0.348017 trlgG= -0.434078 logG= -0.027150 TDE= -0.170251 logGD-logG0= -0.008924 tlogG= -0.048106 logG= -0.057030 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.425472 ETOT(band)= -0.468391 trlgG= -0.586546 logG= -0.057030 TDE= -0.341784 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010205 tlogG= -0.047581 logG= -0.057786 Density= 0.429937 ETOT(band)= -0.467167 trlgG= -0.586235 logG= -0.057786 TDE= -0.342071 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009932 tlogG= -0.044633 logG= -0.054565 Density= 0.324227 ETOT(band)= -0.346710 trlgG= -0.432022 logG= -0.054565 TDE= -0.340785 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001687 tlogG= -0.007119 logG= -0.008806 Density= 0.072216 ETOT(band)= -0.076487 trlgG= -0.094856 logG= -0.008806 TDE= -0.056624 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004899 tlogG= -0.022478 logG= -0.027378 Density= 0.214985 ETOT(band)= -0.231688 trlgG= -0.288089 logG= -0.027378 TDE= -0.170183 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.021212 logG= -0.026142 Density= 0.216304 ETOT(band)= -0.230063 trlgG= -0.285582 logG= -0.026142 TDE= -0.169804 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009780 tlogG= -0.044636 logG= -0.054416 Density= 0.431528 ETOT(band)= -0.462131 trlgG= -0.574826 logG= -0.054416 TDE= -0.340421 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.852333056476 eV TrLogG= -407.305520154911 eV Ratio to renormalize= 1.000198822556 rho-rho_expected=-0.004373226734 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 71) Finished k-point number 144 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964648424354814 0.940402930210078 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002432 tlogG= -0.012089 logG= -0.014521 logGD-logG0= -0.002614 tlogG= -0.012039 logG= -0.014653 Density= 0.053756 ETOT(band)= -0.058538 trlgG= -0.073716 logG= -0.014653 TDE= -0.085664 Density= 0.053577 ETOT(band)= -0.058549 trlgG= -0.073659 logG= -0.014521 TDE= -0.085651 logGD-logG0= -0.002344 tlogG= -0.011455 logG= -0.013798 Density= 0.053730 ETOT(band)= -0.058074 trlgG= -0.072532 logG= -0.013798 TDE= -0.085322 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002337 tlogG= -0.011890 logG= -0.014227 Density= 0.053554 ETOT(band)= -0.058405 trlgG= -0.073297 logG= -0.014227 TDE= -0.085571 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002638 tlogG= -0.011995 logG= -0.014634 Density= 0.053976 ETOT(band)= -0.058421 trlgG= -0.073700 logG= -0.014634 TDE= -0.085776 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022185 logG= -0.027159 Density= 0.108344 ETOT(band)= -0.115439 trlgG= -0.144019 logG= -0.027159 TDE= -0.170474 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004704 tlogG= -0.023680 logG= -0.028384 Density= 0.106584 ETOT(band)= -0.116967 trlgG= -0.146444 logG= -0.028384 TDE= -0.170803 logGD-logG0= -0.005053 tlogG= -0.022749 logG= -0.027802 Density= 0.108234 ETOT(band)= -0.115882 trlgG= -0.145063 logG= -0.027802 TDE= -0.170821 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004929 tlogG= -0.023904 logG= -0.028833 logGD-logG0= -0.004731 tlogG= -0.023700 logG= -0.028431 Density= 0.106962 ETOT(band)= -0.116850 trlgG= -0.146549 logG= -0.028431 TDE= -0.171048 Density= 0.106743 ETOT(band)= -0.117122 trlgG= -0.146971 logG= -0.028833 TDE= -0.170961 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023595 logG= -0.028928 Density= 0.107787 ETOT(band)= -0.116715 trlgG= -0.146841 logG= -0.028928 TDE= -0.171251 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009795 tlogG= -0.045618 logG= -0.055413 logGD-logG0= -0.009156 tlogG= -0.047655 logG= -0.056812 Density= 0.214336 ETOT(band)= -0.232674 trlgG= -0.290312 logG= -0.055413 TDE= -0.340963 Density= 0.212898 ETOT(band)= -0.234057 trlgG= -0.293021 logG= -0.056812 TDE= -0.341562 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009860 tlogG= -0.047179 logG= -0.057039 Density= 0.213751 ETOT(band)= -0.233802 trlgG= -0.292742 logG= -0.057039 TDE= -0.341478 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002474 tlogG= -0.010848 logG= -0.013321 Density= 0.054056 ETOT(band)= -0.057595 trlgG= -0.071573 logG= -0.013321 TDE= -0.085002 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021890 logG= -0.026899 Density= 0.108309 ETOT(band)= -0.115255 trlgG= -0.143570 logG= -0.026899 TDE= -0.170267 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001494 tlogG= -0.007815 logG= -0.009309 Density= 0.035488 ETOT(band)= -0.038928 trlgG= -0.048628 logG= -0.009309 TDE= -0.056880 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005855 logG= -0.001050 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004345 tlogG= -0.024063 logG= -0.028408 Density= 0.106103 ETOT(band)= -0.117173 trlgG= -0.146851 logG= -0.028408 TDE= -0.170948 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023217 logG= -0.027863 Density= 0.106723 ETOT(band)= -0.116629 trlgG= -0.145530 logG= -0.027863 TDE= -0.170479 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001413 tlogG= -0.008048 logG= -0.009461 logGD-logG0= -0.004758 tlogG= -0.023512 logG= -0.028270 Density= 0.106760 ETOT(band)= -0.116820 trlgG= -0.146014 logG= -0.028270 TDE= -0.170574 Density= 0.035308 ETOT(band)= -0.039079 trlgG= -0.048992 logG= -0.009461 TDE= -0.057004 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002569 tlogG= -0.011992 logG= -0.014561 Density= 0.054131 ETOT(band)= -0.058300 trlgG= -0.073579 logG= -0.014561 TDE= -0.085805 logGD-logG0= -0.005172 tlogG= -0.023779 logG= -0.028950 Density= 0.108164 ETOT(band)= -0.116550 trlgG= -0.146884 logG= -0.028950 TDE= -0.171459 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.022998 logG= -0.028123 Density= 0.108121 ETOT(band)= -0.116118 trlgG= -0.145574 logG= -0.028123 TDE= -0.170955 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.022863 logG= -0.027750 logGD-logG0= -0.004569 tlogG= -0.024058 logG= -0.028626 logGD-logG0= -0.005057 tlogG= -0.022472 logG= -0.027529 Density= 0.106374 ETOT(band)= -0.117161 trlgG= -0.146859 logG= -0.028626 TDE= -0.170872 Density= 0.107733 ETOT(band)= -0.116101 trlgG= -0.144990 logG= -0.027750 TDE= -0.170553 Density= 0.108188 ETOT(band)= -0.115745 trlgG= -0.144627 logG= -0.027529 TDE= -0.170635 logGD-logG0= -0.005159 tlogG= -0.023965 logG= -0.029124 Density= 0.108215 ETOT(band)= -0.116625 trlgG= -0.147163 logG= -0.029124 TDE= -0.171589 logGD-logG0= -0.005167 tlogG= -0.023446 logG= -0.028612 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.024084 logG= -0.029387 Density= 0.107629 ETOT(band)= -0.117077 trlgG= -0.147578 logG= -0.029387 TDE= -0.171451 Density= 0.108117 ETOT(band)= -0.116388 trlgG= -0.146349 logG= -0.028612 TDE= -0.171238 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004372 tlogG= -0.023986 logG= -0.028358 Density= 0.106155 ETOT(band)= -0.117129 trlgG= -0.146737 logG= -0.028358 TDE= -0.170910 logGD-logG0= -0.002413 tlogG= -0.010434 logG= -0.012846 Density= 0.054370 ETOT(band)= -0.057077 trlgG= -0.070727 logG= -0.012846 TDE= -0.084786 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004853 tlogG= -0.023702 logG= -0.028555 Density= 0.107365 ETOT(band)= -0.116731 trlgG= -0.146458 logG= -0.028555 TDE= -0.171033 logGD-logG0= -0.005118 tlogG= -0.023231 logG= -0.028349 Density= 0.108180 ETOT(band)= -0.116212 trlgG= -0.145930 logG= -0.028349 TDE= -0.171114 logGD-logG0= -0.005148 tlogG= -0.023620 logG= -0.028769 logGD-logG0= -0.005146 tlogG= -0.023887 logG= -0.029032 Density= 0.108235 ETOT(band)= -0.116561 trlgG= -0.147014 logG= -0.029032 TDE= -0.171542 logGD-logG0= -0.005253 tlogG= -0.023980 logG= -0.029233 Density= 0.107431 ETOT(band)= -0.117063 trlgG= -0.147305 logG= -0.029233 TDE= -0.171233 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.023654 logG= -0.028677 logGD-logG0= -0.005343 tlogG= -0.024149 logG= -0.029491 Density= 0.108189 ETOT(band)= -0.116435 trlgG= -0.146593 logG= -0.028769 TDE= -0.171362 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001698 tlogG= -0.007308 logG= -0.009006 Density= 0.035839 ETOT(band)= -0.038579 trlgG= -0.047931 logG= -0.009006 TDE= -0.056659 Density= 0.106965 ETOT(band)= -0.116939 trlgG= -0.146359 logG= -0.028677 TDE= -0.170613 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107797 ETOT(band)= -0.117073 trlgG= -0.147767 logG= -0.029491 TDE= -0.171620 logGD-logG0= -0.005310 tlogG= -0.024103 logG= -0.029412 Density= 0.107874 ETOT(band)= -0.116985 trlgG= -0.147642 logG= -0.029412 TDE= -0.171611 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004733 tlogG= -0.023001 logG= -0.027734 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106859 ETOT(band)= -0.116498 trlgG= -0.145268 logG= -0.027734 TDE= -0.170413 logGD-logG0= -0.005134 tlogG= -0.022888 logG= -0.028023 Density= 0.107602 ETOT(band)= -0.116305 trlgG= -0.145402 logG= -0.028023 TDE= -0.170627 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.023697 logG= -0.029007 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107218 ETOT(band)= -0.117010 trlgG= -0.146909 logG= -0.029007 TDE= -0.170959 logGD-logG0= -0.005035 tlogG= -0.022422 logG= -0.027456 Density= 0.107621 ETOT(band)= -0.115972 trlgG= -0.144506 logG= -0.027456 TDE= -0.170306 logGD-logG0= -0.005325 tlogG= -0.023209 logG= -0.028535 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107669 ETOT(band)= -0.116553 trlgG= -0.146212 logG= -0.028535 TDE= -0.170957 logGD-logG0= -0.005335 tlogG= -0.023915 logG= -0.029251 Density= 0.107738 ETOT(band)= -0.116943 trlgG= -0.147363 logG= -0.029251 TDE= -0.171426 logGD-logG0= -0.005017 tlogG= -0.024106 logG= -0.029123 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107366 ETOT(band)= -0.117042 trlgG= -0.147200 logG= -0.029123 TDE= -0.171207 logGD-logG0= -0.004763 tlogG= -0.022866 logG= -0.027629 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107283 ETOT(band)= -0.116245 trlgG= -0.145116 logG= -0.027629 TDE= -0.170577 logGD-logG0= -0.005296 tlogG= -0.023886 logG= -0.029181 logGD-logG0= -0.004904 tlogG= -0.024083 logG= -0.028987 Density= 0.107902 ETOT(band)= -0.116811 trlgG= -0.147256 logG= -0.029181 TDE= -0.171471 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107043 ETOT(band)= -0.117103 trlgG= -0.147226 logG= -0.028987 TDE= -0.171209 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009830 tlogG= -0.048271 logG= -0.058102 Density= 0.214375 ETOT(band)= -0.234165 trlgG= -0.294526 logG= -0.058102 TDE= -0.342508 logGD-logG0= -0.005285 tlogG= -0.024074 logG= -0.029358 Density= 0.107933 ETOT(band)= -0.116918 trlgG= -0.147553 logG= -0.029358 TDE= -0.171606 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009516 tlogG= -0.045788 logG= -0.055304 Density= 0.214990 ETOT(band)= -0.232324 trlgG= -0.290134 logG= -0.055304 TDE= -0.341218 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009696 tlogG= -0.047187 logG= -0.056883 Density= 0.213740 ETOT(band)= -0.233758 trlgG= -0.292951 logG= -0.056883 TDE= -0.341837 logGD-logG0= -0.010552 tlogG= -0.047774 logG= -0.058327 logGD-logG0= -0.009976 tlogG= -0.047928 logG= -0.057904 Density= 0.213943 ETOT(band)= -0.234203 trlgG= -0.294215 logG= -0.057904 TDE= -0.342180 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214732 ETOT(band)= -0.234089 trlgG= -0.294362 logG= -0.058327 TDE= -0.342295 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009587 tlogG= -0.047955 logG= -0.057541 Density= 0.213246 ETOT(band)= -0.234266 trlgG= -0.293666 logG= -0.057541 TDE= -0.341650 logGD-logG0= -0.010356 tlogG= -0.048007 logG= -0.058363 Density= 0.215048 ETOT(band)= -0.233998 trlgG= -0.294457 logG= -0.058363 TDE= -0.342510 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010508 tlogG= -0.048109 logG= -0.058616 logGD-logG0= -0.009469 tlogG= -0.047475 logG= -0.056944 Density= 0.214284 ETOT(band)= -0.233590 trlgG= -0.293081 logG= -0.056944 TDE= -0.342176 Density= 0.215045 ETOT(band)= -0.234143 trlgG= -0.294873 logG= -0.058616 TDE= -0.342672 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010417 tlogG= -0.047814 logG= -0.058231 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214631 ETOT(band)= -0.234083 trlgG= -0.294193 logG= -0.058231 TDE= -0.342172 logGD-logG0= -0.010218 tlogG= -0.047686 logG= -0.057904 logGD-logG0= -0.010589 tlogG= -0.048042 logG= -0.058632 Density= 0.215082 ETOT(band)= -0.234134 trlgG= -0.294900 logG= -0.058632 TDE= -0.342702 logGD-logG0= -0.010100 tlogG= -0.048056 logG= -0.058156 Density= 0.214506 ETOT(band)= -0.234112 trlgG= -0.294275 logG= -0.058156 TDE= -0.342267 logGD-logG0= -0.010446 tlogG= -0.047334 logG= -0.057780 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213924 ETOT(band)= -0.234190 trlgG= -0.293967 logG= -0.057904 TDE= -0.341923 Density= 0.214236 ETOT(band)= -0.233983 trlgG= -0.293443 logG= -0.057780 TDE= -0.341678 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.045677 logG= -0.055578 Density= 0.215123 ETOT(band)= -0.232400 trlgG= -0.290126 logG= -0.055578 TDE= -0.341002 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001631 tlogG= -0.006997 logG= -0.008627 Density= 0.036191 ETOT(band)= -0.038130 trlgG= -0.047270 logG= -0.008627 TDE= -0.056552 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010215 tlogG= -0.046440 logG= -0.056654 Density= 0.215189 ETOT(band)= -0.232962 trlgG= -0.291760 logG= -0.056654 TDE= -0.341593 logGD-logG0= -0.010567 tlogG= -0.047973 logG= -0.058540 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215871 ETOT(band)= -0.233706 trlgG= -0.294807 logG= -0.058540 TDE= -0.343091 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010641 tlogG= -0.047560 logG= -0.058201 Density= 0.215675 ETOT(band)= -0.233590 trlgG= -0.294244 logG= -0.058201 TDE= -0.342770 logGD-logG0= -0.010612 tlogG= -0.047449 logG= -0.058060 Density= 0.215442 ETOT(band)= -0.233630 trlgG= -0.294004 logG= -0.058060 TDE= -0.342555 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.048173 logG= -0.058875 logGD-logG0= -0.010654 tlogG= -0.046906 logG= -0.057560 Density= 0.215404 ETOT(band)= -0.233353 trlgG= -0.293203 logG= -0.057560 TDE= -0.342236 Density= 0.215398 ETOT(band)= -0.234160 trlgG= -0.295338 logG= -0.058875 TDE= -0.343052 logGD-logG0= -0.009824 tlogG= -0.047252 logG= -0.057076 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214451 ETOT(band)= -0.233550 trlgG= -0.292854 logG= -0.057076 TDE= -0.341899 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047921 logG= -0.058543 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215742 ETOT(band)= -0.233779 trlgG= -0.294809 logG= -0.058543 TDE= -0.343026 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010126 tlogG= -0.047180 logG= -0.057306 Density= 0.215125 ETOT(band)= -0.233364 trlgG= -0.292778 logG= -0.057306 TDE= -0.341926 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.021708 logG= -0.026739 Density= 0.107918 ETOT(band)= -0.115351 trlgG= -0.143321 logG= -0.026739 TDE= -0.169985 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004923 tlogG= -0.021579 logG= -0.026503 Density= 0.108499 ETOT(band)= -0.114889 trlgG= -0.142890 logG= -0.026503 TDE= -0.170078 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.021831 logG= -0.026922 Density= 0.107775 ETOT(band)= -0.115544 trlgG= -0.143631 logG= -0.026922 TDE= -0.170041 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004843 tlogG= -0.021004 logG= -0.025847 Density= 0.108695 ETOT(band)= -0.114301 trlgG= -0.141733 logG= -0.025847 TDE= -0.169674 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010057 tlogG= -0.043417 logG= -0.053474 Density= 0.216249 ETOT(band)= -0.230492 trlgG= -0.286619 logG= -0.053474 TDE= -0.340156 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001282 tlogG= -0.005943 logG= -0.007224 Density= 0.080822 ETOT(band)= -0.087656 trlgG= -0.110415 logG= -0.007224 TDE= -0.042868 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005859 logG= -0.007136 Density= 0.080638 ETOT(band)= -0.087621 trlgG= -0.110218 logG= -0.007136 TDE= -0.042814 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001242 tlogG= -0.005623 logG= -0.006865 Density= 0.080827 ETOT(band)= -0.086977 trlgG= -0.108660 logG= -0.006865 TDE= -0.042672 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005752 logG= -0.007014 Density= 0.080626 ETOT(band)= -0.087406 trlgG= -0.109663 logG= -0.007014 TDE= -0.042749 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007268 Density= 0.081051 ETOT(band)= -0.087559 trlgG= -0.110468 logG= -0.007268 TDE= -0.042898 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.022983 logG= -0.028180 Density= 0.216198 ETOT(band)= -0.232106 trlgG= -0.290727 logG= -0.028180 TDE= -0.170910 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.023258 logG= -0.028058 Density= 0.213472 ETOT(band)= -0.233636 trlgG= -0.292362 logG= -0.028058 TDE= -0.170753 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.023850 logG= -0.028702 Density= 0.213547 ETOT(band)= -0.234169 trlgG= -0.293879 logG= -0.028702 TDE= -0.171058 logGD-logG0= -0.005430 tlogG= -0.023700 logG= -0.029130 Density= 0.215383 ETOT(band)= -0.233633 trlgG= -0.293993 logG= -0.029130 TDE= -0.171266 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008996 tlogG= -0.048120 logG= -0.057115 logGD-logG0= -0.004669 tlogG= -0.023384 logG= -0.028054 Density= 0.425480 ETOT(band)= -0.468384 trlgG= -0.586736 logG= -0.057115 TDE= -0.341796 logGD-logG0= -0.005136 tlogG= -0.022454 logG= -0.027589 Density= 0.216342 ETOT(band)= -0.231309 trlgG= -0.288742 logG= -0.027589 TDE= -0.170576 Density= 0.214156 ETOT(band)= -0.233395 trlgG= -0.292475 logG= -0.028054 TDE= -0.170917 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009486 tlogG= -0.046737 logG= -0.056223 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427839 ETOT(band)= -0.466173 trlgG= -0.582120 logG= -0.056223 TDE= -0.341237 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009642 tlogG= -0.047793 logG= -0.057435 Density= 0.427124 ETOT(band)= -0.467961 trlgG= -0.586107 logG= -0.057435 TDE= -0.341517 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010004 tlogG= -0.044649 logG= -0.054653 Density= 0.324245 ETOT(band)= -0.346710 trlgG= -0.432164 logG= -0.054653 TDE= -0.340797 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005472 logG= -0.006701 Density= 0.081189 ETOT(band)= -0.086364 trlgG= -0.107422 logG= -0.006701 TDE= -0.042575 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004319 tlogG= -0.024143 logG= -0.028462 Density= 0.212144 ETOT(band)= -0.234396 trlgG= -0.293825 logG= -0.028462 TDE= -0.170986 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004622 tlogG= -0.023902 logG= -0.028524 Density= 0.213255 ETOT(band)= -0.233883 trlgG= -0.292631 logG= -0.028524 TDE= -0.170792 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004452 tlogG= -0.023752 logG= -0.028204 Density= 0.213060 ETOT(band)= -0.233607 trlgG= -0.291901 logG= -0.028204 TDE= -0.170788 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001439 tlogG= -0.007970 logG= -0.009409 Density= 0.070858 ETOT(band)= -0.077957 trlgG= -0.097499 logG= -0.009409 TDE= -0.056965 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007592 logG= -0.009171 Density= 0.071488 ETOT(band)= -0.077355 trlgG= -0.096201 logG= -0.009171 TDE= -0.056740 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.024017 logG= -0.029257 Density= 0.215660 ETOT(band)= -0.233879 trlgG= -0.294963 logG= -0.029257 TDE= -0.171587 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023496 logG= -0.028766 Density= 0.215189 ETOT(band)= -0.233350 trlgG= -0.293045 logG= -0.028766 TDE= -0.171177 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.024015 logG= -0.029219 Density= 0.216329 ETOT(band)= -0.233361 trlgG= -0.294486 logG= -0.029219 TDE= -0.171604 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.024020 logG= -0.028809 Density= 0.321526 ETOT(band)= -0.351141 trlgG= -0.441546 logG= -0.028809 TDE= -0.171234 logGD-logG0= -0.005274 tlogG= -0.023815 logG= -0.029089 Density= 0.215308 ETOT(band)= -0.233785 trlgG= -0.294308 logG= -0.029089 TDE= -0.171434 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005311 logG= -0.006520 logGD-logG0= -0.005093 tlogG= -0.023858 logG= -0.028952 Density= 0.215470 ETOT(band)= -0.233781 trlgG= -0.294413 logG= -0.028952 TDE= -0.171123 Density= 0.081547 ETOT(band)= -0.085696 trlgG= -0.106262 logG= -0.006520 TDE= -0.042463 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010438 tlogG= -0.047817 logG= -0.058255 Density= 0.324311 ETOT(band)= -0.349947 trlgG= -0.441227 logG= -0.058255 TDE= -0.343049 logGD-logG0= -0.004597 tlogG= -0.023984 logG= -0.028581 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212782 ETOT(band)= -0.234293 trlgG= -0.293625 logG= -0.028581 TDE= -0.170840 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023430 logG= -0.028654 Density= 0.216171 ETOT(band)= -0.232680 trlgG= -0.292343 logG= -0.028654 TDE= -0.171198 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.024176 logG= -0.029238 Density= 0.322402 ETOT(band)= -0.351254 trlgG= -0.442225 logG= -0.029238 TDE= -0.171240 logGD-logG0= -0.005334 tlogG= -0.024138 logG= -0.029472 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.024170 logG= -0.029206 Density= 0.215693 ETOT(band)= -0.234035 trlgG= -0.295379 logG= -0.029472 TDE= -0.171619 Density= 0.214716 ETOT(band)= -0.234189 trlgG= -0.294666 logG= -0.029206 TDE= -0.171245 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001191 tlogG= -0.005175 logG= -0.006366 Density= 0.062532 ETOT(band)= -0.067551 trlgG= -0.084248 logG= -0.006366 TDE= -0.042362 logGD-logG0= -0.005197 tlogG= -0.023972 logG= -0.029169 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216363 ETOT(band)= -0.233257 trlgG= -0.294254 logG= -0.029169 TDE= -0.171578 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004937 tlogG= -0.023894 logG= -0.028831 Density= 0.213762 ETOT(band)= -0.234030 trlgG= -0.293143 logG= -0.028831 TDE= -0.170802 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004507 tlogG= -0.023598 logG= -0.028106 logGD-logG0= -0.001587 tlogG= -0.006879 logG= -0.008466 Density= 0.040842 ETOT(band)= -0.042678 trlgG= -0.052824 logG= -0.008466 TDE= -0.056466 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009718 tlogG= -0.046632 logG= -0.056351 logGD-logG0= -0.010482 tlogG= -0.046445 logG= -0.056927 Density= 0.322665 ETOT(band)= -0.349047 trlgG= -0.436609 logG= -0.056351 TDE= -0.341628 logGD-logG0= -0.010213 tlogG= -0.045656 logG= -0.055869 Density= 0.324003 ETOT(band)= -0.347980 trlgG= -0.435176 logG= -0.055869 TDE= -0.341475 logGD-logG0= -0.005267 tlogG= -0.024097 logG= -0.029364 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323023 ETOT(band)= -0.351227 trlgG= -0.442877 logG= -0.029364 TDE= -0.171433 Density= 0.323956 ETOT(band)= -0.348924 trlgG= -0.437795 logG= -0.056927 TDE= -0.342099 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023777 logG= -0.028994 Density= 0.216252 ETOT(band)= -0.233059 trlgG= -0.293549 logG= -0.028994 TDE= -0.171436 logGD-logG0= -0.005095 tlogG= -0.023971 logG= -0.029066 Density= 0.212592 ETOT(band)= -0.234014 trlgG= -0.292876 logG= -0.028106 TDE= -0.170703 Density= 0.214315 ETOT(band)= -0.234116 trlgG= -0.294051 logG= -0.029066 TDE= -0.171072 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005382 tlogG= -0.023914 logG= -0.029295 Density= 0.215620 ETOT(band)= -0.233781 trlgG= -0.294690 logG= -0.029295 TDE= -0.171443 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047266 logG= -0.057750 Density= 0.324093 ETOT(band)= -0.349580 trlgG= -0.439880 logG= -0.057750 TDE= -0.342657 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010725 tlogG= -0.048069 logG= -0.058794 Density= 0.323209 ETOT(band)= -0.351019 trlgG= -0.442573 logG= -0.058794 TDE= -0.343042 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.023258 logG= -0.028305 Density= 0.321664 ETOT(band)= -0.350599 trlgG= -0.439821 logG= -0.028305 TDE= -0.170864 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.023973 logG= -0.029340 Density= 0.323623 ETOT(band)= -0.350691 trlgG= -0.442317 logG= -0.029340 TDE= -0.171491 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.024020 logG= -0.028778 logGD-logG0= -0.005454 tlogG= -0.023368 logG= -0.028821 Density= 0.215081 ETOT(band)= -0.233375 trlgG= -0.292853 logG= -0.028821 TDE= -0.170972 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214094 ETOT(band)= -0.234108 trlgG= -0.294268 logG= -0.028778 TDE= -0.171239 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023381 logG= -0.028082 Density= 0.321595 ETOT(band)= -0.350093 trlgG= -0.438970 logG= -0.028082 TDE= -0.170909 logGD-logG0= -0.005189 tlogG= -0.023207 logG= -0.028395 Density= 0.214842 ETOT(band)= -0.232976 trlgG= -0.291358 logG= -0.028395 TDE= -0.170628 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.022917 logG= -0.027904 Density= 0.214770 ETOT(band)= -0.232422 trlgG= -0.289827 logG= -0.027904 TDE= -0.170440 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009675 tlogG= -0.047867 logG= -0.057542 Density= 0.427984 ETOT(band)= -0.468199 trlgG= -0.588122 logG= -0.057542 TDE= -0.342284 logGD-logG0= -0.010179 tlogG= -0.048176 logG= -0.058355 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429250 ETOT(band)= -0.468311 trlgG= -0.588893 logG= -0.058355 TDE= -0.342330 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.021316 logG= -0.026240 logGD-logG0= -0.010290 tlogG= -0.047695 logG= -0.057985 Density= 0.162628 ETOT(band)= -0.173004 trlgG= -0.216020 logG= -0.026240 TDE= -0.169890 Density= 0.428240 ETOT(band)= -0.468182 trlgG= -0.587453 logG= -0.057985 TDE= -0.341925 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.048098 logG= -0.058621 Density= 0.430092 ETOT(band)= -0.468146 trlgG= -0.589335 logG= -0.058621 TDE= -0.342671 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009538 tlogG= -0.046635 logG= -0.056172 Density= 0.428043 ETOT(band)= -0.466896 trlgG= -0.584728 logG= -0.056172 TDE= -0.341653 logGD-logG0= -0.010348 tlogG= -0.047984 logG= -0.058332 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429153 ETOT(band)= -0.468273 trlgG= -0.588539 logG= -0.058332 TDE= -0.342171 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010692 tlogG= -0.047756 logG= -0.058448 Density= 0.430699 ETOT(band)= -0.467569 trlgG= -0.588620 logG= -0.058448 TDE= -0.342688 logGD-logG0= -0.010313 tlogG= -0.048248 logG= -0.058561 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429986 ETOT(band)= -0.468316 trlgG= -0.589663 logG= -0.058561 TDE= -0.342546 logGD-logG0= -0.009688 tlogG= -0.047674 logG= -0.057362 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426619 ETOT(band)= -0.468411 trlgG= -0.587256 logG= -0.057362 TDE= -0.341815 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010790 tlogG= -0.047724 logG= -0.058514 logGD-logG0= -0.009852 tlogG= -0.047881 logG= -0.057732 Density= 0.431041 ETOT(band)= -0.467512 trlgG= -0.588979 logG= -0.058514 TDE= -0.342795 Density= 0.429083 ETOT(band)= -0.467976 trlgG= -0.588094 logG= -0.057732 TDE= -0.342270 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010032 tlogG= -0.047587 logG= -0.057619 Density= 0.428555 ETOT(band)= -0.467527 trlgG= -0.586492 logG= -0.057619 TDE= -0.341969 logGD-logG0= -0.010352 tlogG= -0.046958 logG= -0.057309 Density= 0.429827 ETOT(band)= -0.466518 trlgG= -0.584495 logG= -0.057309 TDE= -0.341639 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.048049 logG= -0.058764 Density= 0.431281 ETOT(band)= -0.467796 trlgG= -0.589973 logG= -0.058764 TDE= -0.343060 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009967 tlogG= -0.046428 logG= -0.056394 Density= 0.429478 ETOT(band)= -0.465603 trlgG= -0.581795 logG= -0.056394 TDE= -0.341348 logGD-logG0= -0.004853 tlogG= -0.022341 logG= -0.027193 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322832 ETOT(band)= -0.348016 trlgG= -0.434220 logG= -0.027193 TDE= -0.170257 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010751 tlogG= -0.047295 logG= -0.058046 Density= 0.430430 ETOT(band)= -0.467144 trlgG= -0.587148 logG= -0.058046 TDE= -0.342304 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047597 logG= -0.057873 Density= 0.429957 ETOT(band)= -0.467166 trlgG= -0.586425 logG= -0.057873 TDE= -0.342084 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007122 logG= -0.008821 Density= 0.072220 ETOT(band)= -0.076487 trlgG= -0.094887 logG= -0.008821 TDE= -0.056626 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004965 tlogG= -0.022306 logG= -0.027271 Density= 0.214234 ETOT(band)= -0.232463 trlgG= -0.289580 logG= -0.027271 TDE= -0.170176 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004936 tlogG= -0.022485 logG= -0.027421 Density= 0.214996 ETOT(band)= -0.231686 trlgG= -0.288183 logG= -0.027421 TDE= -0.170189 logGD-logG0= -0.004812 tlogG= -0.022340 logG= -0.027153 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215001 ETOT(band)= -0.231975 trlgG= -0.289227 logG= -0.027153 TDE= -0.170263 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004966 tlogG= -0.021221 logG= -0.026186 Density= 0.216318 ETOT(band)= -0.230063 trlgG= -0.285676 logG= -0.026186 TDE= -0.169810 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.021894 logG= -0.026991 Density= 0.216599 ETOT(band)= -0.230310 trlgG= -0.286623 logG= -0.026991 TDE= -0.170236 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009851 tlogG= -0.044652 logG= -0.054504 Density= 0.431553 ETOT(band)= -0.462129 trlgG= -0.575013 logG= -0.054504 TDE= -0.340434 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005007 tlogG= -0.021366 logG= -0.026373 Density= 0.216992 ETOT(band)= -0.229203 trlgG= -0.284419 logG= -0.026373 TDE= -0.169904 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.851221137604 eV TrLogG= -407.444372551990 eV Ratio to renormalize= 1.000152995715 rho-rho_expected=-0.003365390834 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964671485265777 0.940431133651391 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004345 tlogG= -0.024063 logG= -0.028408 Density= 0.106103 ETOT(band)= -0.117173 trlgG= -0.146850 logG= -0.028408 TDE= -0.170948 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023217 logG= -0.027863 Density= 0.106723 ETOT(band)= -0.116629 trlgG= -0.145530 logG= -0.027863 TDE= -0.170479 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.022421 logG= -0.027456 Density= 0.107621 ETOT(band)= -0.115972 trlgG= -0.144505 logG= -0.027456 TDE= -0.170306 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.023511 logG= -0.028270 Density= 0.106760 ETOT(band)= -0.116820 trlgG= -0.146014 logG= -0.028270 TDE= -0.170574 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002413 tlogG= -0.010433 logG= -0.012846 Density= 0.054371 ETOT(band)= -0.057077 trlgG= -0.070727 logG= -0.012846 TDE= -0.084786 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001698 tlogG= -0.007308 logG= -0.009006 Density= 0.035839 ETOT(band)= -0.038579 trlgG= -0.047931 logG= -0.009006 TDE= -0.056659 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004842 tlogG= -0.021004 logG= -0.025846 Density= 0.108695 ETOT(band)= -0.114301 trlgG= -0.141733 logG= -0.025846 TDE= -0.169674 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021708 logG= -0.026739 Density= 0.107918 ETOT(band)= -0.115351 trlgG= -0.143321 logG= -0.026739 TDE= -0.169985 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002343 tlogG= -0.011454 logG= -0.013798 Density= 0.053730 ETOT(band)= -0.058074 trlgG= -0.072532 logG= -0.013798 TDE= -0.085322 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004569 tlogG= -0.024057 logG= -0.028626 Density= 0.106375 ETOT(band)= -0.117161 trlgG= -0.146859 logG= -0.028626 TDE= -0.170873 logGD-logG0= -0.005310 tlogG= -0.023697 logG= -0.029007 logGD-logG0= -0.005118 tlogG= -0.023230 logG= -0.028348 Density= 0.108180 ETOT(band)= -0.116211 trlgG= -0.145930 logG= -0.028348 TDE= -0.171114 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107218 ETOT(band)= -0.117010 trlgG= -0.146909 logG= -0.029007 TDE= -0.170959 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.023904 logG= -0.028832 logGD-logG0= -0.004704 tlogG= -0.023680 logG= -0.028384 Density= 0.106743 ETOT(band)= -0.117122 trlgG= -0.146971 logG= -0.028832 TDE= -0.170961 Density= 0.106584 ETOT(band)= -0.116967 trlgG= -0.146444 logG= -0.028384 TDE= -0.170803 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.022888 logG= -0.028022 Density= 0.107602 ETOT(band)= -0.116305 trlgG= -0.145402 logG= -0.028022 TDE= -0.170627 logGD-logG0= -0.004731 tlogG= -0.023700 logG= -0.028431 Density= 0.106962 ETOT(band)= -0.116850 trlgG= -0.146549 logG= -0.028431 TDE= -0.171048 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005855 logG= -0.001050 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001494 tlogG= -0.007815 logG= -0.009309 Density= 0.035488 ETOT(band)= -0.038928 trlgG= -0.048628 logG= -0.009309 TDE= -0.056880 logGD-logG0= -0.001413 tlogG= -0.008048 logG= -0.009461 Density= 0.035308 ETOT(band)= -0.039079 trlgG= -0.048992 logG= -0.009461 TDE= -0.057004 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004372 tlogG= -0.023986 logG= -0.028358 logGD-logG0= -0.002432 tlogG= -0.012089 logG= -0.014520 Density= 0.106155 ETOT(band)= -0.117129 trlgG= -0.146737 logG= -0.028358 TDE= -0.170910 Density= 0.053577 ETOT(band)= -0.058549 trlgG= -0.073658 logG= -0.014520 TDE= -0.085651 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002614 tlogG= -0.012039 logG= -0.014653 Density= 0.053756 ETOT(band)= -0.058538 trlgG= -0.073716 logG= -0.014653 TDE= -0.085664 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002336 tlogG= -0.011890 logG= -0.014227 Density= 0.053555 ETOT(band)= -0.058405 trlgG= -0.073296 logG= -0.014227 TDE= -0.085571 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004732 tlogG= -0.023001 logG= -0.027733 Density= 0.106859 ETOT(band)= -0.116498 trlgG= -0.145267 logG= -0.027733 TDE= -0.170413 logGD-logG0= -0.002569 tlogG= -0.011991 logG= -0.014561 Density= 0.054131 ETOT(band)= -0.058300 trlgG= -0.073579 logG= -0.014561 TDE= -0.085805 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005171 tlogG= -0.023779 logG= -0.028950 Density= 0.108164 ETOT(band)= -0.116550 trlgG= -0.146884 logG= -0.028950 TDE= -0.171459 logGD-logG0= -0.002638 tlogG= -0.011995 logG= -0.014634 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053976 ETOT(band)= -0.058421 trlgG= -0.073700 logG= -0.014634 TDE= -0.085776 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023445 logG= -0.028612 Density= 0.108117 ETOT(band)= -0.116388 trlgG= -0.146348 logG= -0.028612 TDE= -0.171238 logGD-logG0= -0.005057 tlogG= -0.022472 logG= -0.027529 Density= 0.108189 ETOT(band)= -0.115745 trlgG= -0.144626 logG= -0.027529 TDE= -0.170635 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023965 logG= -0.029123 logGD-logG0= -0.004853 tlogG= -0.023701 logG= -0.028554 Density= 0.107365 ETOT(band)= -0.116731 trlgG= -0.146458 logG= -0.028554 TDE= -0.171033 Density= 0.108215 ETOT(band)= -0.116625 trlgG= -0.147162 logG= -0.029123 TDE= -0.171589 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022184 logG= -0.027159 logGD-logG0= -0.005125 tlogG= -0.022997 logG= -0.028122 Density= 0.108121 ETOT(band)= -0.116118 trlgG= -0.145574 logG= -0.028122 TDE= -0.170955 logGD-logG0= -0.005335 tlogG= -0.023915 logG= -0.029250 logGD-logG0= -0.004886 tlogG= -0.022863 logG= -0.027749 Density= 0.107734 ETOT(band)= -0.116101 trlgG= -0.144990 logG= -0.027749 TDE= -0.170553 Density= 0.108344 ETOT(band)= -0.115439 trlgG= -0.144019 logG= -0.027159 TDE= -0.170474 Density= 0.107738 ETOT(band)= -0.116943 trlgG= -0.147362 logG= -0.029250 TDE= -0.171426 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024102 logG= -0.029412 logGD-logG0= -0.005303 tlogG= -0.024084 logG= -0.029387 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107874 ETOT(band)= -0.116985 trlgG= -0.147641 logG= -0.029412 TDE= -0.171611 logGD-logG0= -0.005148 tlogG= -0.023620 logG= -0.028768 Density= 0.108190 ETOT(band)= -0.116435 trlgG= -0.146593 logG= -0.028768 TDE= -0.171362 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107629 ETOT(band)= -0.117077 trlgG= -0.147578 logG= -0.029387 TDE= -0.171451 logGD-logG0= -0.005146 tlogG= -0.023886 logG= -0.029032 Density= 0.108236 ETOT(band)= -0.116561 trlgG= -0.147013 logG= -0.029032 TDE= -0.171542 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005343 tlogG= -0.024148 logG= -0.029491 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107797 ETOT(band)= -0.117073 trlgG= -0.147767 logG= -0.029491 TDE= -0.171620 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.023654 logG= -0.028677 Density= 0.106965 ETOT(band)= -0.116939 trlgG= -0.146358 logG= -0.028677 TDE= -0.170613 logGD-logG0= -0.005017 tlogG= -0.024106 logG= -0.029123 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107366 ETOT(band)= -0.117042 trlgG= -0.147199 logG= -0.029123 TDE= -0.171207 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001631 tlogG= -0.006996 logG= -0.008627 Density= 0.036191 ETOT(band)= -0.038130 trlgG= -0.047270 logG= -0.008627 TDE= -0.056552 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005053 tlogG= -0.022748 logG= -0.027801 Density= 0.108234 ETOT(band)= -0.115882 trlgG= -0.145063 logG= -0.027801 TDE= -0.170821 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023980 logG= -0.029233 Density= 0.107431 ETOT(band)= -0.117063 trlgG= -0.147304 logG= -0.029233 TDE= -0.171234 logGD-logG0= -0.004904 tlogG= -0.024082 logG= -0.028986 Density= 0.107043 ETOT(band)= -0.117103 trlgG= -0.147225 logG= -0.028986 TDE= -0.171209 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.023209 logG= -0.028534 logGD-logG0= -0.005284 tlogG= -0.024074 logG= -0.029358 Density= 0.107670 ETOT(band)= -0.116553 trlgG= -0.146211 logG= -0.028534 TDE= -0.170958 Density= 0.107934 ETOT(band)= -0.116918 trlgG= -0.147553 logG= -0.029358 TDE= -0.171606 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004763 tlogG= -0.022865 logG= -0.027628 Density= 0.107283 ETOT(band)= -0.116245 trlgG= -0.145116 logG= -0.027628 TDE= -0.170577 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.023885 logG= -0.029181 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107902 ETOT(band)= -0.116811 trlgG= -0.147256 logG= -0.029181 TDE= -0.171471 logGD-logG0= -0.009830 tlogG= -0.048271 logG= -0.058101 Density= 0.214375 ETOT(band)= -0.234165 trlgG= -0.294526 logG= -0.058101 TDE= -0.342509 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.023595 logG= -0.028928 logGD-logG0= -0.009516 tlogG= -0.045787 logG= -0.055303 Density= 0.214991 ETOT(band)= -0.232324 trlgG= -0.290133 logG= -0.055303 TDE= -0.341218 Density= 0.107787 ETOT(band)= -0.116715 trlgG= -0.146841 logG= -0.028928 TDE= -0.171251 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009156 tlogG= -0.047655 logG= -0.056811 Density= 0.212899 ETOT(band)= -0.234057 trlgG= -0.293020 logG= -0.056811 TDE= -0.341562 logGD-logG0= -0.009695 tlogG= -0.047187 logG= -0.056882 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213740 ETOT(band)= -0.233758 trlgG= -0.292950 logG= -0.056882 TDE= -0.341837 logGD-logG0= -0.009795 tlogG= -0.045617 logG= -0.055412 Density= 0.214337 ETOT(band)= -0.232674 trlgG= -0.290311 logG= -0.055412 TDE= -0.340963 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.047774 logG= -0.058326 Density= 0.214732 ETOT(band)= -0.234089 trlgG= -0.294361 logG= -0.058326 TDE= -0.342295 logGD-logG0= -0.009975 tlogG= -0.047927 logG= -0.057903 logGD-logG0= -0.010508 tlogG= -0.048108 logG= -0.058615 Density= 0.215046 ETOT(band)= -0.234143 trlgG= -0.294872 logG= -0.058615 TDE= -0.342672 logGD-logG0= -0.009860 tlogG= -0.047178 logG= -0.057038 Density= 0.213752 ETOT(band)= -0.233802 trlgG= -0.292741 logG= -0.057038 TDE= -0.341479 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009468 tlogG= -0.047474 logG= -0.056943 Density= 0.213943 ETOT(band)= -0.234203 trlgG= -0.294214 logG= -0.057903 TDE= -0.342181 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214284 ETOT(band)= -0.233589 trlgG= -0.293080 logG= -0.056943 TDE= -0.342176 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.047954 logG= -0.057540 Density= 0.213246 ETOT(band)= -0.234266 trlgG= -0.293666 logG= -0.057540 TDE= -0.341650 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010356 tlogG= -0.048006 logG= -0.058362 logGD-logG0= -0.004319 tlogG= -0.024143 logG= -0.028462 Density= 0.212144 ETOT(band)= -0.234396 trlgG= -0.293824 logG= -0.028462 TDE= -0.170987 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010417 tlogG= -0.047814 logG= -0.058230 Density= 0.215048 ETOT(band)= -0.233998 trlgG= -0.294456 logG= -0.058362 TDE= -0.342510 logGD-logG0= -0.010589 tlogG= -0.048042 logG= -0.058631 logGD-logG0= -0.004923 tlogG= -0.021579 logG= -0.026502 logGD-logG0= -0.010100 tlogG= -0.048056 logG= -0.058155 Density= 0.214506 ETOT(band)= -0.234112 trlgG= -0.294274 logG= -0.058155 TDE= -0.342267 Density= 0.215083 ETOT(band)= -0.234134 trlgG= -0.294899 logG= -0.058631 TDE= -0.342702 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214631 ETOT(band)= -0.234082 trlgG= -0.294192 logG= -0.058230 TDE= -0.342172 Density= 0.108499 ETOT(band)= -0.114888 trlgG= -0.142889 logG= -0.026502 TDE= -0.170078 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010217 tlogG= -0.047686 logG= -0.057903 Density= 0.213924 ETOT(band)= -0.234190 trlgG= -0.293966 logG= -0.057903 TDE= -0.341923 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004452 tlogG= -0.023752 logG= -0.028203 Density= 0.213060 ETOT(band)= -0.233607 trlgG= -0.291900 logG= -0.028203 TDE= -0.170788 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.045676 logG= -0.055577 logGD-logG0= -0.010641 tlogG= -0.047559 logG= -0.058200 Density= 0.215123 ETOT(band)= -0.232400 trlgG= -0.290125 logG= -0.055577 TDE= -0.341002 Density= 0.215675 ETOT(band)= -0.233589 trlgG= -0.294243 logG= -0.058200 TDE= -0.342770 logGD-logG0= -0.010567 tlogG= -0.047972 logG= -0.058539 Density= 0.215871 ETOT(band)= -0.233706 trlgG= -0.294805 logG= -0.058539 TDE= -0.343091 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010612 tlogG= -0.047448 logG= -0.058059 Density= 0.215443 ETOT(band)= -0.233630 trlgG= -0.294003 logG= -0.058059 TDE= -0.342555 logGD-logG0= -0.010446 tlogG= -0.047333 logG= -0.057779 logGD-logG0= -0.004622 tlogG= -0.023902 logG= -0.028524 Density= 0.213256 ETOT(band)= -0.233882 trlgG= -0.292630 logG= -0.028524 TDE= -0.170792 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.048172 logG= -0.058874 Density= 0.214237 ETOT(band)= -0.233982 trlgG= -0.293442 logG= -0.057779 TDE= -0.341678 Density= 0.215398 ETOT(band)= -0.234160 trlgG= -0.295337 logG= -0.058874 TDE= -0.343052 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009824 tlogG= -0.047251 logG= -0.057075 Density= 0.214451 ETOT(band)= -0.233550 trlgG= -0.292853 logG= -0.057075 TDE= -0.341899 logGD-logG0= -0.010621 tlogG= -0.047921 logG= -0.058542 logGD-logG0= -0.010654 tlogG= -0.046906 logG= -0.057559 Density= 0.215404 ETOT(band)= -0.233353 trlgG= -0.293202 logG= -0.057559 TDE= -0.342236 Density= 0.215743 ETOT(band)= -0.233779 trlgG= -0.294808 logG= -0.058542 TDE= -0.343026 logGD-logG0= -0.010214 tlogG= -0.046439 logG= -0.056653 Density= 0.215190 ETOT(band)= -0.232962 trlgG= -0.291759 logG= -0.056653 TDE= -0.341593 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007592 logG= -0.009171 Density= 0.071488 ETOT(band)= -0.077355 trlgG= -0.096201 logG= -0.009171 TDE= -0.056740 logGD-logG0= -0.004987 tlogG= -0.022917 logG= -0.027903 Density= 0.214771 ETOT(band)= -0.232422 trlgG= -0.289826 logG= -0.027903 TDE= -0.170441 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002474 tlogG= -0.010848 logG= -0.013321 Density= 0.054056 ETOT(band)= -0.057595 trlgG= -0.071573 logG= -0.013321 TDE= -0.085002 logGD-logG0= -0.010126 tlogG= -0.047179 logG= -0.057305 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215125 ETOT(band)= -0.233364 trlgG= -0.292777 logG= -0.057305 TDE= -0.341927 logGD-logG0= -0.005090 tlogG= -0.021831 logG= -0.026922 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107775 ETOT(band)= -0.115543 trlgG= -0.143630 logG= -0.026922 TDE= -0.170041 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021889 logG= -0.026899 Density= 0.108309 ETOT(band)= -0.115255 trlgG= -0.143569 logG= -0.026899 TDE= -0.170267 logGD-logG0= -0.001209 tlogG= -0.005311 logG= -0.006520 Density= 0.081547 ETOT(band)= -0.085696 trlgG= -0.106262 logG= -0.006520 TDE= -0.042463 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010057 tlogG= -0.043416 logG= -0.053473 Density= 0.216250 ETOT(band)= -0.230492 trlgG= -0.286618 logG= -0.053473 TDE= -0.340156 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005007 tlogG= -0.021365 logG= -0.026372 Density= 0.216992 ETOT(band)= -0.229202 trlgG= -0.284418 logG= -0.026372 TDE= -0.169904 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004965 tlogG= -0.021221 logG= -0.026186 Density= 0.216318 ETOT(band)= -0.230062 trlgG= -0.285675 logG= -0.026186 TDE= -0.169810 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001242 tlogG= -0.005623 logG= -0.006865 Density= 0.080827 ETOT(band)= -0.086977 trlgG= -0.108660 logG= -0.006865 TDE= -0.042672 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.023970 logG= -0.029066 Density= 0.214315 ETOT(band)= -0.234116 trlgG= -0.294050 logG= -0.029066 TDE= -0.171072 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023430 logG= -0.028654 Density= 0.216171 ETOT(band)= -0.232680 trlgG= -0.292341 logG= -0.028654 TDE= -0.171198 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004596 tlogG= -0.023984 logG= -0.028581 Density= 0.212782 ETOT(band)= -0.234293 trlgG= -0.293624 logG= -0.028581 TDE= -0.170840 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.023850 logG= -0.028702 Density= 0.213547 ETOT(band)= -0.234169 trlgG= -0.293879 logG= -0.028702 TDE= -0.171058 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.023258 logG= -0.028058 Density= 0.213472 ETOT(band)= -0.233636 trlgG= -0.292361 logG= -0.028058 TDE= -0.170754 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004669 tlogG= -0.023384 logG= -0.028053 Density= 0.214157 ETOT(band)= -0.233395 trlgG= -0.292474 logG= -0.028053 TDE= -0.170917 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023206 logG= -0.028395 Density= 0.214842 ETOT(band)= -0.232976 trlgG= -0.291357 logG= -0.028395 TDE= -0.170628 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001439 tlogG= -0.007969 logG= -0.009409 Density= 0.070858 ETOT(band)= -0.077957 trlgG= -0.097499 logG= -0.009409 TDE= -0.056965 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005859 logG= -0.007136 Density= 0.080638 ETOT(band)= -0.087621 trlgG= -0.110218 logG= -0.007136 TDE= -0.042814 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004507 tlogG= -0.023598 logG= -0.028105 logGD-logG0= -0.001191 tlogG= -0.005175 logG= -0.006366 Density= 0.062532 ETOT(band)= -0.067551 trlgG= -0.084248 logG= -0.006366 TDE= -0.042362 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212592 ETOT(band)= -0.234014 trlgG= -0.292876 logG= -0.028105 TDE= -0.170704 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005751 logG= -0.007014 Density= 0.080626 ETOT(band)= -0.087405 trlgG= -0.109663 logG= -0.007014 TDE= -0.042749 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.006879 logG= -0.008466 Density= 0.040842 ETOT(band)= -0.042678 trlgG= -0.052824 logG= -0.008466 TDE= -0.056466 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007267 Density= 0.081051 ETOT(band)= -0.087558 trlgG= -0.110468 logG= -0.007267 TDE= -0.042898 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005943 logG= -0.007224 Density= 0.080822 ETOT(band)= -0.087656 trlgG= -0.110415 logG= -0.007224 TDE= -0.042868 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.024016 logG= -0.029257 Density= 0.215661 ETOT(band)= -0.233879 trlgG= -0.294962 logG= -0.029257 TDE= -0.171587 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023495 logG= -0.028765 Density= 0.215189 ETOT(band)= -0.233349 trlgG= -0.293044 logG= -0.028765 TDE= -0.171177 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023814 logG= -0.029089 Density= 0.215309 ETOT(band)= -0.233785 trlgG= -0.294307 logG= -0.029089 TDE= -0.171434 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.024137 logG= -0.029471 Density= 0.215693 ETOT(band)= -0.234035 trlgG= -0.295378 logG= -0.029471 TDE= -0.171620 logGD-logG0= -0.005204 tlogG= -0.024014 logG= -0.029219 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216329 ETOT(band)= -0.233361 trlgG= -0.294485 logG= -0.029219 TDE= -0.171604 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.024019 logG= -0.028809 Density= 0.321527 ETOT(band)= -0.351141 trlgG= -0.441545 logG= -0.028809 TDE= -0.171234 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023858 logG= -0.028951 Density= 0.215470 ETOT(band)= -0.233780 trlgG= -0.294412 logG= -0.028951 TDE= -0.171123 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.024175 logG= -0.029237 logGD-logG0= -0.010438 tlogG= -0.047816 logG= -0.058254 Density= 0.324312 ETOT(band)= -0.349946 trlgG= -0.441226 logG= -0.058254 TDE= -0.343049 Density= 0.322403 ETOT(band)= -0.351253 trlgG= -0.442223 logG= -0.029237 TDE= -0.171240 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023381 logG= -0.028082 Density= 0.321596 ETOT(band)= -0.350093 trlgG= -0.438968 logG= -0.028082 TDE= -0.170909 logGD-logG0= -0.005197 tlogG= -0.023971 logG= -0.029169 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216363 ETOT(band)= -0.233257 trlgG= -0.294252 logG= -0.029169 TDE= -0.171578 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010725 tlogG= -0.048068 logG= -0.058793 Density= 0.323209 ETOT(band)= -0.351018 trlgG= -0.442572 logG= -0.058793 TDE= -0.343042 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.022453 logG= -0.027589 logGD-logG0= -0.005217 tlogG= -0.023777 logG= -0.028994 Density= 0.216342 ETOT(band)= -0.231308 trlgG= -0.288741 logG= -0.027589 TDE= -0.170576 Density= 0.216252 ETOT(band)= -0.233059 trlgG= -0.293548 logG= -0.028994 TDE= -0.171436 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.023894 logG= -0.028830 Density= 0.213763 ETOT(band)= -0.234030 trlgG= -0.293142 logG= -0.028830 TDE= -0.170802 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047265 logG= -0.057749 Density= 0.324094 ETOT(band)= -0.349579 trlgG= -0.439878 logG= -0.057749 TDE= -0.342657 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.024097 logG= -0.029364 logGD-logG0= -0.010213 tlogG= -0.045655 logG= -0.055868 Density= 0.323024 ETOT(band)= -0.351227 trlgG= -0.442875 logG= -0.029364 TDE= -0.171433 Density= 0.324004 ETOT(band)= -0.347980 trlgG= -0.435174 logG= -0.055868 TDE= -0.341475 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.023257 logG= -0.028305 logGD-logG0= -0.009718 tlogG= -0.046631 logG= -0.056350 Density= 0.322666 ETOT(band)= -0.349047 trlgG= -0.436608 logG= -0.056350 TDE= -0.341628 logGD-logG0= -0.005196 tlogG= -0.022983 logG= -0.028179 Density= 0.216198 ETOT(band)= -0.232106 trlgG= -0.290726 logG= -0.028179 TDE= -0.170910 Density= 0.321664 ETOT(band)= -0.350599 trlgG= -0.439819 logG= -0.028305 TDE= -0.170864 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.024170 logG= -0.029206 logGD-logG0= -0.005382 tlogG= -0.023913 logG= -0.029295 Density= 0.214716 ETOT(band)= -0.234189 trlgG= -0.294665 logG= -0.029206 TDE= -0.171245 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.023973 logG= -0.029339 Density= 0.215621 ETOT(band)= -0.233781 trlgG= -0.294689 logG= -0.029295 TDE= -0.171443 Density= 0.323624 ETOT(band)= -0.350691 trlgG= -0.442315 logG= -0.029339 TDE= -0.171491 logGD-logG0= -0.004757 tlogG= -0.024020 logG= -0.028777 Density= 0.214094 ETOT(band)= -0.234108 trlgG= -0.294267 logG= -0.028777 TDE= -0.171239 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010482 tlogG= -0.046444 logG= -0.056926 Density= 0.323957 ETOT(band)= -0.348923 trlgG= -0.437793 logG= -0.056926 TDE= -0.342100 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007122 logG= -0.008820 Density= 0.072221 ETOT(band)= -0.076487 trlgG= -0.094887 logG= -0.008820 TDE= -0.056626 logGD-logG0= -0.008995 tlogG= -0.048119 logG= -0.057114 Density= 0.425481 ETOT(band)= -0.468384 trlgG= -0.586735 logG= -0.057114 TDE= -0.341796 logGD-logG0= -0.005430 tlogG= -0.023699 logG= -0.029129 Density= 0.215383 ETOT(band)= -0.233633 trlgG= -0.293992 logG= -0.029129 TDE= -0.171266 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.048175 logG= -0.058354 Density= 0.429251 ETOT(band)= -0.468311 trlgG= -0.588891 logG= -0.058354 TDE= -0.342330 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009486 tlogG= -0.046736 logG= -0.056222 logGD-logG0= -0.005454 tlogG= -0.023367 logG= -0.028821 Density= 0.427840 ETOT(band)= -0.466172 trlgG= -0.582119 logG= -0.056222 TDE= -0.341238 Density= 0.215082 ETOT(band)= -0.233375 trlgG= -0.292852 logG= -0.028821 TDE= -0.170972 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009537 tlogG= -0.046634 logG= -0.056171 logGD-logG0= -0.009675 tlogG= -0.047866 logG= -0.057541 Density= 0.428044 ETOT(band)= -0.466895 trlgG= -0.584726 logG= -0.056171 TDE= -0.341653 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427985 ETOT(band)= -0.468199 trlgG= -0.588120 logG= -0.057541 TDE= -0.342284 logGD-logG0= -0.004924 tlogG= -0.021316 logG= -0.026240 Density= 0.162628 ETOT(band)= -0.173003 trlgG= -0.216019 logG= -0.026240 TDE= -0.169890 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010348 tlogG= -0.047983 logG= -0.058331 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429154 ETOT(band)= -0.468272 trlgG= -0.588537 logG= -0.058331 TDE= -0.342171 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010313 tlogG= -0.048248 logG= -0.058560 logGD-logG0= -0.004965 tlogG= -0.022306 logG= -0.027271 Density= 0.214234 ETOT(band)= -0.232462 trlgG= -0.289579 logG= -0.027271 TDE= -0.170176 logGD-logG0= -0.009852 tlogG= -0.047880 logG= -0.057731 Density= 0.429084 ETOT(band)= -0.467975 trlgG= -0.588092 logG= -0.057731 TDE= -0.342271 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429986 ETOT(band)= -0.468315 trlgG= -0.589660 logG= -0.058560 TDE= -0.342546 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004935 tlogG= -0.022485 logG= -0.027420 Density= 0.214997 ETOT(band)= -0.231686 trlgG= -0.288182 logG= -0.027420 TDE= -0.170189 logGD-logG0= -0.010692 tlogG= -0.047755 logG= -0.058447 Density= 0.430700 ETOT(band)= -0.467569 trlgG= -0.588618 logG= -0.058447 TDE= -0.342688 logGD-logG0= -0.010290 tlogG= -0.047694 logG= -0.057984 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428241 ETOT(band)= -0.468181 trlgG= -0.587451 logG= -0.057984 TDE= -0.341925 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010790 tlogG= -0.047723 logG= -0.058513 Density= 0.431042 ETOT(band)= -0.467512 trlgG= -0.588977 logG= -0.058513 TDE= -0.342795 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.048097 logG= -0.058620 Density= 0.430093 ETOT(band)= -0.468146 trlgG= -0.589333 logG= -0.058620 TDE= -0.342672 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009641 tlogG= -0.047792 logG= -0.057434 logGD-logG0= -0.009688 tlogG= -0.047673 logG= -0.057361 Density= 0.426620 ETOT(band)= -0.468411 trlgG= -0.587254 logG= -0.057361 TDE= -0.341815 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427124 ETOT(band)= -0.467960 trlgG= -0.586105 logG= -0.057434 TDE= -0.341517 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010032 tlogG= -0.047586 logG= -0.057618 Density= 0.428556 ETOT(band)= -0.467526 trlgG= -0.586491 logG= -0.057618 TDE= -0.341969 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010714 tlogG= -0.048049 logG= -0.058763 Density= 0.431282 ETOT(band)= -0.467795 trlgG= -0.589970 logG= -0.058763 TDE= -0.343060 logGD-logG0= -0.009967 tlogG= -0.046427 logG= -0.056394 Density= 0.429479 ETOT(band)= -0.465602 trlgG= -0.581793 logG= -0.056394 TDE= -0.341349 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010351 tlogG= -0.046957 logG= -0.057308 Density= 0.429828 ETOT(band)= -0.466518 trlgG= -0.584493 logG= -0.057308 TDE= -0.341639 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.022341 logG= -0.027193 Density= 0.322832 ETOT(band)= -0.348015 trlgG= -0.434218 logG= -0.027193 TDE= -0.170257 logGD-logG0= -0.010751 tlogG= -0.047294 logG= -0.058045 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430430 ETOT(band)= -0.467144 trlgG= -0.587146 logG= -0.058045 TDE= -0.342304 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047596 logG= -0.057872 Density= 0.429958 ETOT(band)= -0.467165 trlgG= -0.586423 logG= -0.057872 TDE= -0.342085 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.021894 logG= -0.026990 Density= 0.216599 ETOT(band)= -0.230310 trlgG= -0.286622 logG= -0.026990 TDE= -0.170236 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010004 tlogG= -0.044648 logG= -0.054652 Density= 0.324245 ETOT(band)= -0.346710 trlgG= -0.432162 logG= -0.054652 TDE= -0.340797 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005472 logG= -0.006700 Density= 0.081190 ETOT(band)= -0.086363 trlgG= -0.107421 logG= -0.006700 TDE= -0.042575 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004812 tlogG= -0.022340 logG= -0.027152 Density= 0.215002 ETOT(band)= -0.231975 trlgG= -0.289226 logG= -0.027152 TDE= -0.170263 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009851 tlogG= -0.044652 logG= -0.054503 Density= 0.431553 ETOT(band)= -0.462129 trlgG= -0.575011 logG= -0.054503 TDE= -0.340434 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.850874918665 eV TrLogG= -407.443270654570 eV Ratio to renormalize= 1.000151268372 rho-rho_expected=-0.003327400857 nargs= 1 argi=dmft2.def 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 75) Finished k-point number 151 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 75) Finished k-point number 152 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964679935856576 0.940439596680261 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001413 tlogG= -0.008048 logG= -0.009461 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048992 logG= -0.009461 TDE= -0.057003 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004345 tlogG= -0.024062 logG= -0.028407 logGD-logG0= -0.004372 tlogG= -0.023985 logG= -0.028357 Density= 0.106155 ETOT(band)= -0.117127 trlgG= -0.146735 logG= -0.028357 TDE= -0.170908 Density= 0.106103 ETOT(band)= -0.117171 trlgG= -0.146848 logG= -0.028407 TDE= -0.170946 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.022420 logG= -0.027455 Density= 0.107620 ETOT(band)= -0.115970 trlgG= -0.144503 logG= -0.027455 TDE= -0.170304 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004732 tlogG= -0.023000 logG= -0.027733 Density= 0.106858 ETOT(band)= -0.116496 trlgG= -0.145265 logG= -0.027733 TDE= -0.170411 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002337 tlogG= -0.011890 logG= -0.014226 Density= 0.053554 ETOT(band)= -0.058405 trlgG= -0.073295 logG= -0.014226 TDE= -0.085570 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005855 logG= -0.001050 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002344 tlogG= -0.011454 logG= -0.013798 Density= 0.053729 ETOT(band)= -0.058074 trlgG= -0.072531 logG= -0.013798 TDE= -0.085321 logGD-logG0= -0.001698 tlogG= -0.007308 logG= -0.009006 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035839 ETOT(band)= -0.038578 trlgG= -0.047930 logG= -0.009006 TDE= -0.056659 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001494 tlogG= -0.007815 logG= -0.009308 Density= 0.035488 ETOT(band)= -0.038927 trlgG= -0.048627 logG= -0.009308 TDE= -0.056880 logGD-logG0= -0.002614 tlogG= -0.012038 logG= -0.014652 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053756 ETOT(band)= -0.058537 trlgG= -0.073714 logG= -0.014652 TDE= -0.085663 logGD-logG0= -0.002432 tlogG= -0.012088 logG= -0.014520 Density= 0.053577 ETOT(band)= -0.058548 trlgG= -0.073657 logG= -0.014520 TDE= -0.085650 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002413 tlogG= -0.010433 logG= -0.012846 Density= 0.054370 ETOT(band)= -0.057077 trlgG= -0.070725 logG= -0.012846 TDE= -0.084785 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002569 tlogG= -0.011991 logG= -0.014560 logGD-logG0= -0.005057 tlogG= -0.022471 logG= -0.027528 Density= 0.054131 ETOT(band)= -0.058299 trlgG= -0.073578 logG= -0.014560 TDE= -0.085804 Density= 0.108188 ETOT(band)= -0.115744 trlgG= -0.144624 logG= -0.027528 TDE= -0.170633 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022183 logG= -0.027158 Density= 0.108344 ETOT(band)= -0.115438 trlgG= -0.144016 logG= -0.027158 TDE= -0.170472 logGD-logG0= -0.005303 tlogG= -0.024083 logG= -0.029386 Density= 0.107629 ETOT(band)= -0.117076 trlgG= -0.147575 logG= -0.029386 TDE= -0.171449 logGD-logG0= -0.005172 tlogG= -0.023777 logG= -0.028949 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108164 ETOT(band)= -0.116549 trlgG= -0.146881 logG= -0.028949 TDE= -0.171457 logGD-logG0= -0.005167 tlogG= -0.023444 logG= -0.028611 logGD-logG0= -0.004569 tlogG= -0.024056 logG= -0.028625 logGD-logG0= -0.005159 tlogG= -0.023964 logG= -0.029123 Density= 0.108116 ETOT(band)= -0.116387 trlgG= -0.146346 logG= -0.028611 TDE= -0.171236 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106374 ETOT(band)= -0.117159 trlgG= -0.146857 logG= -0.028625 TDE= -0.170871 Density= 0.108215 ETOT(band)= -0.116623 trlgG= -0.147160 logG= -0.029123 TDE= -0.171587 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.022996 logG= -0.028122 Density= 0.108120 ETOT(band)= -0.116117 trlgG= -0.145571 logG= -0.028122 TDE= -0.170953 logGD-logG0= -0.002638 tlogG= -0.011995 logG= -0.014633 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004887 tlogG= -0.022862 logG= -0.027748 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023216 logG= -0.027862 Density= 0.106723 ETOT(band)= -0.116627 trlgG= -0.145527 logG= -0.027862 TDE= -0.170477 Density= 0.053976 ETOT(band)= -0.058420 trlgG= -0.073699 logG= -0.014633 TDE= -0.085775 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107733 ETOT(band)= -0.116099 trlgG= -0.144987 logG= -0.027748 TDE= -0.170551 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.023229 logG= -0.028348 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108180 ETOT(band)= -0.116210 trlgG= -0.145927 logG= -0.028348 TDE= -0.171112 logGD-logG0= -0.005310 tlogG= -0.023696 logG= -0.029006 logGD-logG0= -0.005148 tlogG= -0.023619 logG= -0.028768 Density= 0.108189 ETOT(band)= -0.116433 trlgG= -0.146590 logG= -0.028768 TDE= -0.171360 logGD-logG0= -0.005017 tlogG= -0.024105 logG= -0.029122 Density= 0.107218 ETOT(band)= -0.117009 trlgG= -0.146906 logG= -0.029006 TDE= -0.170957 logGD-logG0= -0.005253 tlogG= -0.023979 logG= -0.029232 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107366 ETOT(band)= -0.117040 trlgG= -0.147197 logG= -0.029122 TDE= -0.171205 logGD-logG0= -0.005146 tlogG= -0.023885 logG= -0.029031 Density= 0.108235 ETOT(band)= -0.116559 trlgG= -0.147011 logG= -0.029031 TDE= -0.171540 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107431 ETOT(band)= -0.117061 trlgG= -0.147301 logG= -0.029232 TDE= -0.171232 logGD-logG0= -0.005023 tlogG= -0.023653 logG= -0.028676 logGD-logG0= -0.005134 tlogG= -0.022887 logG= -0.028021 Density= 0.107602 ETOT(band)= -0.116304 trlgG= -0.145399 logG= -0.028021 TDE= -0.170625 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022747 logG= -0.027800 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108234 ETOT(band)= -0.115880 trlgG= -0.145060 logG= -0.027800 TDE= -0.170819 Density= 0.106965 ETOT(band)= -0.116937 trlgG= -0.146356 logG= -0.028676 TDE= -0.170611 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.023903 logG= -0.028831 Density= 0.106743 ETOT(band)= -0.117120 trlgG= -0.146968 logG= -0.028831 TDE= -0.170959 logGD-logG0= -0.004704 tlogG= -0.023679 logG= -0.028383 Density= 0.106584 ETOT(band)= -0.116965 trlgG= -0.146441 logG= -0.028383 TDE= -0.170801 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023699 logG= -0.028430 Density= 0.106962 ETOT(band)= -0.116849 trlgG= -0.146546 logG= -0.028430 TDE= -0.171046 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.024081 logG= -0.028985 Density= 0.107042 ETOT(band)= -0.117102 trlgG= -0.147223 logG= -0.028985 TDE= -0.171208 logGD-logG0= -0.004853 tlogG= -0.023700 logG= -0.028554 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.024072 logG= -0.029357 Density= 0.107364 ETOT(band)= -0.116730 trlgG= -0.146455 logG= -0.028554 TDE= -0.171031 Density= 0.107933 ETOT(band)= -0.116916 trlgG= -0.147550 logG= -0.029357 TDE= -0.171604 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.023884 logG= -0.029180 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004763 tlogG= -0.022864 logG= -0.027627 logGD-logG0= -0.005335 tlogG= -0.023914 logG= -0.029249 Density= 0.107738 ETOT(band)= -0.116942 trlgG= -0.147360 logG= -0.029249 TDE= -0.171425 Density= 0.107283 ETOT(band)= -0.116244 trlgG= -0.145113 logG= -0.027627 TDE= -0.170575 Density= 0.107902 ETOT(band)= -0.116810 trlgG= -0.147253 logG= -0.029180 TDE= -0.171469 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.023511 logG= -0.028269 Density= 0.106760 ETOT(band)= -0.116819 trlgG= -0.146011 logG= -0.028269 TDE= -0.170572 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009830 tlogG= -0.048269 logG= -0.058099 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214375 ETOT(band)= -0.234162 trlgG= -0.294520 logG= -0.058099 TDE= -0.342505 logGD-logG0= -0.005333 tlogG= -0.023594 logG= -0.028927 Density= 0.107786 ETOT(band)= -0.116713 trlgG= -0.146838 logG= -0.028927 TDE= -0.171249 logGD-logG0= -0.009516 tlogG= -0.045785 logG= -0.055301 Density= 0.214990 ETOT(band)= -0.232321 trlgG= -0.290128 logG= -0.055301 TDE= -0.341215 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009695 tlogG= -0.047185 logG= -0.056880 logGD-logG0= -0.009156 tlogG= -0.047653 logG= -0.056809 Density= 0.213739 ETOT(band)= -0.233755 trlgG= -0.292945 logG= -0.056880 TDE= -0.341834 Density= 0.212898 ETOT(band)= -0.234054 trlgG= -0.293015 logG= -0.056809 TDE= -0.341559 logGD-logG0= -0.001631 tlogG= -0.006996 logG= -0.008627 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009976 tlogG= -0.047925 logG= -0.057901 logGD-logG0= -0.010552 tlogG= -0.047772 logG= -0.058324 Density= 0.214732 ETOT(band)= -0.234086 trlgG= -0.294356 logG= -0.058324 TDE= -0.342292 logGD-logG0= -0.009795 tlogG= -0.045616 logG= -0.055411 logGD-logG0= -0.005325 tlogG= -0.023208 logG= -0.028533 Density= 0.213942 ETOT(band)= -0.234200 trlgG= -0.294209 logG= -0.057901 TDE= -0.342177 Density= 0.214336 ETOT(band)= -0.232671 trlgG= -0.290306 logG= -0.055411 TDE= -0.340960 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009860 tlogG= -0.047176 logG= -0.057036 Density= 0.107669 ETOT(band)= -0.116552 trlgG= -0.146209 logG= -0.028533 TDE= -0.170956 logGD-logG0= -0.009469 tlogG= -0.047473 logG= -0.056941 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213751 ETOT(band)= -0.233799 trlgG= -0.292736 logG= -0.057036 TDE= -0.341475 Density= 0.214284 ETOT(band)= -0.233586 trlgG= -0.293075 logG= -0.056941 TDE= -0.342173 logGD-logG0= -0.009586 tlogG= -0.047952 logG= -0.057539 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010508 tlogG= -0.048106 logG= -0.058614 Density= 0.213246 ETOT(band)= -0.234263 trlgG= -0.293660 logG= -0.057539 TDE= -0.341647 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215045 ETOT(band)= -0.234139 trlgG= -0.294867 logG= -0.058614 TDE= -0.342668 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009901 tlogG= -0.045674 logG= -0.055575 logGD-logG0= -0.010356 tlogG= -0.048004 logG= -0.058361 Density= 0.215122 ETOT(band)= -0.232397 trlgG= -0.290120 logG= -0.055575 TDE= -0.340998 Density= 0.215047 ETOT(band)= -0.233995 trlgG= -0.294450 logG= -0.058361 TDE= -0.342506 Density= 0.036191 ETOT(band)= -0.038129 trlgG= -0.047269 logG= -0.008627 TDE= -0.056551 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010217 tlogG= -0.047684 logG= -0.057901 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010589 tlogG= -0.048040 logG= -0.058629 Density= 0.215082 ETOT(band)= -0.234131 trlgG= -0.294894 logG= -0.058629 TDE= -0.342698 Density= 0.213923 ETOT(band)= -0.234187 trlgG= -0.293961 logG= -0.057901 TDE= -0.341919 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010446 tlogG= -0.047332 logG= -0.057777 logGD-logG0= -0.010417 tlogG= -0.047812 logG= -0.058228 Density= 0.214630 ETOT(band)= -0.234079 trlgG= -0.294187 logG= -0.058228 TDE= -0.342168 logGD-logG0= -0.002474 tlogG= -0.010847 logG= -0.013321 logGD-logG0= -0.010100 tlogG= -0.048054 logG= -0.058154 Density= 0.214236 ETOT(band)= -0.233979 trlgG= -0.293437 logG= -0.057777 TDE= -0.341675 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010567 tlogG= -0.047970 logG= -0.058537 Density= 0.215870 ETOT(band)= -0.233703 trlgG= -0.294800 logG= -0.058537 TDE= -0.343087 Density= 0.054056 ETOT(band)= -0.057594 trlgG= -0.071572 logG= -0.013321 TDE= -0.085001 Density= 0.214505 ETOT(band)= -0.234109 trlgG= -0.294269 logG= -0.058154 TDE= -0.342264 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010612 tlogG= -0.047446 logG= -0.058058 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010641 tlogG= -0.047557 logG= -0.058198 Density= 0.215675 ETOT(band)= -0.233586 trlgG= -0.294238 logG= -0.058198 TDE= -0.342766 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215442 ETOT(band)= -0.233627 trlgG= -0.293998 logG= -0.058058 TDE= -0.342552 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010654 tlogG= -0.046904 logG= -0.057557 Density= 0.215404 ETOT(band)= -0.233350 trlgG= -0.293197 logG= -0.057557 TDE= -0.342232 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010214 tlogG= -0.046437 logG= -0.056651 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215189 ETOT(band)= -0.232959 trlgG= -0.291754 logG= -0.056651 TDE= -0.341589 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047919 logG= -0.058540 Density= 0.215742 ETOT(band)= -0.233775 trlgG= -0.294803 logG= -0.058540 TDE= -0.343022 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009824 tlogG= -0.047249 logG= -0.057073 Density= 0.214450 ETOT(band)= -0.233547 trlgG= -0.292848 logG= -0.057073 TDE= -0.341896 logGD-logG0= -0.010126 tlogG= -0.047177 logG= -0.057303 Density= 0.215125 ETOT(band)= -0.233361 trlgG= -0.292771 logG= -0.057303 TDE= -0.341923 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.021888 logG= -0.026898 Density= 0.108309 ETOT(band)= -0.115253 trlgG= -0.143567 logG= -0.026898 TDE= -0.170265 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004924 tlogG= -0.021578 logG= -0.026501 Density= 0.108499 ETOT(band)= -0.114887 trlgG= -0.142887 logG= -0.026501 TDE= -0.170076 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004843 tlogG= -0.021003 logG= -0.025845 Density= 0.108695 ETOT(band)= -0.114300 trlgG= -0.141730 logG= -0.025845 TDE= -0.169672 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.021830 logG= -0.026921 Density= 0.107775 ETOT(band)= -0.115542 trlgG= -0.143628 logG= -0.026921 TDE= -0.170039 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021707 logG= -0.026738 Density= 0.107917 ETOT(band)= -0.115349 trlgG= -0.143318 logG= -0.026738 TDE= -0.169983 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010057 tlogG= -0.043414 logG= -0.053471 Density= 0.216249 ETOT(band)= -0.230489 trlgG= -0.286613 logG= -0.053471 TDE= -0.340152 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005310 tlogG= -0.024101 logG= -0.029411 Density= 0.107874 ETOT(band)= -0.116983 trlgG= -0.147639 logG= -0.029411 TDE= -0.171609 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004319 tlogG= -0.024142 logG= -0.028461 Density= 0.212144 ETOT(band)= -0.234392 trlgG= -0.293819 logG= -0.028461 TDE= -0.170985 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005751 logG= -0.007014 Density= 0.080626 ETOT(band)= -0.087404 trlgG= -0.109661 logG= -0.007014 TDE= -0.042748 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001191 tlogG= -0.005175 logG= -0.006366 logGD-logG0= -0.004507 tlogG= -0.023597 logG= -0.028105 Density= 0.212592 ETOT(band)= -0.234011 trlgG= -0.292871 logG= -0.028105 TDE= -0.170702 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062532 ETOT(band)= -0.067550 trlgG= -0.084247 logG= -0.006366 TDE= -0.042361 logGD-logG0= -0.001242 tlogG= -0.005623 logG= -0.006865 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080827 ETOT(band)= -0.086975 trlgG= -0.108658 logG= -0.006865 TDE= -0.042672 logGD-logG0= -0.005343 tlogG= -0.024147 logG= -0.029490 Density= 0.107797 ETOT(band)= -0.117071 trlgG= -0.147764 logG= -0.029490 TDE= -0.171618 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.048170 logG= -0.058873 Density= 0.215398 ETOT(band)= -0.234157 trlgG= -0.295331 logG= -0.058873 TDE= -0.343048 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.022916 logG= -0.027903 Density= 0.214770 ETOT(band)= -0.232419 trlgG= -0.289821 logG= -0.027903 TDE= -0.170439 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007592 logG= -0.009170 Density= 0.071488 ETOT(band)= -0.077354 trlgG= -0.096199 logG= -0.009170 TDE= -0.056740 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.023969 logG= -0.029065 Density= 0.214314 ETOT(band)= -0.234113 trlgG= -0.294045 logG= -0.029065 TDE= -0.171070 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004596 tlogG= -0.023983 logG= -0.028580 Density= 0.212781 ETOT(band)= -0.234289 trlgG= -0.293619 logG= -0.028580 TDE= -0.170838 logGD-logG0= -0.005224 tlogG= -0.023429 logG= -0.028653 Density= 0.216171 ETOT(band)= -0.232676 trlgG= -0.292336 logG= -0.028653 TDE= -0.171196 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.023257 logG= -0.028057 logGD-logG0= -0.004757 tlogG= -0.024019 logG= -0.028776 Density= 0.214094 ETOT(band)= -0.234104 trlgG= -0.294262 logG= -0.028776 TDE= -0.171237 Density= 0.213472 ETOT(band)= -0.233633 trlgG= -0.292356 logG= -0.028057 TDE= -0.170752 logGD-logG0= -0.005189 tlogG= -0.023205 logG= -0.028394 Density= 0.214841 ETOT(band)= -0.232973 trlgG= -0.291352 logG= -0.028394 TDE= -0.170626 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.022452 logG= -0.027588 Density= 0.216341 ETOT(band)= -0.231305 trlgG= -0.288736 logG= -0.027588 TDE= -0.170574 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005310 logG= -0.006520 Density= 0.081547 ETOT(band)= -0.085695 trlgG= -0.106260 logG= -0.006520 TDE= -0.042463 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001282 tlogG= -0.005942 logG= -0.007224 Density= 0.080822 ETOT(band)= -0.087654 trlgG= -0.110413 logG= -0.007224 TDE= -0.042868 logGD-logG0= -0.001277 tlogG= -0.005859 logG= -0.007136 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080638 ETOT(band)= -0.087619 trlgG= -0.110216 logG= -0.007136 TDE= -0.042814 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.022982 logG= -0.028178 Density= 0.216197 ETOT(band)= -0.232103 trlgG= -0.290721 logG= -0.028178 TDE= -0.170908 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.023893 logG= -0.028829 Density= 0.213762 ETOT(band)= -0.234027 trlgG= -0.293137 logG= -0.028829 TDE= -0.170800 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.023849 logG= -0.028701 Density= 0.213546 ETOT(band)= -0.234166 trlgG= -0.293874 logG= -0.028701 TDE= -0.171056 logGD-logG0= -0.005241 tlogG= -0.024015 logG= -0.029256 Density= 0.215660 ETOT(band)= -0.233876 trlgG= -0.294957 logG= -0.029256 TDE= -0.171585 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001439 tlogG= -0.007969 logG= -0.009408 logGD-logG0= -0.004965 tlogG= -0.022305 logG= -0.027270 Density= 0.214234 ETOT(band)= -0.232459 trlgG= -0.289574 logG= -0.027270 TDE= -0.170174 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.070858 ETOT(band)= -0.077956 trlgG= -0.097497 logG= -0.009408 TDE= -0.056964 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007267 Density= 0.081051 ETOT(band)= -0.087557 trlgG= -0.110466 logG= -0.007267 TDE= -0.042898 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004669 tlogG= -0.023383 logG= -0.028052 Density= 0.214156 ETOT(band)= -0.233392 trlgG= -0.292469 logG= -0.028052 TDE= -0.170916 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.024013 logG= -0.029218 Density= 0.216329 ETOT(band)= -0.233358 trlgG= -0.294480 logG= -0.029218 TDE= -0.171603 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023813 logG= -0.029088 Density= 0.215308 ETOT(band)= -0.233781 trlgG= -0.294302 logG= -0.029088 TDE= -0.171433 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.024018 logG= -0.028808 Density= 0.321526 ETOT(band)= -0.351136 trlgG= -0.441537 logG= -0.028808 TDE= -0.171233 logGD-logG0= -0.005270 tlogG= -0.023494 logG= -0.028765 Density= 0.215188 ETOT(band)= -0.233346 trlgG= -0.293039 logG= -0.028765 TDE= -0.171176 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023857 logG= -0.028950 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215470 ETOT(band)= -0.233777 trlgG= -0.294406 logG= -0.028950 TDE= -0.171121 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.024174 logG= -0.029236 Density= 0.322402 ETOT(band)= -0.351249 trlgG= -0.442216 logG= -0.029236 TDE= -0.171238 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005454 tlogG= -0.023366 logG= -0.028820 Density= 0.215081 ETOT(band)= -0.233372 trlgG= -0.292847 logG= -0.028820 TDE= -0.170970 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004452 tlogG= -0.023751 logG= -0.028203 Density= 0.213060 ETOT(band)= -0.233604 trlgG= -0.291896 logG= -0.028203 TDE= -0.170787 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010213 tlogG= -0.045654 logG= -0.055867 Density= 0.324003 ETOT(band)= -0.347975 trlgG= -0.435166 logG= -0.055867 TDE= -0.341471 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023776 logG= -0.028993 logGD-logG0= -0.010438 tlogG= -0.047814 logG= -0.058252 Density= 0.216252 ETOT(band)= -0.233056 trlgG= -0.293543 logG= -0.028993 TDE= -0.171435 logGD-logG0= -0.005036 tlogG= -0.024169 logG= -0.029205 Density= 0.214715 ETOT(band)= -0.234186 trlgG= -0.294660 logG= -0.029205 TDE= -0.171243 Density= 0.324311 ETOT(band)= -0.349942 trlgG= -0.441218 logG= -0.058252 TDE= -0.343045 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023970 logG= -0.029168 Density= 0.216362 ETOT(band)= -0.233254 trlgG= -0.294247 logG= -0.029168 TDE= -0.171576 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023380 logG= -0.028081 Density= 0.321595 ETOT(band)= -0.350088 trlgG= -0.438961 logG= -0.028081 TDE= -0.170907 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.023256 logG= -0.028304 Density= 0.321663 ETOT(band)= -0.350594 trlgG= -0.439812 logG= -0.028304 TDE= -0.170862 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005471 logG= -0.006700 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008466 Density= 0.040842 ETOT(band)= -0.042677 trlgG= -0.052823 logG= -0.008466 TDE= -0.056465 Density= 0.081189 ETOT(band)= -0.086362 trlgG= -0.107419 logG= -0.006700 TDE= -0.042574 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010484 tlogG= -0.047263 logG= -0.057748 Density= 0.324093 ETOT(band)= -0.349575 trlgG= -0.439871 logG= -0.057748 TDE= -0.342653 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005382 tlogG= -0.023912 logG= -0.029294 logGD-logG0= -0.005367 tlogG= -0.023971 logG= -0.029338 Density= 0.215620 ETOT(band)= -0.233778 trlgG= -0.294684 logG= -0.029294 TDE= -0.171441 Density= 0.323622 ETOT(band)= -0.350686 trlgG= -0.442307 logG= -0.029338 TDE= -0.171490 logGD-logG0= -0.009718 tlogG= -0.046630 logG= -0.056348 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322665 ETOT(band)= -0.349042 trlgG= -0.436601 logG= -0.056348 TDE= -0.341624 logGD-logG0= -0.010482 tlogG= -0.046442 logG= -0.056925 Density= 0.323956 ETOT(band)= -0.348919 trlgG= -0.437785 logG= -0.056925 TDE= -0.342096 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004622 tlogG= -0.023901 logG= -0.028523 Density= 0.213255 ETOT(band)= -0.233879 trlgG= -0.292625 logG= -0.028523 TDE= -0.170790 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023698 logG= -0.029128 Density= 0.215382 ETOT(band)= -0.233630 trlgG= -0.293986 logG= -0.029128 TDE= -0.171264 logGD-logG0= -0.010725 tlogG= -0.048066 logG= -0.058791 Density= 0.323208 ETOT(band)= -0.351014 trlgG= -0.442564 logG= -0.058791 TDE= -0.343038 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008995 tlogG= -0.048117 logG= -0.057113 Density= 0.425480 ETOT(band)= -0.468378 trlgG= -0.586725 logG= -0.057113 TDE= -0.341793 logGD-logG0= -0.010179 tlogG= -0.048173 logG= -0.058352 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429249 ETOT(band)= -0.468304 trlgG= -0.588881 logG= -0.058352 TDE= -0.342327 logGD-logG0= -0.009675 tlogG= -0.047864 logG= -0.057540 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427984 ETOT(band)= -0.468193 trlgG= -0.588110 logG= -0.057540 TDE= -0.342280 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.021315 logG= -0.026239 logGD-logG0= -0.009537 tlogG= -0.046632 logG= -0.056170 Density= 0.162627 ETOT(band)= -0.173001 trlgG= -0.216016 logG= -0.026239 TDE= -0.169889 logGD-logG0= -0.010290 tlogG= -0.047692 logG= -0.057982 Density= 0.428239 ETOT(band)= -0.468175 trlgG= -0.587441 logG= -0.057982 TDE= -0.341921 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.428043 ETOT(band)= -0.466889 trlgG= -0.584716 logG= -0.056170 TDE= -0.341650 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009486 tlogG= -0.046735 logG= -0.056220 Density= 0.427839 ETOT(band)= -0.466166 trlgG= -0.582109 logG= -0.056220 TDE= -0.341234 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004812 tlogG= -0.022339 logG= -0.027151 Density= 0.215001 ETOT(band)= -0.231972 trlgG= -0.289222 logG= -0.027151 TDE= -0.170261 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010692 tlogG= -0.047753 logG= -0.058445 logGD-logG0= -0.010313 tlogG= -0.048246 logG= -0.058559 Density= 0.429985 ETOT(band)= -0.468309 trlgG= -0.589650 logG= -0.058559 TDE= -0.342542 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430699 ETOT(band)= -0.467563 trlgG= -0.588608 logG= -0.058445 TDE= -0.342684 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010790 tlogG= -0.047721 logG= -0.058511 logGD-logG0= -0.010348 tlogG= -0.047981 logG= -0.058329 logGD-logG0= -0.010523 tlogG= -0.048095 logG= -0.058618 Density= 0.430091 ETOT(band)= -0.468140 trlgG= -0.589322 logG= -0.058618 TDE= -0.342668 Density= 0.431040 ETOT(band)= -0.467506 trlgG= -0.588966 logG= -0.058511 TDE= -0.342791 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429152 ETOT(band)= -0.468266 trlgG= -0.588527 logG= -0.058329 TDE= -0.342167 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009641 tlogG= -0.047791 logG= -0.057432 Density= 0.427123 ETOT(band)= -0.467954 trlgG= -0.586095 logG= -0.057432 TDE= -0.341514 logGD-logG0= -0.009688 tlogG= -0.047671 logG= -0.057359 Density= 0.426618 ETOT(band)= -0.468405 trlgG= -0.587244 logG= -0.057359 TDE= -0.341812 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009967 tlogG= -0.046425 logG= -0.056392 Density= 0.429477 ETOT(band)= -0.465596 trlgG= -0.581784 logG= -0.056392 TDE= -0.341345 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009852 tlogG= -0.047878 logG= -0.057730 Density= 0.429083 ETOT(band)= -0.467969 trlgG= -0.588082 logG= -0.057730 TDE= -0.342267 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010715 tlogG= -0.048046 logG= -0.058761 Density= 0.431280 ETOT(band)= -0.467789 trlgG= -0.589960 logG= -0.058761 TDE= -0.343056 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.046955 logG= -0.057306 Density= 0.429827 ETOT(band)= -0.466512 trlgG= -0.584483 logG= -0.057306 TDE= -0.341636 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010032 tlogG= -0.047584 logG= -0.057616 Density= 0.428554 ETOT(band)= -0.467520 trlgG= -0.586481 logG= -0.057616 TDE= -0.341966 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010751 tlogG= -0.047292 logG= -0.058043 Density= 0.430429 ETOT(band)= -0.467138 trlgG= -0.587135 logG= -0.058043 TDE= -0.342300 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047594 logG= -0.057870 Density= 0.429957 ETOT(band)= -0.467159 trlgG= -0.586413 logG= -0.057870 TDE= -0.342081 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004853 tlogG= -0.022340 logG= -0.027192 Density= 0.322831 ETOT(band)= -0.348011 trlgG= -0.434211 logG= -0.027192 TDE= -0.170255 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010004 tlogG= -0.044647 logG= -0.054650 Density= 0.324244 ETOT(band)= -0.346705 trlgG= -0.432155 logG= -0.054650 TDE= -0.340793 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004935 tlogG= -0.022484 logG= -0.027420 Density= 0.214996 ETOT(band)= -0.231683 trlgG= -0.288177 logG= -0.027420 TDE= -0.170188 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007121 logG= -0.008820 Density= 0.072220 ETOT(band)= -0.076486 trlgG= -0.094885 logG= -0.008820 TDE= -0.056626 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005097 tlogG= -0.021893 logG= -0.026990 Density= 0.216598 ETOT(band)= -0.230307 trlgG= -0.286618 logG= -0.026990 TDE= -0.170234 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005007 tlogG= -0.021365 logG= -0.026372 Density= 0.216991 ETOT(band)= -0.229199 trlgG= -0.284413 logG= -0.026372 TDE= -0.169902 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004966 tlogG= -0.021220 logG= -0.026185 Density= 0.216318 ETOT(band)= -0.230059 trlgG= -0.285670 logG= -0.026185 TDE= -0.169808 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009851 tlogG= -0.044650 logG= -0.054501 Density= 0.431552 ETOT(band)= -0.462122 trlgG= -0.575001 logG= -0.054501 TDE= -0.340430 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005334 tlogG= -0.024136 logG= -0.029470 Density= 0.215693 ETOT(band)= -0.234032 trlgG= -0.295373 logG= -0.029470 TDE= -0.171618 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.024096 logG= -0.029363 Density= 0.323023 ETOT(band)= -0.351222 trlgG= -0.442867 logG= -0.029363 TDE= -0.171431 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.846577885928 eV TrLogG= -407.435796765770 eV Ratio to renormalize= 1.000154524431 rho-rho_expected=-0.003399012244 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964676594751373 0.940434811996499 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001413 tlogG= -0.008048 logG= -0.009461 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048992 logG= -0.009461 TDE= -0.057003 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004345 tlogG= -0.024063 logG= -0.028407 Density= 0.106103 ETOT(band)= -0.117171 trlgG= -0.146849 logG= -0.028407 TDE= -0.170946 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023217 logG= -0.027862 Density= 0.106722 ETOT(band)= -0.116628 trlgG= -0.145528 logG= -0.027862 TDE= -0.170477 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.022421 logG= -0.027456 Density= 0.107620 ETOT(band)= -0.115971 trlgG= -0.144504 logG= -0.027456 TDE= -0.170304 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.023511 logG= -0.028269 Density= 0.106760 ETOT(band)= -0.116819 trlgG= -0.146012 logG= -0.028269 TDE= -0.170573 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001631 tlogG= -0.006996 logG= -0.008627 Density= 0.036191 ETOT(band)= -0.038130 trlgG= -0.047269 logG= -0.008627 TDE= -0.056551 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001698 tlogG= -0.007308 logG= -0.009006 Density= 0.035839 ETOT(band)= -0.038578 trlgG= -0.047930 logG= -0.009006 TDE= -0.056659 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005091 tlogG= -0.021831 logG= -0.026921 Density= 0.107775 ETOT(band)= -0.115542 trlgG= -0.143629 logG= -0.026921 TDE= -0.170040 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002337 tlogG= -0.011890 logG= -0.014226 Density= 0.053554 ETOT(band)= -0.058405 trlgG= -0.073296 logG= -0.014226 TDE= -0.085571 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 logGD-logG0= -0.002344 tlogG= -0.011454 logG= -0.013798 Density= 0.053729 ETOT(band)= -0.058074 trlgG= -0.072531 logG= -0.013798 TDE= -0.085321 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005855 logG= -0.001050 TDE= -0.007053 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002614 tlogG= -0.012038 logG= -0.014652 Density= 0.053756 ETOT(band)= -0.058537 trlgG= -0.073715 logG= -0.014652 TDE= -0.085664 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002432 tlogG= -0.012088 logG= -0.014520 Density= 0.053577 ETOT(band)= -0.058549 trlgG= -0.073658 logG= -0.014520 TDE= -0.085650 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022184 logG= -0.027158 Density= 0.108344 ETOT(band)= -0.115438 trlgG= -0.144017 logG= -0.027158 TDE= -0.170473 logGD-logG0= -0.001494 tlogG= -0.007815 logG= -0.009309 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035488 ETOT(band)= -0.038927 trlgG= -0.048627 logG= -0.009309 TDE= -0.056880 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004569 tlogG= -0.024057 logG= -0.028626 Density= 0.106374 ETOT(band)= -0.117160 trlgG= -0.146857 logG= -0.028626 TDE= -0.170871 logGD-logG0= -0.005023 tlogG= -0.023654 logG= -0.028677 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106965 ETOT(band)= -0.116938 trlgG= -0.146357 logG= -0.028677 TDE= -0.170611 logGD-logG0= -0.005310 tlogG= -0.023696 logG= -0.029006 logGD-logG0= -0.004928 tlogG= -0.023904 logG= -0.028832 Density= 0.106743 ETOT(band)= -0.117121 trlgG= -0.146969 logG= -0.028832 TDE= -0.170959 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002569 tlogG= -0.011991 logG= -0.014560 Density= 0.107218 ETOT(band)= -0.117009 trlgG= -0.146907 logG= -0.029006 TDE= -0.170958 Density= 0.054131 ETOT(band)= -0.058300 trlgG= -0.073578 logG= -0.014560 TDE= -0.085804 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.022888 logG= -0.028022 Density= 0.107602 ETOT(band)= -0.116304 trlgG= -0.145400 logG= -0.028022 TDE= -0.170625 logGD-logG0= -0.005118 tlogG= -0.023230 logG= -0.028348 Density= 0.108180 ETOT(band)= -0.116210 trlgG= -0.145928 logG= -0.028348 TDE= -0.171113 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022748 logG= -0.027801 Density= 0.108234 ETOT(band)= -0.115881 trlgG= -0.145061 logG= -0.027801 TDE= -0.170820 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004704 tlogG= -0.023680 logG= -0.028383 Density= 0.106584 ETOT(band)= -0.116966 trlgG= -0.146442 logG= -0.028383 TDE= -0.170802 logGD-logG0= -0.005125 tlogG= -0.022997 logG= -0.028122 logGD-logG0= -0.005326 tlogG= -0.023208 logG= -0.028534 logGD-logG0= -0.005167 tlogG= -0.023445 logG= -0.028612 Density= 0.108116 ETOT(band)= -0.116387 trlgG= -0.146347 logG= -0.028612 TDE= -0.171236 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107669 ETOT(band)= -0.116552 trlgG= -0.146210 logG= -0.028534 TDE= -0.170956 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108120 ETOT(band)= -0.116117 trlgG= -0.145572 logG= -0.028122 TDE= -0.170954 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005057 tlogG= -0.022471 logG= -0.027529 logGD-logG0= -0.002638 tlogG= -0.011995 logG= -0.014633 logGD-logG0= -0.004904 tlogG= -0.024082 logG= -0.028986 Density= 0.053976 ETOT(band)= -0.058421 trlgG= -0.073699 logG= -0.014633 TDE= -0.085776 logGD-logG0= -0.004763 tlogG= -0.022865 logG= -0.027628 Density= 0.107283 ETOT(band)= -0.116244 trlgG= -0.145114 logG= -0.027628 TDE= -0.170575 Density= 0.108188 ETOT(band)= -0.115744 trlgG= -0.144625 logG= -0.027529 TDE= -0.170633 Density= 0.107042 ETOT(band)= -0.117102 trlgG= -0.147224 logG= -0.028986 TDE= -0.171208 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004372 tlogG= -0.023986 logG= -0.028357 logGD-logG0= -0.005172 tlogG= -0.023778 logG= -0.028950 Density= 0.106155 ETOT(band)= -0.117128 trlgG= -0.146735 logG= -0.028357 TDE= -0.170909 Density= 0.108164 ETOT(band)= -0.116549 trlgG= -0.146882 logG= -0.028950 TDE= -0.171457 logGD-logG0= -0.005310 tlogG= -0.024102 logG= -0.029411 Density= 0.107874 ETOT(band)= -0.116984 trlgG= -0.147640 logG= -0.029411 TDE= -0.171610 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005159 tlogG= -0.023964 logG= -0.029123 Density= 0.108215 ETOT(band)= -0.116624 trlgG= -0.147161 logG= -0.029123 TDE= -0.171588 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023699 logG= -0.028430 logGD-logG0= -0.005343 tlogG= -0.024148 logG= -0.029491 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005335 tlogG= -0.023914 logG= -0.029250 Density= 0.106961 ETOT(band)= -0.116849 trlgG= -0.146547 logG= -0.028430 TDE= -0.171047 Density= 0.107738 ETOT(band)= -0.116942 trlgG= -0.147361 logG= -0.029250 TDE= -0.171425 Density= 0.107797 ETOT(band)= -0.117072 trlgG= -0.147765 logG= -0.029491 TDE= -0.171618 logGD-logG0= -0.005146 tlogG= -0.023886 logG= -0.029032 Density= 0.108235 ETOT(band)= -0.116559 trlgG= -0.147012 logG= -0.029032 TDE= -0.171540 logGD-logG0= -0.004853 tlogG= -0.023701 logG= -0.028554 logGD-logG0= -0.004887 tlogG= -0.022862 logG= -0.027749 Density= 0.107733 ETOT(band)= -0.116100 trlgG= -0.144988 logG= -0.027749 TDE= -0.170551 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107364 ETOT(band)= -0.116730 trlgG= -0.146456 logG= -0.028554 TDE= -0.171031 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023979 logG= -0.029232 Density= 0.107431 ETOT(band)= -0.117062 trlgG= -0.147302 logG= -0.029232 TDE= -0.171232 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.024083 logG= -0.029386 Density= 0.107629 ETOT(band)= -0.117076 trlgG= -0.147576 logG= -0.029386 TDE= -0.171450 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023619 logG= -0.028768 Density= 0.108189 ETOT(band)= -0.116434 trlgG= -0.146591 logG= -0.028768 TDE= -0.171360 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005017 tlogG= -0.024105 logG= -0.029122 Density= 0.107366 ETOT(band)= -0.117041 trlgG= -0.147198 logG= -0.029122 TDE= -0.171205 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.023885 logG= -0.029180 Density= 0.107902 ETOT(band)= -0.116810 trlgG= -0.147254 logG= -0.029180 TDE= -0.171469 logGD-logG0= -0.002474 tlogG= -0.010847 logG= -0.013321 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004732 tlogG= -0.023001 logG= -0.027733 Density= 0.106858 ETOT(band)= -0.116497 trlgG= -0.145266 logG= -0.027733 TDE= -0.170411 Density= 0.054056 ETOT(band)= -0.057594 trlgG= -0.071572 logG= -0.013321 TDE= -0.085001 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009830 tlogG= -0.048270 logG= -0.058100 Density= 0.214375 ETOT(band)= -0.234163 trlgG= -0.294522 logG= -0.058100 TDE= -0.342506 logGD-logG0= -0.005333 tlogG= -0.023594 logG= -0.028927 Density= 0.107786 ETOT(band)= -0.116714 trlgG= -0.146839 logG= -0.028927 TDE= -0.171250 logGD-logG0= -0.009516 tlogG= -0.045786 logG= -0.055302 Density= 0.214990 ETOT(band)= -0.232322 trlgG= -0.290130 logG= -0.055302 TDE= -0.341216 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009795 tlogG= -0.045616 logG= -0.055412 Density= 0.214336 ETOT(band)= -0.232671 trlgG= -0.290308 logG= -0.055412 TDE= -0.340960 logGD-logG0= -0.009696 tlogG= -0.047186 logG= -0.056881 logGD-logG0= -0.009156 tlogG= -0.047654 logG= -0.056810 Density= 0.213739 ETOT(band)= -0.233756 trlgG= -0.292947 logG= -0.056881 TDE= -0.341835 Density= 0.212898 ETOT(band)= -0.234055 trlgG= -0.293017 logG= -0.056810 TDE= -0.341559 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009976 tlogG= -0.047926 logG= -0.057902 Density= 0.213942 ETOT(band)= -0.234201 trlgG= -0.294210 logG= -0.057902 TDE= -0.342178 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009860 tlogG= -0.047177 logG= -0.057037 logGD-logG0= -0.010508 tlogG= -0.048107 logG= -0.058615 Density= 0.213751 ETOT(band)= -0.233800 trlgG= -0.292738 logG= -0.057037 TDE= -0.341476 logGD-logG0= -0.005285 tlogG= -0.024073 logG= -0.029358 Density= 0.215045 ETOT(band)= -0.234140 trlgG= -0.294869 logG= -0.058615 TDE= -0.342669 Density= 0.107933 ETOT(band)= -0.116916 trlgG= -0.147551 logG= -0.029358 TDE= -0.171604 logGD-logG0= -0.010100 tlogG= -0.048055 logG= -0.058155 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.047773 logG= -0.058325 logGD-logG0= -0.010589 tlogG= -0.048041 logG= -0.058630 Density= 0.215082 ETOT(band)= -0.234132 trlgG= -0.294896 logG= -0.058630 TDE= -0.342699 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009469 tlogG= -0.047473 logG= -0.056942 Density= 0.214505 ETOT(band)= -0.234110 trlgG= -0.294271 logG= -0.058155 TDE= -0.342264 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214284 ETOT(band)= -0.233587 trlgG= -0.293077 logG= -0.056942 TDE= -0.342173 Density= 0.214731 ETOT(band)= -0.234086 trlgG= -0.294358 logG= -0.058325 TDE= -0.342292 logGD-logG0= -0.009586 tlogG= -0.047953 logG= -0.057540 Density= 0.213246 ETOT(band)= -0.234264 trlgG= -0.293662 logG= -0.057540 TDE= -0.341647 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010356 tlogG= -0.048005 logG= -0.058362 Density= 0.215047 ETOT(band)= -0.233996 trlgG= -0.294452 logG= -0.058362 TDE= -0.342507 logGD-logG0= -0.010417 tlogG= -0.047813 logG= -0.058229 Density= 0.214630 ETOT(band)= -0.234080 trlgG= -0.294189 logG= -0.058229 TDE= -0.342169 logGD-logG0= -0.009901 tlogG= -0.045675 logG= -0.055576 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010218 tlogG= -0.047685 logG= -0.057902 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213923 ETOT(band)= -0.234187 trlgG= -0.293963 logG= -0.057902 TDE= -0.341920 Density= 0.215122 ETOT(band)= -0.232397 trlgG= -0.290122 logG= -0.055576 TDE= -0.340999 logGD-logG0= -0.002413 tlogG= -0.010433 logG= -0.012846 Density= 0.054370 ETOT(band)= -0.057077 trlgG= -0.070726 logG= -0.012846 TDE= -0.084785 logGD-logG0= -0.010446 tlogG= -0.047333 logG= -0.057778 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214236 ETOT(band)= -0.233980 trlgG= -0.293439 logG= -0.057778 TDE= -0.341675 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010642 tlogG= -0.047558 logG= -0.058200 Density= 0.215674 ETOT(band)= -0.233587 trlgG= -0.294240 logG= -0.058200 TDE= -0.342767 logGD-logG0= -0.010612 tlogG= -0.047447 logG= -0.058059 Density= 0.215442 ETOT(band)= -0.233628 trlgG= -0.294000 logG= -0.058059 TDE= -0.342552 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.048171 logG= -0.058874 Density= 0.215397 ETOT(band)= -0.234158 trlgG= -0.295333 logG= -0.058874 TDE= -0.343049 logGD-logG0= -0.010567 tlogG= -0.047971 logG= -0.058538 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215870 ETOT(band)= -0.233704 trlgG= -0.294802 logG= -0.058538 TDE= -0.343088 logGD-logG0= -0.010126 tlogG= -0.047178 logG= -0.057304 logGD-logG0= -0.010654 tlogG= -0.046905 logG= -0.057558 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009824 tlogG= -0.047250 logG= -0.057074 Density= 0.215125 ETOT(band)= -0.233362 trlgG= -0.292773 logG= -0.057304 TDE= -0.341924 Density= 0.215404 ETOT(band)= -0.233351 trlgG= -0.293199 logG= -0.057558 TDE= -0.342233 Density= 0.214450 ETOT(band)= -0.233548 trlgG= -0.292850 logG= -0.057074 TDE= -0.341896 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010215 tlogG= -0.046438 logG= -0.056652 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215189 ETOT(band)= -0.232960 trlgG= -0.291756 logG= -0.056652 TDE= -0.341590 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047919 logG= -0.058541 Density= 0.215742 ETOT(band)= -0.233776 trlgG= -0.294805 logG= -0.058541 TDE= -0.343023 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005010 tlogG= -0.021889 logG= -0.026899 Density= 0.108309 ETOT(band)= -0.115254 trlgG= -0.143568 logG= -0.026899 TDE= -0.170266 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004924 tlogG= -0.021578 logG= -0.026502 Density= 0.108499 ETOT(band)= -0.114887 trlgG= -0.142888 logG= -0.026502 TDE= -0.170077 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004843 tlogG= -0.021003 logG= -0.025846 Density= 0.108695 ETOT(band)= -0.114300 trlgG= -0.141731 logG= -0.025846 TDE= -0.169673 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021707 logG= -0.026739 Density= 0.107917 ETOT(band)= -0.115350 trlgG= -0.143319 logG= -0.026739 TDE= -0.169983 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010057 tlogG= -0.043415 logG= -0.053472 Density= 0.216249 ETOT(band)= -0.230490 trlgG= -0.286614 logG= -0.053472 TDE= -0.340153 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004319 tlogG= -0.024143 logG= -0.028461 Density= 0.212144 ETOT(band)= -0.234393 trlgG= -0.293821 logG= -0.028461 TDE= -0.170985 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004452 tlogG= -0.023751 logG= -0.028203 Density= 0.213060 ETOT(band)= -0.233604 trlgG= -0.291897 logG= -0.028203 TDE= -0.170787 logGD-logG0= -0.001191 tlogG= -0.005175 logG= -0.006366 Density= 0.062532 ETOT(band)= -0.067551 trlgG= -0.084247 logG= -0.006366 TDE= -0.042361 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.022916 logG= -0.027903 Density= 0.214770 ETOT(band)= -0.232420 trlgG= -0.289823 logG= -0.027903 TDE= -0.170439 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004622 tlogG= -0.023901 logG= -0.028523 Density= 0.213255 ETOT(band)= -0.233880 trlgG= -0.292627 logG= -0.028523 TDE= -0.170790 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007592 logG= -0.009170 Density= 0.071488 ETOT(band)= -0.077354 trlgG= -0.096199 logG= -0.009170 TDE= -0.056740 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007122 logG= -0.008820 Density= 0.072220 ETOT(band)= -0.076487 trlgG= -0.094886 logG= -0.008820 TDE= -0.056626 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004936 tlogG= -0.022485 logG= -0.027420 Density= 0.214996 ETOT(band)= -0.231683 trlgG= -0.288178 logG= -0.027420 TDE= -0.170188 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005751 logG= -0.007014 Density= 0.080626 ETOT(band)= -0.087405 trlgG= -0.109662 logG= -0.007014 TDE= -0.042748 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001242 tlogG= -0.005623 logG= -0.006865 Density= 0.080827 ETOT(band)= -0.086976 trlgG= -0.108658 logG= -0.006865 TDE= -0.042672 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.022453 logG= -0.027589 Density= 0.216341 ETOT(band)= -0.231306 trlgG= -0.288738 logG= -0.027589 TDE= -0.170574 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.023893 logG= -0.028830 Density= 0.213762 ETOT(band)= -0.234028 trlgG= -0.293138 logG= -0.028830 TDE= -0.170801 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004852 tlogG= -0.023849 logG= -0.028701 Density= 0.213546 ETOT(band)= -0.234167 trlgG= -0.293875 logG= -0.028701 TDE= -0.171056 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005454 tlogG= -0.023367 logG= -0.028821 Density= 0.215081 ETOT(band)= -0.233373 trlgG= -0.292848 logG= -0.028821 TDE= -0.170971 logGD-logG0= -0.005189 tlogG= -0.023206 logG= -0.028395 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214841 ETOT(band)= -0.232974 trlgG= -0.291354 logG= -0.028395 TDE= -0.170627 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.023970 logG= -0.029065 Density= 0.214314 ETOT(band)= -0.234114 trlgG= -0.294046 logG= -0.029065 TDE= -0.171071 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004597 tlogG= -0.023984 logG= -0.028580 Density= 0.212781 ETOT(band)= -0.234290 trlgG= -0.293621 logG= -0.028580 TDE= -0.170839 logGD-logG0= -0.005196 tlogG= -0.022982 logG= -0.028179 Density= 0.216197 ETOT(band)= -0.232104 trlgG= -0.290723 logG= -0.028179 TDE= -0.170909 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023429 logG= -0.028653 Density= 0.216171 ETOT(band)= -0.232677 trlgG= -0.292338 logG= -0.028653 TDE= -0.171196 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004800 tlogG= -0.023257 logG= -0.028057 Density= 0.213472 ETOT(band)= -0.233634 trlgG= -0.292358 logG= -0.028057 TDE= -0.170752 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.024020 logG= -0.028777 Density= 0.214094 ETOT(band)= -0.234105 trlgG= -0.294264 logG= -0.028777 TDE= -0.171238 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005943 logG= -0.007224 Density= 0.080822 ETOT(band)= -0.087655 trlgG= -0.110414 logG= -0.007224 TDE= -0.042868 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005859 logG= -0.007136 Density= 0.080638 ETOT(band)= -0.087620 trlgG= -0.110216 logG= -0.007136 TDE= -0.042814 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005471 logG= -0.006700 Density= 0.081189 ETOT(band)= -0.086363 trlgG= -0.107420 logG= -0.006700 TDE= -0.042574 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004669 tlogG= -0.023384 logG= -0.028053 Density= 0.214156 ETOT(band)= -0.233392 trlgG= -0.292471 logG= -0.028053 TDE= -0.170916 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007267 Density= 0.081051 ETOT(band)= -0.087558 trlgG= -0.110467 logG= -0.007267 TDE= -0.042898 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004812 tlogG= -0.022340 logG= -0.027152 Density= 0.215001 ETOT(band)= -0.231973 trlgG= -0.289223 logG= -0.027152 TDE= -0.170261 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005241 tlogG= -0.024016 logG= -0.029256 Density= 0.215660 ETOT(band)= -0.233877 trlgG= -0.294959 logG= -0.029256 TDE= -0.171586 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001439 tlogG= -0.007969 logG= -0.009408 Density= 0.070858 ETOT(band)= -0.077956 trlgG= -0.097497 logG= -0.009408 TDE= -0.056965 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023814 logG= -0.029088 Density= 0.215308 ETOT(band)= -0.233782 trlgG= -0.294304 logG= -0.029088 TDE= -0.171433 logGD-logG0= -0.005270 tlogG= -0.023495 logG= -0.028765 Density= 0.215188 ETOT(band)= -0.233347 trlgG= -0.293041 logG= -0.028765 TDE= -0.171176 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.024019 logG= -0.028809 Density= 0.321526 ETOT(band)= -0.351138 trlgG= -0.441540 logG= -0.028809 TDE= -0.171233 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.024137 logG= -0.029471 Density= 0.215692 ETOT(band)= -0.234033 trlgG= -0.295374 logG= -0.029471 TDE= -0.171618 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.024175 logG= -0.029237 Density= 0.322402 ETOT(band)= -0.351250 trlgG= -0.442219 logG= -0.029237 TDE= -0.171239 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005204 tlogG= -0.024014 logG= -0.029218 Density= 0.216329 ETOT(band)= -0.233359 trlgG= -0.294482 logG= -0.029218 TDE= -0.171603 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.047264 logG= -0.057749 Density= 0.324093 ETOT(band)= -0.349576 trlgG= -0.439873 logG= -0.057749 TDE= -0.342654 logGD-logG0= -0.010438 tlogG= -0.047815 logG= -0.058253 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324311 ETOT(band)= -0.349943 trlgG= -0.441221 logG= -0.058253 TDE= -0.343046 logGD-logG0= -0.005093 tlogG= -0.023857 logG= -0.028951 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215470 ETOT(band)= -0.233778 trlgG= -0.294408 logG= -0.028951 TDE= -0.171121 logGD-logG0= -0.010482 tlogG= -0.046443 logG= -0.056926 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323956 ETOT(band)= -0.348920 trlgG= -0.437788 logG= -0.056926 TDE= -0.342097 logGD-logG0= -0.004701 tlogG= -0.023380 logG= -0.028081 Density= 0.321595 ETOT(band)= -0.350090 trlgG= -0.438963 logG= -0.028081 TDE= -0.170908 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010213 tlogG= -0.045655 logG= -0.055868 Density= 0.324002 ETOT(band)= -0.347977 trlgG= -0.435169 logG= -0.055868 TDE= -0.341472 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023971 logG= -0.029168 Density= 0.216362 ETOT(band)= -0.233255 trlgG= -0.294249 logG= -0.029168 TDE= -0.171576 logGD-logG0= -0.010725 tlogG= -0.048067 logG= -0.058793 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323208 ETOT(band)= -0.351015 trlgG= -0.442567 logG= -0.058793 TDE= -0.343039 logGD-logG0= -0.005036 tlogG= -0.024170 logG= -0.029206 Density= 0.214715 ETOT(band)= -0.234186 trlgG= -0.294662 logG= -0.029206 TDE= -0.171244 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005367 tlogG= -0.023972 logG= -0.029339 logGD-logG0= -0.001587 tlogG= -0.006879 logG= -0.008466 Density= 0.040842 ETOT(band)= -0.042677 trlgG= -0.052823 logG= -0.008466 TDE= -0.056465 Density= 0.323622 ETOT(band)= -0.350688 trlgG= -0.442310 logG= -0.029339 TDE= -0.171490 logGD-logG0= -0.004507 tlogG= -0.023598 logG= -0.028105 Density= 0.212591 ETOT(band)= -0.234012 trlgG= -0.292872 logG= -0.028105 TDE= -0.170702 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.024096 logG= -0.029364 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323023 ETOT(band)= -0.351223 trlgG= -0.442870 logG= -0.029364 TDE= -0.171432 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005382 tlogG= -0.023913 logG= -0.029295 Density= 0.215620 ETOT(band)= -0.233779 trlgG= -0.294686 logG= -0.029295 TDE= -0.171442 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023776 logG= -0.028994 Density= 0.216252 ETOT(band)= -0.233057 trlgG= -0.293545 logG= -0.028994 TDE= -0.171435 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.046630 logG= -0.056349 Density= 0.322664 ETOT(band)= -0.349044 trlgG= -0.436603 logG= -0.056349 TDE= -0.341625 logGD-logG0= -0.005048 tlogG= -0.023257 logG= -0.028305 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321663 ETOT(band)= -0.350595 trlgG= -0.439815 logG= -0.028305 TDE= -0.170862 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009538 tlogG= -0.046633 logG= -0.056171 Density= 0.428042 ETOT(band)= -0.466891 trlgG= -0.584720 logG= -0.056171 TDE= -0.341650 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010179 tlogG= -0.048174 logG= -0.058353 Density= 0.429249 ETOT(band)= -0.468306 trlgG= -0.588884 logG= -0.058353 TDE= -0.342327 logGD-logG0= -0.010290 tlogG= -0.047693 logG= -0.057983 Density= 0.428239 ETOT(band)= -0.468177 trlgG= -0.587445 logG= -0.057983 TDE= -0.341922 logGD-logG0= -0.009675 tlogG= -0.047865 logG= -0.057541 Density= 0.427984 ETOT(band)= -0.468194 trlgG= -0.588114 logG= -0.057541 TDE= -0.342281 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005430 tlogG= -0.023699 logG= -0.029129 Density= 0.215382 ETOT(band)= -0.233631 trlgG= -0.293988 logG= -0.029129 TDE= -0.171264 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008995 tlogG= -0.048118 logG= -0.057114 Density= 0.425480 ETOT(band)= -0.468379 trlgG= -0.586728 logG= -0.057114 TDE= -0.341793 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009486 tlogG= -0.046736 logG= -0.056221 Density= 0.427838 ETOT(band)= -0.466168 trlgG= -0.582112 logG= -0.056221 TDE= -0.341235 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010790 tlogG= -0.047722 logG= -0.058512 Density= 0.431040 ETOT(band)= -0.467508 trlgG= -0.588970 logG= -0.058512 TDE= -0.342792 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010313 tlogG= -0.048247 logG= -0.058560 logGD-logG0= -0.004853 tlogG= -0.022340 logG= -0.027193 Density= 0.429985 ETOT(band)= -0.468311 trlgG= -0.589654 logG= -0.058560 TDE= -0.342543 Density= 0.322831 ETOT(band)= -0.348012 trlgG= -0.434214 logG= -0.027193 TDE= -0.170256 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010692 tlogG= -0.047754 logG= -0.058446 Density= 0.430699 ETOT(band)= -0.467564 trlgG= -0.588611 logG= -0.058446 TDE= -0.342685 logGD-logG0= -0.010348 tlogG= -0.047982 logG= -0.058330 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429152 ETOT(band)= -0.468268 trlgG= -0.588531 logG= -0.058330 TDE= -0.342168 logGD-logG0= -0.009852 tlogG= -0.047879 logG= -0.057731 Density= 0.429083 ETOT(band)= -0.467971 trlgG= -0.588086 logG= -0.057731 TDE= -0.342268 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.048096 logG= -0.058619 Density= 0.430091 ETOT(band)= -0.468141 trlgG= -0.589326 logG= -0.058619 TDE= -0.342669 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009642 tlogG= -0.047791 logG= -0.057433 Density= 0.427123 ETOT(band)= -0.467956 trlgG= -0.586098 logG= -0.057433 TDE= -0.341514 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010352 tlogG= -0.046956 logG= -0.057307 Density= 0.429827 ETOT(band)= -0.466514 trlgG= -0.584486 logG= -0.057307 TDE= -0.341636 logGD-logG0= -0.009688 tlogG= -0.047672 logG= -0.057360 Density= 0.426618 ETOT(band)= -0.468406 trlgG= -0.587247 logG= -0.057360 TDE= -0.341812 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009967 tlogG= -0.046426 logG= -0.056393 Density= 0.429477 ETOT(band)= -0.465598 trlgG= -0.581787 logG= -0.056393 TDE= -0.341346 logGD-logG0= -0.010751 tlogG= -0.047293 logG= -0.058044 Density= 0.430429 ETOT(band)= -0.467140 trlgG= -0.587139 logG= -0.058044 TDE= -0.342301 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010032 tlogG= -0.047585 logG= -0.057617 Density= 0.428554 ETOT(band)= -0.467522 trlgG= -0.586484 logG= -0.057617 TDE= -0.341967 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010276 tlogG= -0.047595 logG= -0.057871 Density= 0.429956 ETOT(band)= -0.467161 trlgG= -0.586417 logG= -0.057871 TDE= -0.342082 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010715 tlogG= -0.048047 logG= -0.058762 Density= 0.431280 ETOT(band)= -0.467791 trlgG= -0.589964 logG= -0.058762 TDE= -0.343057 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005311 logG= -0.006520 Density= 0.081547 ETOT(band)= -0.085695 trlgG= -0.106261 logG= -0.006520 TDE= -0.042463 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004924 tlogG= -0.021315 logG= -0.026240 Density= 0.162627 ETOT(band)= -0.173002 trlgG= -0.216017 logG= -0.026240 TDE= -0.169889 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010004 tlogG= -0.044647 logG= -0.054651 Density= 0.324244 ETOT(band)= -0.346707 trlgG= -0.432157 logG= -0.054651 TDE= -0.340794 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004965 tlogG= -0.022305 logG= -0.027270 Density= 0.214234 ETOT(band)= -0.232460 trlgG= -0.289576 logG= -0.027270 TDE= -0.170175 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005097 tlogG= -0.021894 logG= -0.026990 Density= 0.216598 ETOT(band)= -0.230308 trlgG= -0.286619 logG= -0.026990 TDE= -0.170234 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005007 tlogG= -0.021365 logG= -0.026372 Density= 0.216991 ETOT(band)= -0.229200 trlgG= -0.284415 logG= -0.026372 TDE= -0.169902 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004966 tlogG= -0.021220 logG= -0.026186 Density= 0.216317 ETOT(band)= -0.230060 trlgG= -0.285672 logG= -0.026186 TDE= -0.169809 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009851 tlogG= -0.044651 logG= -0.054502 Density= 0.431552 ETOT(band)= -0.462124 trlgG= -0.575005 logG= -0.054502 TDE= -0.340431 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.847838431345 eV TrLogG= -407.438255839202 eV Ratio to renormalize= 1.000155039513 rho-rho_expected=-0.003410340541 nargs= 1 argi=dmft2.def 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964661829341735 0.940416435920758 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002337 tlogG= -0.011889 logG= -0.014226 Density= 0.053554 ETOT(band)= -0.058404 trlgG= -0.073294 logG= -0.014226 TDE= -0.085569 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022182 logG= -0.027157 Density= 0.108343 ETOT(band)= -0.115436 trlgG= -0.144014 logG= -0.027157 TDE= -0.170470 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.023695 logG= -0.029005 Density= 0.107217 ETOT(band)= -0.117007 trlgG= -0.146904 logG= -0.029005 TDE= -0.170955 logGD-logG0= -0.005053 tlogG= -0.022747 logG= -0.027800 Density= 0.108233 ETOT(band)= -0.115879 trlgG= -0.145058 logG= -0.027800 TDE= -0.170817 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023698 logG= -0.028430 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106961 ETOT(band)= -0.116847 trlgG= -0.146544 logG= -0.028430 TDE= -0.171044 logGD-logG0= -0.004928 tlogG= -0.023903 logG= -0.028831 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106743 ETOT(band)= -0.117119 trlgG= -0.146966 logG= -0.028831 TDE= -0.170957 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.024081 logG= -0.028985 Density= 0.107042 ETOT(band)= -0.117100 trlgG= -0.147221 logG= -0.028985 TDE= -0.171206 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004763 tlogG= -0.022864 logG= -0.027627 Density= 0.107282 ETOT(band)= -0.116242 trlgG= -0.145111 logG= -0.027627 TDE= -0.170573 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004542 ETOT(band)= -0.004733 trlgG= -0.005855 logG= -0.001050 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002614 tlogG= -0.012038 logG= -0.014652 Density= 0.053756 ETOT(band)= -0.058536 trlgG= -0.073713 logG= -0.014652 TDE= -0.085662 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001494 tlogG= -0.007815 logG= -0.009308 Density= 0.035487 ETOT(band)= -0.038926 trlgG= -0.048626 logG= -0.009308 TDE= -0.056879 logGD-logG0= -0.001413 tlogG= -0.008048 logG= -0.009460 Density= 0.035308 ETOT(band)= -0.039078 trlgG= -0.048991 logG= -0.009460 TDE= -0.057003 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002432 tlogG= -0.012088 logG= -0.014520 logGD-logG0= -0.002344 tlogG= -0.011454 logG= -0.013797 Density= 0.053577 ETOT(band)= -0.058548 trlgG= -0.073656 logG= -0.014520 TDE= -0.085649 Density= 0.053729 ETOT(band)= -0.058073 trlgG= -0.072530 logG= -0.013797 TDE= -0.085320 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004345 tlogG= -0.024062 logG= -0.028407 Density= 0.106103 ETOT(band)= -0.117170 trlgG= -0.146846 logG= -0.028407 TDE= -0.170944 logGD-logG0= -0.005172 tlogG= -0.023777 logG= -0.028949 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108163 ETOT(band)= -0.116547 trlgG= -0.146879 logG= -0.028949 TDE= -0.171455 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002570 tlogG= -0.011990 logG= -0.014560 Density= 0.054130 ETOT(band)= -0.058299 trlgG= -0.073577 logG= -0.014560 TDE= -0.085803 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023443 logG= -0.028611 Density= 0.108116 ETOT(band)= -0.116385 trlgG= -0.146344 logG= -0.028611 TDE= -0.171234 logGD-logG0= -0.004646 tlogG= -0.023216 logG= -0.027861 Density= 0.106722 ETOT(band)= -0.116626 trlgG= -0.145525 logG= -0.027861 TDE= -0.170475 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022995 logG= -0.028121 Density= 0.108120 ETOT(band)= -0.116115 trlgG= -0.145569 logG= -0.028121 TDE= -0.170951 logGD-logG0= -0.005303 tlogG= -0.024082 logG= -0.029385 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107628 ETOT(band)= -0.117074 trlgG= -0.147573 logG= -0.029385 TDE= -0.171447 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005159 tlogG= -0.023963 logG= -0.029122 Density= 0.108214 ETOT(band)= -0.116622 trlgG= -0.147158 logG= -0.029122 TDE= -0.171585 logGD-logG0= -0.005017 tlogG= -0.024104 logG= -0.029121 logGD-logG0= -0.005035 tlogG= -0.022420 logG= -0.027455 Density= 0.107620 ETOT(band)= -0.115969 trlgG= -0.144501 logG= -0.027455 TDE= -0.170302 logGD-logG0= -0.005058 tlogG= -0.022470 logG= -0.027528 Density= 0.107365 ETOT(band)= -0.117039 trlgG= -0.147195 logG= -0.029121 TDE= -0.171203 Density= 0.108188 ETOT(band)= -0.115742 trlgG= -0.144622 logG= -0.027528 TDE= -0.170631 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004569 tlogG= -0.024056 logG= -0.028625 logGD-logG0= -0.004732 tlogG= -0.023000 logG= -0.027732 Density= 0.106858 ETOT(band)= -0.116495 trlgG= -0.145263 logG= -0.027732 TDE= -0.170409 Density= 0.106374 ETOT(band)= -0.117158 trlgG= -0.146855 logG= -0.028625 TDE= -0.170869 logGD-logG0= -0.004887 tlogG= -0.022861 logG= -0.027748 Density= 0.107733 ETOT(band)= -0.116098 trlgG= -0.144985 logG= -0.027748 TDE= -0.170549 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.023653 logG= -0.028676 logGD-logG0= -0.002639 tlogG= -0.011994 logG= -0.014633 Density= 0.106964 ETOT(band)= -0.116936 trlgG= -0.146354 logG= -0.028676 TDE= -0.170609 Density= 0.053976 ETOT(band)= -0.058420 trlgG= -0.073698 logG= -0.014633 TDE= -0.085774 logGD-logG0= -0.004758 tlogG= -0.023510 logG= -0.028268 Density= 0.106759 ETOT(band)= -0.116817 trlgG= -0.146009 logG= -0.028268 TDE= -0.170571 logGD-logG0= -0.005343 tlogG= -0.024146 logG= -0.029490 logGD-logG0= -0.005149 tlogG= -0.023618 logG= -0.028767 Density= 0.107796 ETOT(band)= -0.117070 trlgG= -0.147762 logG= -0.029490 TDE= -0.171616 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024100 logG= -0.029411 Density= 0.107873 ETOT(band)= -0.116982 trlgG= -0.147637 logG= -0.029411 TDE= -0.171607 Density= 0.108189 ETOT(band)= -0.116432 trlgG= -0.146588 logG= -0.028767 TDE= -0.171358 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.023913 logG= -0.029249 logGD-logG0= -0.005118 tlogG= -0.023229 logG= -0.028347 Density= 0.107737 ETOT(band)= -0.116940 trlgG= -0.147358 logG= -0.029249 TDE= -0.171423 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004853 tlogG= -0.023700 logG= -0.028553 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.116209 trlgG= -0.145925 logG= -0.028347 TDE= -0.171110 Density= 0.107364 ETOT(band)= -0.116728 trlgG= -0.146453 logG= -0.028553 TDE= -0.171029 logGD-logG0= -0.004704 tlogG= -0.023679 logG= -0.028382 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.022887 logG= -0.028021 logGD-logG0= -0.005146 tlogG= -0.023884 logG= -0.029031 Density= 0.106583 ETOT(band)= -0.116964 trlgG= -0.146439 logG= -0.028382 TDE= -0.170799 Density= 0.108234 ETOT(band)= -0.116558 trlgG= -0.147009 logG= -0.029031 TDE= -0.171538 Density= 0.107602 ETOT(band)= -0.116302 trlgG= -0.145397 logG= -0.028021 TDE= -0.170623 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023978 logG= -0.029231 Density= 0.107430 ETOT(band)= -0.117060 trlgG= -0.147299 logG= -0.029231 TDE= -0.171230 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023207 logG= -0.028533 Density= 0.107669 ETOT(band)= -0.116550 trlgG= -0.146207 logG= -0.028533 TDE= -0.170954 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.024072 logG= -0.029357 Density= 0.107932 ETOT(band)= -0.116915 trlgG= -0.147548 logG= -0.029357 TDE= -0.171602 logGD-logG0= -0.005296 tlogG= -0.023883 logG= -0.029179 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107901 ETOT(band)= -0.116808 trlgG= -0.147251 logG= -0.029179 TDE= -0.171467 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023593 logG= -0.028926 logGD-logG0= -0.009831 tlogG= -0.048267 logG= -0.058098 Density= 0.214373 ETOT(band)= -0.234159 trlgG= -0.294516 logG= -0.058098 TDE= -0.342501 Density= 0.107786 ETOT(band)= -0.116712 trlgG= -0.146836 logG= -0.028926 TDE= -0.171247 logGD-logG0= -0.009696 tlogG= -0.047183 logG= -0.056879 logGD-logG0= -0.009516 tlogG= -0.045784 logG= -0.055300 Density= 0.214989 ETOT(band)= -0.232318 trlgG= -0.290124 logG= -0.055300 TDE= -0.341211 Density= 0.213738 ETOT(band)= -0.233752 trlgG= -0.292941 logG= -0.056879 TDE= -0.341830 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001698 tlogG= -0.007308 logG= -0.009006 Density= 0.035839 ETOT(band)= -0.038578 trlgG= -0.047929 logG= -0.009006 TDE= -0.056658 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001631 tlogG= -0.006996 logG= -0.008627 Density= 0.036191 ETOT(band)= -0.038129 trlgG= -0.047268 logG= -0.008627 TDE= -0.056550 logGD-logG0= -0.009976 tlogG= -0.047924 logG= -0.057900 Density= 0.213941 ETOT(band)= -0.234197 trlgG= -0.294205 logG= -0.057900 TDE= -0.342173 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009156 tlogG= -0.047652 logG= -0.056808 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212897 ETOT(band)= -0.234051 trlgG= -0.293011 logG= -0.056808 TDE= -0.341555 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.047951 logG= -0.057538 Density= 0.213245 ETOT(band)= -0.234260 trlgG= -0.293656 logG= -0.057538 TDE= -0.341643 logGD-logG0= -0.010508 tlogG= -0.048105 logG= -0.058613 Density= 0.215044 ETOT(band)= -0.234137 trlgG= -0.294862 logG= -0.058613 TDE= -0.342664 logGD-logG0= -0.009860 tlogG= -0.047175 logG= -0.057035 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010553 tlogG= -0.047771 logG= -0.058323 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214730 ETOT(band)= -0.234083 trlgG= -0.294351 logG= -0.058323 TDE= -0.342287 Density= 0.213750 ETOT(band)= -0.233796 trlgG= -0.292732 logG= -0.057035 TDE= -0.341471 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002413 tlogG= -0.010432 logG= -0.012845 Density= 0.054370 ETOT(band)= -0.057076 trlgG= -0.070724 logG= -0.012845 TDE= -0.084784 logGD-logG0= -0.009469 tlogG= -0.047471 logG= -0.056940 Density= 0.214283 ETOT(band)= -0.233583 trlgG= -0.293071 logG= -0.056940 TDE= -0.342169 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009795 tlogG= -0.045614 logG= -0.055410 Density= 0.214335 ETOT(band)= -0.232668 trlgG= -0.290302 logG= -0.055410 TDE= -0.340956 logGD-logG0= -0.010357 tlogG= -0.048003 logG= -0.058360 logGD-logG0= -0.010100 tlogG= -0.048053 logG= -0.058153 Density= 0.214504 ETOT(band)= -0.234106 trlgG= -0.294265 logG= -0.058153 TDE= -0.342260 Density= 0.215046 ETOT(band)= -0.233992 trlgG= -0.294446 logG= -0.058360 TDE= -0.342502 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010642 tlogG= -0.047555 logG= -0.058198 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215673 ETOT(band)= -0.233583 trlgG= -0.294234 logG= -0.058198 TDE= -0.342762 logGD-logG0= -0.009901 tlogG= -0.045673 logG= -0.055574 Density= 0.215121 ETOT(band)= -0.232394 trlgG= -0.290116 logG= -0.055574 TDE= -0.340994 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010218 tlogG= -0.047683 logG= -0.057901 Density= 0.213922 ETOT(band)= -0.234184 trlgG= -0.293957 logG= -0.057901 TDE= -0.341916 logGD-logG0= -0.010590 tlogG= -0.048039 logG= -0.058628 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215080 ETOT(band)= -0.234128 trlgG= -0.294890 logG= -0.058628 TDE= -0.342694 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010703 tlogG= -0.048169 logG= -0.058872 logGD-logG0= -0.010417 tlogG= -0.047810 logG= -0.058228 logGD-logG0= -0.010446 tlogG= -0.047331 logG= -0.057776 Density= 0.215396 ETOT(band)= -0.234154 trlgG= -0.295327 logG= -0.058872 TDE= -0.343044 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214235 ETOT(band)= -0.233976 trlgG= -0.293433 logG= -0.057776 TDE= -0.341671 Density= 0.214629 ETOT(band)= -0.234077 trlgG= -0.294182 logG= -0.058228 TDE= -0.342164 logGD-logG0= -0.010568 tlogG= -0.047968 logG= -0.058536 Density= 0.215869 ETOT(band)= -0.233700 trlgG= -0.294796 logG= -0.058536 TDE= -0.343083 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002474 tlogG= -0.010847 logG= -0.013321 Density= 0.054056 ETOT(band)= -0.057593 trlgG= -0.071571 logG= -0.013321 TDE= -0.085000 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010215 tlogG= -0.046436 logG= -0.056651 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010612 tlogG= -0.047445 logG= -0.058057 Density= 0.215188 ETOT(band)= -0.232956 trlgG= -0.291750 logG= -0.056651 TDE= -0.341585 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215441 ETOT(band)= -0.233624 trlgG= -0.293994 logG= -0.058057 TDE= -0.342548 logGD-logG0= -0.010654 tlogG= -0.046903 logG= -0.057557 logGD-logG0= -0.010623 tlogG= -0.047917 logG= -0.058539 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215402 ETOT(band)= -0.233347 trlgG= -0.293193 logG= -0.057557 TDE= -0.342228 Density= 0.215741 ETOT(band)= -0.233773 trlgG= -0.294798 logG= -0.058539 TDE= -0.343018 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.021577 logG= -0.026501 Density= 0.108498 ETOT(band)= -0.114886 trlgG= -0.142885 logG= -0.026501 TDE= -0.170074 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010126 tlogG= -0.047176 logG= -0.057302 logGD-logG0= -0.009824 tlogG= -0.047248 logG= -0.057073 Density= 0.214449 ETOT(band)= -0.233544 trlgG= -0.292844 logG= -0.057073 TDE= -0.341892 Density= 0.215123 ETOT(band)= -0.233358 trlgG= -0.292767 logG= -0.057302 TDE= -0.341919 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.021002 logG= -0.025845 Density= 0.108694 ETOT(band)= -0.114298 trlgG= -0.141728 logG= -0.025845 TDE= -0.169670 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.021888 logG= -0.026898 Density= 0.108308 ETOT(band)= -0.115252 trlgG= -0.143564 logG= -0.026898 TDE= -0.170263 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001263 tlogG= -0.005751 logG= -0.007014 Density= 0.080625 ETOT(band)= -0.087403 trlgG= -0.109659 logG= -0.007014 TDE= -0.042748 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005091 tlogG= -0.021830 logG= -0.026920 Density= 0.107774 ETOT(band)= -0.115540 trlgG= -0.143626 logG= -0.026920 TDE= -0.170037 logGD-logG0= -0.004372 tlogG= -0.023985 logG= -0.028356 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005136 tlogG= -0.022452 logG= -0.027588 Density= 0.216340 ETOT(band)= -0.231302 trlgG= -0.288731 logG= -0.027588 TDE= -0.170572 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106154 ETOT(band)= -0.117126 trlgG= -0.146732 logG= -0.028356 TDE= -0.170907 logGD-logG0= -0.005096 tlogG= -0.023969 logG= -0.029064 Density= 0.214313 ETOT(band)= -0.234110 trlgG= -0.294040 logG= -0.029064 TDE= -0.171069 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.022981 logG= -0.028178 Density= 0.216196 ETOT(band)= -0.232100 trlgG= -0.290717 logG= -0.028178 TDE= -0.170906 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.021706 logG= -0.026738 Density= 0.107917 ETOT(band)= -0.115348 trlgG= -0.143316 logG= -0.026738 TDE= -0.169981 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004852 tlogG= -0.023848 logG= -0.028700 Density= 0.213545 ETOT(band)= -0.234163 trlgG= -0.293869 logG= -0.028700 TDE= -0.171054 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004757 tlogG= -0.024019 logG= -0.028776 Density= 0.214093 ETOT(band)= -0.234102 trlgG= -0.294258 logG= -0.028776 TDE= -0.171236 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004669 tlogG= -0.023382 logG= -0.028052 Density= 0.214155 ETOT(band)= -0.233389 trlgG= -0.292465 logG= -0.028052 TDE= -0.170914 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010057 tlogG= -0.043413 logG= -0.053470 Density= 0.216248 ETOT(band)= -0.230486 trlgG= -0.286608 logG= -0.053470 TDE= -0.340148 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004812 tlogG= -0.022339 logG= -0.027151 Density= 0.215000 ETOT(band)= -0.231969 trlgG= -0.289217 logG= -0.027151 TDE= -0.170259 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001439 tlogG= -0.007969 logG= -0.009408 Density= 0.070857 ETOT(band)= -0.077955 trlgG= -0.097496 logG= -0.009408 TDE= -0.056964 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005942 logG= -0.007224 Density= 0.080821 ETOT(band)= -0.087653 trlgG= -0.110411 logG= -0.007224 TDE= -0.042867 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004319 tlogG= -0.024142 logG= -0.028460 Density= 0.212143 ETOT(band)= -0.234389 trlgG= -0.293815 logG= -0.028460 TDE= -0.170983 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001587 tlogG= -0.006878 logG= -0.008466 Density= 0.040842 ETOT(band)= -0.042677 trlgG= -0.052822 logG= -0.008466 TDE= -0.056464 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004452 tlogG= -0.023750 logG= -0.028202 Density= 0.213059 ETOT(band)= -0.233601 trlgG= -0.291892 logG= -0.028202 TDE= -0.170785 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001191 tlogG= -0.005174 logG= -0.006365 Density= 0.062532 ETOT(band)= -0.067549 trlgG= -0.084245 logG= -0.006365 TDE= -0.042361 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004622 tlogG= -0.023900 logG= -0.028522 Density= 0.213254 ETOT(band)= -0.233876 trlgG= -0.292621 logG= -0.028522 TDE= -0.170788 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005859 logG= -0.007136 Density= 0.080638 ETOT(band)= -0.087618 trlgG= -0.110214 logG= -0.007136 TDE= -0.042813 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.022915 logG= -0.027902 Density= 0.214769 ETOT(band)= -0.232416 trlgG= -0.289817 logG= -0.027902 TDE= -0.170437 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005987 logG= -0.007267 Density= 0.081050 ETOT(band)= -0.087556 trlgG= -0.110464 logG= -0.007267 TDE= -0.042897 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007592 logG= -0.009170 Density= 0.071488 ETOT(band)= -0.077353 trlgG= -0.096197 logG= -0.009170 TDE= -0.056739 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001242 tlogG= -0.005623 logG= -0.006864 Density= 0.080826 ETOT(band)= -0.086974 trlgG= -0.108656 logG= -0.006864 TDE= -0.042671 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023812 logG= -0.029087 logGD-logG0= -0.005241 tlogG= -0.024014 logG= -0.029256 Density= 0.215659 ETOT(band)= -0.233873 trlgG= -0.294953 logG= -0.029256 TDE= -0.171583 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215307 ETOT(band)= -0.233779 trlgG= -0.294298 logG= -0.029087 TDE= -0.171431 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005198 tlogG= -0.023970 logG= -0.029167 Density= 0.216361 ETOT(band)= -0.233251 trlgG= -0.294243 logG= -0.029167 TDE= -0.171574 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005382 tlogG= -0.023911 logG= -0.029294 Density= 0.215619 ETOT(band)= -0.233775 trlgG= -0.294680 logG= -0.029294 TDE= -0.171439 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023856 logG= -0.028950 Density= 0.215468 ETOT(band)= -0.233774 trlgG= -0.294402 logG= -0.028950 TDE= -0.171119 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.023494 logG= -0.028764 logGD-logG0= -0.005430 tlogG= -0.023697 logG= -0.029128 Density= 0.215381 ETOT(band)= -0.233627 trlgG= -0.293982 logG= -0.029128 TDE= -0.171262 Density= 0.215187 ETOT(band)= -0.233344 trlgG= -0.293035 logG= -0.028764 TDE= -0.171174 logGD-logG0= -0.005205 tlogG= -0.024013 logG= -0.029217 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216327 ETOT(band)= -0.233355 trlgG= -0.294476 logG= -0.029217 TDE= -0.171601 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023775 logG= -0.028993 Density= 0.216250 ETOT(band)= -0.233053 trlgG= -0.293539 logG= -0.028993 TDE= -0.171433 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008995 tlogG= -0.048117 logG= -0.057112 Density= 0.425478 ETOT(band)= -0.468372 trlgG= -0.586717 logG= -0.057112 TDE= -0.341789 logGD-logG0= -0.001210 tlogG= -0.005310 logG= -0.006520 Density= 0.081547 ETOT(band)= -0.085694 trlgG= -0.106258 logG= -0.006520 TDE= -0.042462 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.024169 logG= -0.029205 logGD-logG0= -0.005062 tlogG= -0.024174 logG= -0.029236 Density= 0.214714 ETOT(band)= -0.234183 trlgG= -0.294656 logG= -0.029205 TDE= -0.171241 Density= 0.322400 ETOT(band)= -0.351245 trlgG= -0.442209 logG= -0.029236 TDE= -0.171236 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.024018 logG= -0.028808 Density= 0.321524 ETOT(band)= -0.351132 trlgG= -0.441531 logG= -0.028808 TDE= -0.171231 logGD-logG0= -0.005334 tlogG= -0.024135 logG= -0.029470 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215691 ETOT(band)= -0.234029 trlgG= -0.295368 logG= -0.029470 TDE= -0.171616 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009688 tlogG= -0.047671 logG= -0.057358 Density= 0.426616 ETOT(band)= -0.468399 trlgG= -0.587236 logG= -0.057358 TDE= -0.341808 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.023379 logG= -0.028081 logGD-logG0= -0.010439 tlogG= -0.047813 logG= -0.058251 logGD-logG0= -0.004925 tlogG= -0.021314 logG= -0.026239 Density= 0.321593 ETOT(band)= -0.350084 trlgG= -0.438955 logG= -0.028081 TDE= -0.170906 Density= 0.162626 ETOT(band)= -0.172999 trlgG= -0.216013 logG= -0.026239 TDE= -0.169887 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324309 ETOT(band)= -0.349938 trlgG= -0.441212 logG= -0.058251 TDE= -0.343041 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007121 logG= -0.008820 Density= 0.072220 ETOT(band)= -0.076485 trlgG= -0.094884 logG= -0.008820 TDE= -0.056625 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004936 tlogG= -0.023892 logG= -0.028829 Density= 0.213761 ETOT(band)= -0.234024 trlgG= -0.293132 logG= -0.028829 TDE= -0.170798 logGD-logG0= -0.004965 tlogG= -0.022304 logG= -0.027269 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214233 ETOT(band)= -0.232456 trlgG= -0.289570 logG= -0.027269 TDE= -0.170172 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010726 tlogG= -0.048065 logG= -0.058791 logGD-logG0= -0.004596 tlogG= -0.023983 logG= -0.028579 Density= 0.323206 ETOT(band)= -0.351010 trlgG= -0.442557 logG= -0.058791 TDE= -0.343034 logGD-logG0= -0.005224 tlogG= -0.023428 logG= -0.028653 Density= 0.216169 ETOT(band)= -0.232674 trlgG= -0.292332 logG= -0.028653 TDE= -0.171194 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212780 ETOT(band)= -0.234286 trlgG= -0.293615 logG= -0.028579 TDE= -0.170837 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010485 tlogG= -0.047262 logG= -0.057747 Density= 0.324091 ETOT(band)= -0.349570 trlgG= -0.439864 logG= -0.057747 TDE= -0.342649 logGD-logG0= -0.009719 tlogG= -0.046628 logG= -0.056347 Density= 0.322663 ETOT(band)= -0.349038 trlgG= -0.436595 logG= -0.056347 TDE= -0.341620 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010213 tlogG= -0.045652 logG= -0.055866 Density= 0.324001 ETOT(band)= -0.347971 trlgG= -0.435160 logG= -0.055866 TDE= -0.341467 logGD-logG0= -0.005048 tlogG= -0.023256 logG= -0.028304 logGD-logG0= -0.004800 tlogG= -0.023256 logG= -0.028056 Density= 0.321662 ETOT(band)= -0.350590 trlgG= -0.439806 logG= -0.028304 TDE= -0.170860 logGD-logG0= -0.004935 tlogG= -0.022484 logG= -0.027419 Density= 0.214995 ETOT(band)= -0.231680 trlgG= -0.288172 logG= -0.027419 TDE= -0.170186 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.024095 logG= -0.029363 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323021 ETOT(band)= -0.351218 trlgG= -0.442861 logG= -0.029363 TDE= -0.171429 Density= 0.213471 ETOT(band)= -0.233630 trlgG= -0.292352 logG= -0.028056 TDE= -0.170750 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.046441 logG= -0.056924 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323954 ETOT(band)= -0.348914 trlgG= -0.437779 logG= -0.056924 TDE= -0.342092 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009641 tlogG= -0.047790 logG= -0.057431 Density= 0.427121 ETOT(band)= -0.467948 trlgG= -0.586087 logG= -0.057431 TDE= -0.341510 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005189 tlogG= -0.023205 logG= -0.028394 Density= 0.214840 ETOT(band)= -0.232970 trlgG= -0.291348 logG= -0.028394 TDE= -0.170624 logGD-logG0= -0.005367 tlogG= -0.023971 logG= -0.029338 Density= 0.323620 ETOT(band)= -0.350682 trlgG= -0.442301 logG= -0.029338 TDE= -0.171488 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009676 tlogG= -0.047863 logG= -0.057539 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427981 ETOT(band)= -0.468187 trlgG= -0.588102 logG= -0.057539 TDE= -0.342277 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009967 tlogG= -0.046424 logG= -0.056391 logGD-logG0= -0.005454 tlogG= -0.023366 logG= -0.028820 Density= 0.429475 ETOT(band)= -0.465590 trlgG= -0.581775 logG= -0.056391 TDE= -0.341341 Density= 0.215080 ETOT(band)= -0.233369 trlgG= -0.292842 logG= -0.028820 TDE= -0.170968 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010180 tlogG= -0.048172 logG= -0.058351 Density= 0.429247 ETOT(band)= -0.468299 trlgG= -0.588872 logG= -0.058351 TDE= -0.342323 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009486 tlogG= -0.046734 logG= -0.056220 Density= 0.427836 ETOT(band)= -0.466160 trlgG= -0.582100 logG= -0.056220 TDE= -0.341230 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009538 tlogG= -0.046631 logG= -0.056169 Density= 0.428040 ETOT(band)= -0.466883 trlgG= -0.584708 logG= -0.056169 TDE= -0.341646 logGD-logG0= -0.010290 tlogG= -0.047691 logG= -0.057982 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428237 ETOT(band)= -0.468169 trlgG= -0.587433 logG= -0.057982 TDE= -0.341917 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010791 tlogG= -0.047719 logG= -0.058510 Density= 0.431038 ETOT(band)= -0.467500 trlgG= -0.588958 logG= -0.058510 TDE= -0.342787 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009852 tlogG= -0.047877 logG= -0.057729 Density= 0.429080 ETOT(band)= -0.467963 trlgG= -0.588074 logG= -0.057729 TDE= -0.342263 logGD-logG0= -0.010313 tlogG= -0.048245 logG= -0.058558 Density= 0.429982 ETOT(band)= -0.468304 trlgG= -0.589641 logG= -0.058558 TDE= -0.342538 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.021892 logG= -0.026989 Density= 0.216597 ETOT(band)= -0.230304 trlgG= -0.286613 logG= -0.026989 TDE= -0.170232 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010348 tlogG= -0.047980 logG= -0.058328 Density= 0.429150 ETOT(band)= -0.468260 trlgG= -0.588518 logG= -0.058328 TDE= -0.342163 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.048094 logG= -0.058618 Density= 0.430089 ETOT(band)= -0.468134 trlgG= -0.589314 logG= -0.058618 TDE= -0.342664 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010692 tlogG= -0.047752 logG= -0.058444 Density= 0.430696 ETOT(band)= -0.467557 trlgG= -0.588599 logG= -0.058444 TDE= -0.342680 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010004 tlogG= -0.044645 logG= -0.054649 Density= 0.324243 ETOT(band)= -0.346701 trlgG= -0.432148 logG= -0.054649 TDE= -0.340789 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010715 tlogG= -0.048045 logG= -0.058760 Density= 0.431278 ETOT(band)= -0.467783 trlgG= -0.589952 logG= -0.058760 TDE= -0.343052 logGD-logG0= -0.010352 tlogG= -0.046954 logG= -0.057306 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429824 ETOT(band)= -0.466506 trlgG= -0.584474 logG= -0.057306 TDE= -0.341631 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.021364 logG= -0.026371 logGD-logG0= -0.010032 tlogG= -0.047583 logG= -0.057615 Density= 0.216990 ETOT(band)= -0.229196 trlgG= -0.284409 logG= -0.026371 TDE= -0.169900 Density= 0.428552 ETOT(band)= -0.467514 trlgG= -0.586473 logG= -0.057615 TDE= -0.341962 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004853 tlogG= -0.022339 logG= -0.027192 Density= 0.322829 ETOT(band)= -0.348006 trlgG= -0.434205 logG= -0.027192 TDE= -0.170253 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010276 tlogG= -0.047593 logG= -0.057869 Density= 0.429954 ETOT(band)= -0.467153 trlgG= -0.586404 logG= -0.057869 TDE= -0.342077 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010751 tlogG= -0.047291 logG= -0.058042 Density= 0.430426 ETOT(band)= -0.467132 trlgG= -0.587127 logG= -0.058042 TDE= -0.342296 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005471 logG= -0.006700 Density= 0.081189 ETOT(band)= -0.086361 trlgG= -0.107418 logG= -0.006700 TDE= -0.042574 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004966 tlogG= -0.021219 logG= -0.026185 Density= 0.216316 ETOT(band)= -0.230056 trlgG= -0.285666 logG= -0.026185 TDE= -0.169806 logGD-logG0= -0.004507 tlogG= -0.023597 logG= -0.028104 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212590 ETOT(band)= -0.234008 trlgG= -0.292867 logG= -0.028104 TDE= -0.170700 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009852 tlogG= -0.044648 logG= -0.054500 Density= 0.431550 ETOT(band)= -0.462117 trlgG= -0.574993 logG= -0.054500 TDE= -0.340426 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.842564288823 eV TrLogG= -407.429099038787 eV Ratio to renormalize= 1.000160192393 rho-rho_expected=-0.003523668175 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964683587998914 0.940441450025582 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004312 tlogG= -0.024060 logG= -0.028372 Density= 0.106150 ETOT(band)= -0.117158 trlgG= -0.146790 logG= -0.028372 TDE= -0.170946 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004339 tlogG= -0.023983 logG= -0.028322 Density= 0.106202 ETOT(band)= -0.117114 trlgG= -0.146677 logG= -0.028322 TDE= -0.170908 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022418 logG= -0.027422 Density= 0.107660 ETOT(band)= -0.115960 trlgG= -0.144450 logG= -0.027422 TDE= -0.170304 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002398 tlogG= -0.010431 logG= -0.012829 Density= 0.054388 ETOT(band)= -0.057072 trlgG= -0.070700 logG= -0.012829 TDE= -0.084785 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001687 tlogG= -0.007307 logG= -0.008995 Density= 0.035852 ETOT(band)= -0.038575 trlgG= -0.047912 logG= -0.008995 TDE= -0.056659 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004894 tlogG= -0.021575 logG= -0.026468 Density= 0.108535 ETOT(band)= -0.114878 trlgG= -0.142836 logG= -0.026468 TDE= -0.170076 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021704 logG= -0.026705 Density= 0.107956 ETOT(band)= -0.115340 trlgG= -0.143266 logG= -0.026705 TDE= -0.169983 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002321 tlogG= -0.011888 logG= -0.014209 Density= 0.053576 ETOT(band)= -0.058399 trlgG= -0.073267 logG= -0.014209 TDE= -0.085570 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004544 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002416 tlogG= -0.012087 logG= -0.014503 logGD-logG0= -0.004944 tlogG= -0.022180 logG= -0.027124 Density= 0.053598 ETOT(band)= -0.058543 trlgG= -0.073629 logG= -0.014503 TDE= -0.085650 Density= 0.108381 ETOT(band)= -0.115428 trlgG= -0.143964 logG= -0.027124 TDE= -0.170472 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005278 tlogG= -0.023693 logG= -0.028971 Density= 0.107260 ETOT(band)= -0.116998 trlgG= -0.146851 logG= -0.028971 TDE= -0.170957 logGD-logG0= -0.002328 tlogG= -0.011453 logG= -0.013781 Density= 0.053750 ETOT(band)= -0.058068 trlgG= -0.072504 logG= -0.013781 TDE= -0.085321 logGD-logG0= -0.002598 tlogG= -0.012037 logG= -0.014635 logGD-logG0= -0.001483 tlogG= -0.007814 logG= -0.009297 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053776 ETOT(band)= -0.058532 trlgG= -0.073687 logG= -0.014635 TDE= -0.085664 Density= 0.035502 ETOT(band)= -0.038923 trlgG= -0.048608 logG= -0.009297 TDE= -0.056880 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.023901 logG= -0.028797 logGD-logG0= -0.004699 tlogG= -0.023696 logG= -0.028395 Density= 0.107005 ETOT(band)= -0.116837 trlgG= -0.146490 logG= -0.028395 TDE= -0.171046 Density= 0.106787 ETOT(band)= -0.117108 trlgG= -0.146912 logG= -0.028797 TDE= -0.170959 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004872 tlogG= -0.024079 logG= -0.028950 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107085 ETOT(band)= -0.117090 trlgG= -0.147167 logG= -0.028950 TDE= -0.171208 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004732 tlogG= -0.022862 logG= -0.027594 Density= 0.107324 ETOT(band)= -0.116233 trlgG= -0.145059 logG= -0.027594 TDE= -0.170575 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002554 tlogG= -0.011989 logG= -0.014543 logGD-logG0= -0.005027 tlogG= -0.022468 logG= -0.027495 Density= 0.054150 ETOT(band)= -0.058295 trlgG= -0.073551 logG= -0.014543 TDE= -0.085804 Density= 0.108226 ETOT(band)= -0.115734 trlgG= -0.144572 logG= -0.027495 TDE= -0.170633 logGD-logG0= -0.005136 tlogG= -0.023441 logG= -0.028577 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108155 ETOT(band)= -0.116377 trlgG= -0.146293 logG= -0.028577 TDE= -0.171236 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.023774 logG= -0.028916 Density= 0.108202 ETOT(band)= -0.116539 trlgG= -0.146829 logG= -0.028916 TDE= -0.171457 logGD-logG0= -0.002623 tlogG= -0.011993 logG= -0.014616 logGD-logG0= -0.005271 tlogG= -0.024080 logG= -0.029351 Density= 0.107669 ETOT(band)= -0.117065 trlgG= -0.147521 logG= -0.029351 TDE= -0.171450 Density= 0.053996 ETOT(band)= -0.058415 trlgG= -0.073672 logG= -0.014616 TDE= -0.085776 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023961 logG= -0.029089 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108253 ETOT(band)= -0.116613 trlgG= -0.147107 logG= -0.029089 TDE= -0.171587 logGD-logG0= -0.004536 tlogG= -0.024054 logG= -0.028590 Density= 0.106420 ETOT(band)= -0.117147 trlgG= -0.146799 logG= -0.028590 TDE= -0.170871 logGD-logG0= -0.005095 tlogG= -0.022993 logG= -0.028088 Density= 0.108159 ETOT(band)= -0.116107 trlgG= -0.145519 logG= -0.028088 TDE= -0.170953 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.024144 logG= -0.029455 logGD-logG0= -0.004985 tlogG= -0.024102 logG= -0.029087 Density= 0.107837 ETOT(band)= -0.117061 trlgG= -0.147710 logG= -0.029455 TDE= -0.171618 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.023616 logG= -0.028734 Density= 0.108228 ETOT(band)= -0.116423 trlgG= -0.146538 logG= -0.028734 TDE= -0.171360 Density= 0.107407 ETOT(band)= -0.117029 trlgG= -0.147142 logG= -0.029087 TDE= -0.171205 logGD-logG0= -0.004822 tlogG= -0.023698 logG= -0.028519 Density= 0.107406 ETOT(band)= -0.116718 trlgG= -0.146400 logG= -0.028519 TDE= -0.171031 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004855 tlogG= -0.022859 logG= -0.027714 Density= 0.107773 ETOT(band)= -0.116089 trlgG= -0.144934 logG= -0.027714 TDE= -0.170551 logGD-logG0= -0.005279 tlogG= -0.024098 logG= -0.029377 Density= 0.107914 ETOT(band)= -0.116973 trlgG= -0.147585 logG= -0.029377 TDE= -0.171609 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023226 logG= -0.028314 logGD-logG0= -0.005221 tlogG= -0.023976 logG= -0.029197 Density= 0.107472 ETOT(band)= -0.117050 trlgG= -0.147247 logG= -0.029197 TDE= -0.171232 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108218 ETOT(band)= -0.116200 trlgG= -0.145874 logG= -0.028314 TDE= -0.171112 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005115 tlogG= -0.023882 logG= -0.028997 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023911 logG= -0.029215 Density= 0.107778 ETOT(band)= -0.116931 trlgG= -0.147306 logG= -0.029215 TDE= -0.171425 logGD-logG0= -0.004990 tlogG= -0.023651 logG= -0.028642 Density= 0.107007 ETOT(band)= -0.116926 trlgG= -0.146300 logG= -0.028642 TDE= -0.170611 logGD-logG0= -0.004671 tlogG= -0.023677 logG= -0.028348 logGD-logG0= -0.005022 tlogG= -0.022744 logG= -0.027767 Density= 0.108272 ETOT(band)= -0.115871 trlgG= -0.145008 logG= -0.027767 TDE= -0.170819 Density= 0.108273 ETOT(band)= -0.116549 trlgG= -0.146958 logG= -0.028997 TDE= -0.171540 Density= 0.106628 ETOT(band)= -0.116953 trlgG= -0.146385 logG= -0.028348 TDE= -0.170801 logGD-logG0= -0.005103 tlogG= -0.022885 logG= -0.027987 Density= 0.107642 ETOT(band)= -0.116293 trlgG= -0.145346 logG= -0.027987 TDE= -0.170625 logGD-logG0= -0.004701 tlogG= -0.022998 logG= -0.027699 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.023508 logG= -0.028235 Density= 0.106901 ETOT(band)= -0.116485 trlgG= -0.145210 logG= -0.027699 TDE= -0.170411 Density= 0.106803 ETOT(band)= -0.116807 trlgG= -0.145956 logG= -0.028235 TDE= -0.170573 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002459 tlogG= -0.010846 logG= -0.013304 logGD-logG0= -0.005294 tlogG= -0.023205 logG= -0.028499 Density= 0.107709 ETOT(band)= -0.116541 trlgG= -0.146155 logG= -0.028499 TDE= -0.170956 logGD-logG0= -0.005265 tlogG= -0.023881 logG= -0.029146 Density= 0.054075 ETOT(band)= -0.057589 trlgG= -0.071546 logG= -0.013304 TDE= -0.085001 Density= 0.107941 ETOT(band)= -0.116799 trlgG= -0.147200 logG= -0.029146 TDE= -0.171469 logGD-logG0= -0.009766 tlogG= -0.048263 logG= -0.058029 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214459 ETOT(band)= -0.234139 trlgG= -0.294409 logG= -0.058029 TDE= -0.342505 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.045780 logG= -0.055234 Density= 0.215071 ETOT(band)= -0.232300 trlgG= -0.290021 logG= -0.055234 TDE= -0.341215 logGD-logG0= -0.005254 tlogG= -0.024069 logG= -0.029323 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107972 ETOT(band)= -0.116906 trlgG= -0.147497 logG= -0.029323 TDE= -0.171604 logGD-logG0= -0.009632 tlogG= -0.047179 logG= -0.056811 Density= 0.213826 ETOT(band)= -0.233731 trlgG= -0.292833 logG= -0.056811 TDE= -0.341834 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009733 tlogG= -0.045610 logG= -0.055343 Density= 0.214419 ETOT(band)= -0.232649 trlgG= -0.290197 logG= -0.055343 TDE= -0.340960 logGD-logG0= -0.009911 tlogG= -0.047920 logG= -0.057831 logGD-logG0= -0.009795 tlogG= -0.047172 logG= -0.056967 Density= 0.214028 ETOT(band)= -0.234176 trlgG= -0.294097 logG= -0.057831 TDE= -0.342177 logGD-logG0= -0.009091 tlogG= -0.047649 logG= -0.056740 Density= 0.212988 ETOT(band)= -0.234029 trlgG= -0.292902 logG= -0.056740 TDE= -0.341559 logGD-logG0= -0.009521 tlogG= -0.047948 logG= -0.057469 Density= 0.213334 ETOT(band)= -0.234239 trlgG= -0.293547 logG= -0.057469 TDE= -0.341647 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213837 ETOT(band)= -0.233776 trlgG= -0.292625 logG= -0.056967 TDE= -0.341475 logGD-logG0= -0.010444 tlogG= -0.048101 logG= -0.058545 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215127 ETOT(band)= -0.234117 trlgG= -0.294758 logG= -0.058545 TDE= -0.342668 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023590 logG= -0.028893 Density= 0.107826 ETOT(band)= -0.116703 trlgG= -0.146785 logG= -0.028893 TDE= -0.171250 logGD-logG0= -0.010489 tlogG= -0.047767 logG= -0.058255 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214814 ETOT(band)= -0.234063 trlgG= -0.294246 logG= -0.058255 TDE= -0.342292 logGD-logG0= -0.010292 tlogG= -0.047999 logG= -0.058292 Density= 0.215129 ETOT(band)= -0.233973 trlgG= -0.294341 logG= -0.058292 TDE= -0.342506 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009405 tlogG= -0.047467 logG= -0.056872 Density= 0.214369 ETOT(band)= -0.233563 trlgG= -0.292964 logG= -0.056872 TDE= -0.342173 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010525 tlogG= -0.048035 logG= -0.058560 Density= 0.215163 ETOT(band)= -0.234109 trlgG= -0.294785 logG= -0.058560 TDE= -0.342698 logGD-logG0= -0.010353 tlogG= -0.047806 logG= -0.058159 Density= 0.214713 ETOT(band)= -0.234057 trlgG= -0.294077 logG= -0.058159 TDE= -0.342168 logGD-logG0= -0.010153 tlogG= -0.047679 logG= -0.057832 logGD-logG0= -0.009838 tlogG= -0.045669 logG= -0.055507 Density= 0.215203 ETOT(band)= -0.232376 trlgG= -0.290013 logG= -0.055507 TDE= -0.340998 Density= 0.214009 ETOT(band)= -0.234163 trlgG= -0.293849 logG= -0.057832 TDE= -0.341919 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010580 tlogG= -0.047551 logG= -0.058130 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215753 ETOT(band)= -0.233566 trlgG= -0.294131 logG= -0.058130 TDE= -0.342766 logGD-logG0= -0.001621 tlogG= -0.006995 logG= -0.008616 logGD-logG0= -0.010036 tlogG= -0.048049 logG= -0.058084 Density= 0.036203 ETOT(band)= -0.038127 trlgG= -0.047252 logG= -0.008616 TDE= -0.056551 Density= 0.214589 ETOT(band)= -0.234086 trlgG= -0.294159 logG= -0.058084 TDE= -0.342264 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010381 tlogG= -0.047327 logG= -0.057708 Density= 0.214320 ETOT(band)= -0.233957 trlgG= -0.293327 logG= -0.057708 TDE= -0.341675 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010152 tlogG= -0.046432 logG= -0.056583 Density= 0.215269 ETOT(band)= -0.232938 trlgG= -0.291646 logG= -0.056583 TDE= -0.341589 logGD-logG0= -0.010638 tlogG= -0.048165 logG= -0.058804 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215478 ETOT(band)= -0.234135 trlgG= -0.295223 logG= -0.058804 TDE= -0.343048 logGD-logG0= -0.010505 tlogG= -0.047963 logG= -0.058469 Density= 0.215949 ETOT(band)= -0.233682 trlgG= -0.294694 logG= -0.058469 TDE= -0.343087 logGD-logG0= -0.010591 tlogG= -0.046899 logG= -0.057489 Density= 0.215483 ETOT(band)= -0.233329 trlgG= -0.293090 logG= -0.057489 TDE= -0.342232 logGD-logG0= -0.010560 tlogG= -0.047912 logG= -0.058472 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215821 ETOT(band)= -0.233754 trlgG= -0.294696 logG= -0.058472 TDE= -0.343023 logGD-logG0= -0.010548 tlogG= -0.047441 logG= -0.057989 Density= 0.215522 ETOT(band)= -0.233606 trlgG= -0.293890 logG= -0.057989 TDE= -0.342552 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009761 tlogG= -0.047244 logG= -0.057005 Density= 0.214534 ETOT(band)= -0.233524 trlgG= -0.292738 logG= -0.057005 TDE= -0.341896 logGD-logG0= -0.010063 tlogG= -0.047172 logG= -0.057235 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215205 ETOT(band)= -0.233339 trlgG= -0.292663 logG= -0.057235 TDE= -0.341923 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023214 logG= -0.027828 Density= 0.106766 ETOT(band)= -0.116616 trlgG= -0.145472 logG= -0.027828 TDE= -0.170477 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.021885 logG= -0.026865 Density= 0.108345 ETOT(band)= -0.115245 trlgG= -0.143515 logG= -0.026865 TDE= -0.170265 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004813 tlogG= -0.020999 logG= -0.025813 Density= 0.108731 ETOT(band)= -0.114291 trlgG= -0.141680 logG= -0.025813 TDE= -0.169673 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001402 tlogG= -0.008047 logG= -0.009449 Density= 0.035324 ETOT(band)= -0.039074 trlgG= -0.048972 logG= -0.009449 TDE= -0.057003 logGD-logG0= -0.005060 tlogG= -0.021828 logG= -0.026888 Density= 0.107813 ETOT(band)= -0.115532 trlgG= -0.143576 logG= -0.026888 TDE= -0.170039 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009996 tlogG= -0.043409 logG= -0.053405 Density= 0.216324 ETOT(band)= -0.230470 trlgG= -0.286510 logG= -0.053405 TDE= -0.340152 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004286 tlogG= -0.024140 logG= -0.028426 Density= 0.212238 ETOT(band)= -0.234365 trlgG= -0.293703 logG= -0.028426 TDE= -0.170985 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004475 tlogG= -0.023595 logG= -0.028070 Density= 0.212683 ETOT(band)= -0.233985 trlgG= -0.292756 logG= -0.028070 TDE= -0.170702 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022914 logG= -0.027869 Density= 0.214851 ETOT(band)= -0.232398 trlgG= -0.289714 logG= -0.027869 TDE= -0.170439 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.007591 logG= -0.009159 Density= 0.071516 ETOT(band)= -0.077347 trlgG= -0.096163 logG= -0.009159 TDE= -0.056740 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005310 logG= -0.006512 Density= 0.081574 ETOT(band)= -0.085688 trlgG= -0.106222 logG= -0.006512 TDE= -0.042463 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005067 tlogG= -0.021890 logG= -0.026956 Density= 0.216672 ETOT(band)= -0.230289 trlgG= -0.286515 logG= -0.026956 TDE= -0.170234 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004936 tlogG= -0.021216 logG= -0.026152 Density= 0.216393 ETOT(band)= -0.230041 trlgG= -0.285567 logG= -0.026152 TDE= -0.169808 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004419 tlogG= -0.023749 logG= -0.028168 Density= 0.213149 ETOT(band)= -0.233579 trlgG= -0.291783 logG= -0.028168 TDE= -0.170787 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001255 tlogG= -0.005750 logG= -0.007005 Density= 0.080656 ETOT(band)= -0.087396 trlgG= -0.109620 logG= -0.007005 TDE= -0.042748 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022449 logG= -0.027554 Density= 0.216417 ETOT(band)= -0.231286 trlgG= -0.288631 logG= -0.027554 TDE= -0.170574 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001269 tlogG= -0.005858 logG= -0.007128 Density= 0.080669 ETOT(band)= -0.087611 trlgG= -0.110175 logG= -0.007128 TDE= -0.042814 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005942 logG= -0.007216 Density= 0.080852 ETOT(band)= -0.087646 trlgG= -0.110373 logG= -0.007216 TDE= -0.042868 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001234 tlogG= -0.005622 logG= -0.006856 Density= 0.080857 ETOT(band)= -0.086968 trlgG= -0.108618 logG= -0.006856 TDE= -0.042672 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004725 tlogG= -0.024016 logG= -0.028742 Density= 0.214179 ETOT(band)= -0.234081 trlgG= -0.294151 logG= -0.028742 TDE= -0.171238 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.023846 logG= -0.028666 Density= 0.213634 ETOT(band)= -0.234142 trlgG= -0.293761 logG= -0.028666 TDE= -0.171056 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.023967 logG= -0.029030 Density= 0.214398 ETOT(band)= -0.234090 trlgG= -0.293934 logG= -0.029030 TDE= -0.171071 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023380 logG= -0.028018 Density= 0.214241 ETOT(band)= -0.233368 trlgG= -0.292358 logG= -0.028018 TDE= -0.170916 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005986 logG= -0.007259 Density= 0.081080 ETOT(band)= -0.087550 trlgG= -0.110426 logG= -0.007259 TDE= -0.042898 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001428 tlogG= -0.007968 logG= -0.009397 Density= 0.070888 ETOT(band)= -0.077947 trlgG= -0.097459 logG= -0.009397 TDE= -0.056964 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023810 logG= -0.029054 Density= 0.215389 ETOT(band)= -0.233760 trlgG= -0.294194 logG= -0.029054 TDE= -0.171433 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.024016 logG= -0.028773 Density= 0.321653 ETOT(band)= -0.351101 trlgG= -0.441371 logG= -0.028773 TDE= -0.171233 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.024012 logG= -0.029222 Density= 0.215740 ETOT(band)= -0.233854 trlgG= -0.294850 logG= -0.029222 TDE= -0.171585 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023492 logG= -0.028731 Density= 0.215269 ETOT(band)= -0.233325 trlgG= -0.292931 logG= -0.028731 TDE= -0.171176 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.047808 logG= -0.058185 Density= 0.324427 ETOT(band)= -0.349912 trlgG= -0.441060 logG= -0.058185 TDE= -0.343045 logGD-logG0= -0.010151 tlogG= -0.045648 logG= -0.055799 Density= 0.324119 ETOT(band)= -0.347945 trlgG= -0.435008 logG= -0.055799 TDE= -0.341472 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.047257 logG= -0.057680 logGD-logG0= -0.005174 tlogG= -0.024010 logG= -0.029184 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324209 ETOT(band)= -0.349544 trlgG= -0.439712 logG= -0.057680 TDE= -0.342653 Density= 0.216406 ETOT(band)= -0.233338 trlgG= -0.294375 logG= -0.029184 TDE= -0.171603 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.024133 logG= -0.029436 logGD-logG0= -0.005030 tlogG= -0.024172 logG= -0.029202 Density= 0.215772 ETOT(band)= -0.234010 trlgG= -0.295265 logG= -0.029436 TDE= -0.171618 Density= 0.322525 ETOT(band)= -0.351216 trlgG= -0.442052 logG= -0.029202 TDE= -0.171238 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023377 logG= -0.028047 Density= 0.321721 ETOT(band)= -0.350053 trlgG= -0.438795 logG= -0.028047 TDE= -0.170908 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.023854 logG= -0.028916 logGD-logG0= -0.010421 tlogG= -0.046436 logG= -0.056857 Density= 0.324073 ETOT(band)= -0.348888 trlgG= -0.437626 logG= -0.056857 TDE= -0.342096 Density= 0.215550 ETOT(band)= -0.233756 trlgG= -0.294299 logG= -0.028916 TDE= -0.171121 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.023773 logG= -0.028959 Density= 0.216329 ETOT(band)= -0.233036 trlgG= -0.293438 logG= -0.028959 TDE= -0.171435 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004564 tlogG= -0.023981 logG= -0.028545 Density= 0.212872 ETOT(band)= -0.234264 trlgG= -0.293504 logG= -0.028545 TDE= -0.170838 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.006877 logG= -0.008455 Density= 0.040856 ETOT(band)= -0.042674 trlgG= -0.052804 logG= -0.008455 TDE= -0.056465 logGD-logG0= -0.005004 tlogG= -0.024167 logG= -0.029170 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214798 ETOT(band)= -0.234163 trlgG= -0.294550 logG= -0.029170 TDE= -0.171243 logGD-logG0= -0.005336 tlogG= -0.023968 logG= -0.029304 Density= 0.323741 ETOT(band)= -0.350655 trlgG= -0.442147 logG= -0.029304 TDE= -0.171490 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001221 tlogG= -0.005471 logG= -0.006692 Density= 0.081217 ETOT(band)= -0.086356 trlgG= -0.107381 logG= -0.006692 TDE= -0.042574 logGD-logG0= -0.005193 tlogG= -0.023426 logG= -0.028619 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216248 ETOT(band)= -0.232656 trlgG= -0.292231 logG= -0.028619 TDE= -0.171196 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009611 tlogG= -0.047859 logG= -0.057470 Density= 0.428155 ETOT(band)= -0.468145 trlgG= -0.587887 logG= -0.057470 TDE= -0.342280 logGD-logG0= -0.005166 tlogG= -0.022979 logG= -0.028144 Density= 0.216274 ETOT(band)= -0.232083 trlgG= -0.290616 logG= -0.028144 TDE= -0.170909 logGD-logG0= -0.004589 tlogG= -0.023899 logG= -0.028488 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.023967 logG= -0.029134 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216439 ETOT(band)= -0.233234 trlgG= -0.294142 logG= -0.029134 TDE= -0.171576 logGD-logG0= -0.010662 tlogG= -0.048061 logG= -0.058722 Density= 0.323328 ETOT(band)= -0.350981 trlgG= -0.442401 logG= -0.058722 TDE= -0.343038 Density= 0.213343 ETOT(band)= -0.233855 trlgG= -0.292512 logG= -0.028488 TDE= -0.170790 logGD-logG0= -0.004768 tlogG= -0.023254 logG= -0.028023 Density= 0.213559 ETOT(band)= -0.233609 trlgG= -0.292244 logG= -0.028023 TDE= -0.170752 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009475 tlogG= -0.046627 logG= -0.056101 logGD-logG0= -0.004904 tlogG= -0.023891 logG= -0.028795 logGD-logG0= -0.005351 tlogG= -0.023909 logG= -0.029260 logGD-logG0= -0.010115 tlogG= -0.048168 logG= -0.058283 Density= 0.428213 ETOT(band)= -0.466842 trlgG= -0.584494 logG= -0.056101 TDE= -0.341650 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215699 ETOT(band)= -0.233757 trlgG= -0.294577 logG= -0.029260 TDE= -0.171441 logGD-logG0= -0.010226 tlogG= -0.047687 logG= -0.057913 Density= 0.428408 ETOT(band)= -0.468129 trlgG= -0.587220 logG= -0.057913 TDE= -0.341921 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429415 ETOT(band)= -0.468259 trlgG= -0.588661 logG= -0.058283 TDE= -0.342327 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213848 ETOT(band)= -0.234004 trlgG= -0.293025 logG= -0.028795 TDE= -0.170800 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.023254 logG= -0.028270 Density= 0.321788 ETOT(band)= -0.350560 trlgG= -0.439647 logG= -0.028270 TDE= -0.170862 logGD-logG0= -0.010728 tlogG= -0.047715 logG= -0.058443 Density= 0.431199 ETOT(band)= -0.467464 trlgG= -0.588752 logG= -0.058443 TDE= -0.342791 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009656 tlogG= -0.046624 logG= -0.056280 Density= 0.322786 ETOT(band)= -0.349010 trlgG= -0.436439 logG= -0.056280 TDE= -0.341624 logGD-logG0= -0.005235 tlogG= -0.024093 logG= -0.029328 Density= 0.323144 ETOT(band)= -0.351189 trlgG= -0.442704 logG= -0.029328 TDE= -0.171431 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023203 logG= -0.028360 Density= 0.214923 ETOT(band)= -0.232952 trlgG= -0.291244 logG= -0.028360 TDE= -0.170626 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010288 tlogG= -0.046950 logG= -0.057238 Density= 0.429989 ETOT(band)= -0.466469 trlgG= -0.584266 logG= -0.057238 TDE= -0.341636 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009422 tlogG= -0.046730 logG= -0.056152 logGD-logG0= -0.008930 tlogG= -0.048113 logG= -0.057043 Density= 0.425661 ETOT(band)= -0.468326 trlgG= -0.586496 logG= -0.057043 TDE= -0.341793 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428009 ETOT(band)= -0.466121 trlgG= -0.581888 logG= -0.056152 TDE= -0.341234 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.022336 logG= -0.027118 Density= 0.215082 ETOT(band)= -0.231951 trlgG= -0.289115 logG= -0.027118 TDE= -0.170261 logGD-logG0= -0.005422 tlogG= -0.023364 logG= -0.028786 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010687 tlogG= -0.047287 logG= -0.057975 Density= 0.430589 ETOT(band)= -0.467095 trlgG= -0.586920 logG= -0.057975 TDE= -0.342300 Density= 0.215162 ETOT(band)= -0.233351 trlgG= -0.292739 logG= -0.028786 TDE= -0.170970 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010284 tlogG= -0.047976 logG= -0.058260 Density= 0.429318 ETOT(band)= -0.468221 trlgG= -0.588307 logG= -0.058260 TDE= -0.342167 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010249 tlogG= -0.048241 logG= -0.058489 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430148 ETOT(band)= -0.468265 trlgG= -0.589431 logG= -0.058489 TDE= -0.342542 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010459 tlogG= -0.048090 logG= -0.058549 Density= 0.430254 ETOT(band)= -0.468095 trlgG= -0.589104 logG= -0.058549 TDE= -0.342668 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004895 tlogG= -0.021312 logG= -0.026206 Density= 0.162683 ETOT(band)= -0.172988 trlgG= -0.215939 logG= -0.026206 TDE= -0.169889 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009622 tlogG= -0.047667 logG= -0.057289 logGD-logG0= -0.004822 tlogG= -0.022337 logG= -0.027159 Density= 0.426795 ETOT(band)= -0.468356 trlgG= -0.587018 logG= -0.057289 TDE= -0.341812 Density= 0.322951 ETOT(band)= -0.347980 trlgG= -0.434051 logG= -0.027159 TDE= -0.170255 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009576 tlogG= -0.047786 logG= -0.057362 logGD-logG0= -0.010628 tlogG= -0.047748 logG= -0.058376 Density= 0.427296 ETOT(band)= -0.467907 trlgG= -0.585871 logG= -0.057362 TDE= -0.341514 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430859 ETOT(band)= -0.467520 trlgG= -0.588391 logG= -0.058376 TDE= -0.342684 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009788 tlogG= -0.047873 logG= -0.057661 Density= 0.429250 ETOT(band)= -0.467923 trlgG= -0.587862 logG= -0.057661 TDE= -0.342267 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010652 tlogG= -0.048040 logG= -0.058692 logGD-logG0= -0.009904 tlogG= -0.046420 logG= -0.056324 Density= 0.429641 ETOT(band)= -0.465553 trlgG= -0.581567 logG= -0.056324 TDE= -0.341345 Density= 0.431439 ETOT(band)= -0.467746 trlgG= -0.589745 logG= -0.058692 TDE= -0.343056 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009968 tlogG= -0.047579 logG= -0.057547 Density= 0.428723 ETOT(band)= -0.467475 trlgG= -0.586260 logG= -0.057547 TDE= -0.341966 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005399 tlogG= -0.023695 logG= -0.029094 logGD-logG0= -0.010212 tlogG= -0.047589 logG= -0.057801 Density= 0.215462 ETOT(band)= -0.233609 trlgG= -0.293879 logG= -0.029094 TDE= -0.171264 Density= 0.430119 ETOT(band)= -0.467116 trlgG= -0.586195 logG= -0.057801 TDE= -0.342081 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009942 tlogG= -0.044641 logG= -0.054583 Density= 0.324359 ETOT(band)= -0.346677 trlgG= -0.431998 logG= -0.054583 TDE= -0.340794 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.007120 logG= -0.008809 Density= 0.072245 ETOT(band)= -0.076480 trlgG= -0.094851 logG= -0.008809 TDE= -0.056626 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004935 tlogG= -0.022302 logG= -0.027236 Density= 0.214317 ETOT(band)= -0.232438 trlgG= -0.289466 logG= -0.027236 TDE= -0.170174 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004904 tlogG= -0.022482 logG= -0.027386 Density= 0.215076 ETOT(band)= -0.231663 trlgG= -0.288071 logG= -0.027386 TDE= -0.170188 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001184 tlogG= -0.005174 logG= -0.006357 Density= 0.062557 ETOT(band)= -0.067544 trlgG= -0.084215 logG= -0.006357 TDE= -0.042361 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004977 tlogG= -0.021361 logG= -0.026339 Density= 0.217064 ETOT(band)= -0.229182 trlgG= -0.284312 logG= -0.026339 TDE= -0.169902 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009790 tlogG= -0.044644 logG= -0.054434 Density= 0.431706 ETOT(band)= -0.462085 trlgG= -0.574792 logG= -0.054434 TDE= -0.340430 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.816207122329 eV TrLogG= -407.340799287110 eV Ratio to renormalize= 0.999774202037 rho-rho_expected= 0.004968677105 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 60) Finished k-point number 122 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964653293996615 0.940397289923872 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002328 tlogG= -0.011452 logG= -0.013780 Density= 0.053749 ETOT(band)= -0.058066 trlgG= -0.072501 logG= -0.013780 TDE= -0.085319 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004536 tlogG= -0.024053 logG= -0.028589 logGD-logG0= -0.005088 tlogG= -0.023224 logG= -0.028313 Density= 0.108216 ETOT(band)= -0.116196 trlgG= -0.145869 logG= -0.028313 TDE= -0.171107 logGD-logG0= -0.005279 tlogG= -0.023692 logG= -0.028970 Density= 0.107258 ETOT(band)= -0.116994 trlgG= -0.146846 logG= -0.028970 TDE= -0.170952 Density= 0.106419 ETOT(band)= -0.117142 trlgG= -0.146794 logG= -0.028589 TDE= -0.170866 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.022743 logG= -0.027766 Density= 0.108270 ETOT(band)= -0.115867 trlgG= -0.145003 logG= -0.027766 TDE= -0.170814 logGD-logG0= -0.004991 tlogG= -0.023650 logG= -0.028641 Density= 0.107006 ETOT(band)= -0.116922 trlgG= -0.146295 logG= -0.028641 TDE= -0.170606 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004700 tlogG= -0.023695 logG= -0.028394 Density= 0.107004 ETOT(band)= -0.116833 trlgG= -0.146485 logG= -0.028394 TDE= -0.171041 logGD-logG0= -0.005103 tlogG= -0.022883 logG= -0.027986 Density= 0.107641 ETOT(band)= -0.116290 trlgG= -0.145340 logG= -0.027986 TDE= -0.170620 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004544 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004340 tlogG= -0.023981 logG= -0.028321 Density= 0.106201 ETOT(band)= -0.117110 trlgG= -0.146671 logG= -0.028321 TDE= -0.170903 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002598 tlogG= -0.012036 logG= -0.014635 logGD-logG0= -0.004614 tlogG= -0.023213 logG= -0.027827 Density= 0.053776 ETOT(band)= -0.058530 trlgG= -0.073685 logG= -0.014635 TDE= -0.085661 Density= 0.106765 ETOT(band)= -0.116612 trlgG= -0.145466 logG= -0.027827 TDE= -0.170472 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.022416 logG= -0.027421 logGD-logG0= -0.002416 tlogG= -0.012086 logG= -0.014502 Density= 0.053598 ETOT(band)= -0.058541 trlgG= -0.073627 logG= -0.014502 TDE= -0.085647 Density= 0.107659 ETOT(band)= -0.115956 trlgG= -0.144445 logG= -0.027421 TDE= -0.170299 logGD-logG0= -0.001483 tlogG= -0.007814 logG= -0.009297 Density= 0.035502 ETOT(band)= -0.038922 trlgG= -0.048606 logG= -0.009297 TDE= -0.056878 logGD-logG0= -0.004727 tlogG= -0.023507 logG= -0.028234 Density= 0.106802 ETOT(band)= -0.116803 trlgG= -0.145950 logG= -0.028234 TDE= -0.170567 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002321 tlogG= -0.011887 logG= -0.014208 Density= 0.053575 ETOT(band)= -0.058397 trlgG= -0.073265 logG= -0.014208 TDE= -0.085568 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001402 tlogG= -0.008047 logG= -0.009449 Density= 0.035324 ETOT(band)= -0.039072 trlgG= -0.048970 logG= -0.009449 TDE= -0.057001 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.022466 logG= -0.027494 logGD-logG0= -0.005142 tlogG= -0.023772 logG= -0.028915 Density= 0.108200 ETOT(band)= -0.116535 trlgG= -0.146824 logG= -0.028915 TDE= -0.171452 Density= 0.108225 ETOT(band)= -0.115730 trlgG= -0.144567 logG= -0.027494 TDE= -0.170628 logGD-logG0= -0.004313 tlogG= -0.024058 logG= -0.028371 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106149 ETOT(band)= -0.117153 trlgG= -0.146784 logG= -0.028371 TDE= -0.170941 logGD-logG0= -0.002555 tlogG= -0.011988 logG= -0.014543 Density= 0.054149 ETOT(band)= -0.058293 trlgG= -0.073549 logG= -0.014543 TDE= -0.085801 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023959 logG= -0.029088 Density= 0.108251 ETOT(band)= -0.116610 trlgG= -0.147102 logG= -0.029088 TDE= -0.171582 logGD-logG0= -0.004945 tlogG= -0.022178 logG= -0.027124 Density= 0.108380 ETOT(band)= -0.115425 trlgG= -0.143959 logG= -0.027124 TDE= -0.170467 logGD-logG0= -0.002624 tlogG= -0.011992 logG= -0.014616 Density= 0.053995 ETOT(band)= -0.058413 trlgG= -0.073669 logG= -0.014616 TDE= -0.085773 logGD-logG0= -0.005271 tlogG= -0.024079 logG= -0.029350 Density= 0.107668 ETOT(band)= -0.117061 trlgG= -0.147515 logG= -0.029350 TDE= -0.171444 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.022991 logG= -0.028087 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108157 ETOT(band)= -0.116103 trlgG= -0.145514 logG= -0.028087 TDE= -0.170948 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023439 logG= -0.028577 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108153 ETOT(band)= -0.116373 trlgG= -0.146288 logG= -0.028577 TDE= -0.171231 logGD-logG0= -0.005119 tlogG= -0.023614 logG= -0.028733 logGD-logG0= -0.005116 tlogG= -0.023880 logG= -0.028997 Density= 0.108272 ETOT(band)= -0.116546 trlgG= -0.146953 logG= -0.028997 TDE= -0.171535 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001621 tlogG= -0.006995 logG= -0.008616 Density= 0.036203 ETOT(band)= -0.038125 trlgG= -0.047250 logG= -0.008616 TDE= -0.056549 Density= 0.108226 ETOT(band)= -0.116420 trlgG= -0.146533 logG= -0.028733 TDE= -0.171355 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.024096 logG= -0.029376 logGD-logG0= -0.004701 tlogG= -0.022997 logG= -0.027698 Density= 0.107912 ETOT(band)= -0.116969 trlgG= -0.147580 logG= -0.029376 TDE= -0.171604 Density= 0.106900 ETOT(band)= -0.116481 trlgG= -0.145204 logG= -0.027698 TDE= -0.170406 logGD-logG0= -0.004671 tlogG= -0.023676 logG= -0.028347 Density= 0.106627 ETOT(band)= -0.116949 trlgG= -0.146379 logG= -0.028347 TDE= -0.170796 logGD-logG0= -0.005222 tlogG= -0.023975 logG= -0.029196 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007307 logG= -0.008995 Density= 0.035852 ETOT(band)= -0.038574 trlgG= -0.047910 logG= -0.008995 TDE= -0.056657 Density= 0.107470 ETOT(band)= -0.117046 trlgG= -0.147241 logG= -0.029196 TDE= -0.171226 logGD-logG0= -0.005312 tlogG= -0.024142 logG= -0.029455 Density= 0.107835 ETOT(band)= -0.117057 trlgG= -0.147705 logG= -0.029455 TDE= -0.171612 logGD-logG0= -0.005304 tlogG= -0.023910 logG= -0.029214 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107776 ETOT(band)= -0.116927 trlgG= -0.147300 logG= -0.029214 TDE= -0.171419 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.023900 logG= -0.028796 logGD-logG0= -0.004873 tlogG= -0.024077 logG= -0.028949 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107084 ETOT(band)= -0.117086 trlgG= -0.147162 logG= -0.028949 TDE= -0.171203 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106786 ETOT(band)= -0.117104 trlgG= -0.146906 logG= -0.028796 TDE= -0.170954 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.022858 logG= -0.027714 Density= 0.107772 ETOT(band)= -0.116085 trlgG= -0.144929 logG= -0.027714 TDE= -0.170546 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.024101 logG= -0.029086 Density= 0.107406 ETOT(band)= -0.117025 trlgG= -0.147136 logG= -0.029086 TDE= -0.171200 logGD-logG0= -0.005295 tlogG= -0.023204 logG= -0.028498 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107708 ETOT(band)= -0.116538 trlgG= -0.146150 logG= -0.028498 TDE= -0.170951 logGD-logG0= -0.004822 tlogG= -0.023696 logG= -0.028518 Density= 0.107404 ETOT(band)= -0.116715 trlgG= -0.146395 logG= -0.028518 TDE= -0.171026 logGD-logG0= -0.004733 tlogG= -0.022860 logG= -0.027593 Density= 0.107323 ETOT(band)= -0.116229 trlgG= -0.145054 logG= -0.027593 TDE= -0.170570 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023879 logG= -0.029145 Density= 0.107940 ETOT(band)= -0.116796 trlgG= -0.147195 logG= -0.029145 TDE= -0.171464 logGD-logG0= -0.009767 tlogG= -0.048260 logG= -0.058027 Density= 0.214456 ETOT(band)= -0.234131 trlgG= -0.294399 logG= -0.058027 TDE= -0.342495 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023588 logG= -0.028892 logGD-logG0= -0.002398 tlogG= -0.010430 logG= -0.012829 Density= 0.107824 ETOT(band)= -0.116699 trlgG= -0.146779 logG= -0.028892 TDE= -0.171244 logGD-logG0= -0.005255 tlogG= -0.024067 logG= -0.029322 logGD-logG0= -0.009734 tlogG= -0.045607 logG= -0.055341 Density= 0.214417 ETOT(band)= -0.232641 trlgG= -0.290186 logG= -0.055341 TDE= -0.340949 logGD-logG0= -0.009455 tlogG= -0.045777 logG= -0.055232 Density= 0.107971 ETOT(band)= -0.116902 trlgG= -0.147491 logG= -0.029322 TDE= -0.171599 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215069 ETOT(band)= -0.232292 trlgG= -0.290010 logG= -0.055232 TDE= -0.341205 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054388 ETOT(band)= -0.057071 trlgG= -0.070698 logG= -0.012829 TDE= -0.084783 logGD-logG0= -0.009633 tlogG= -0.047176 logG= -0.056809 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213824 ETOT(band)= -0.233723 trlgG= -0.292822 logG= -0.056809 TDE= -0.341823 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009092 tlogG= -0.047646 logG= -0.056738 logGD-logG0= -0.009913 tlogG= -0.047917 logG= -0.057829 Density= 0.214025 ETOT(band)= -0.234168 trlgG= -0.294086 logG= -0.057829 TDE= -0.342167 Density= 0.212986 ETOT(band)= -0.234020 trlgG= -0.292890 logG= -0.056738 TDE= -0.341549 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009521 tlogG= -0.047945 logG= -0.057467 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213332 ETOT(band)= -0.234230 trlgG= -0.293536 logG= -0.057467 TDE= -0.341636 logGD-logG0= -0.010445 tlogG= -0.048098 logG= -0.058543 logGD-logG0= -0.010490 tlogG= -0.047763 logG= -0.058253 Density= 0.214811 ETOT(band)= -0.234056 trlgG= -0.294235 logG= -0.058253 TDE= -0.342281 Density= 0.215123 ETOT(band)= -0.234110 trlgG= -0.294747 logG= -0.058543 TDE= -0.342658 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009796 tlogG= -0.047170 logG= -0.056965 Density= 0.213835 ETOT(band)= -0.233768 trlgG= -0.292614 logG= -0.056965 TDE= -0.341465 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010526 tlogG= -0.048032 logG= -0.058558 Density= 0.215160 ETOT(band)= -0.234101 trlgG= -0.294774 logG= -0.058558 TDE= -0.342688 logGD-logG0= -0.009406 tlogG= -0.047464 logG= -0.056870 Density= 0.214366 ETOT(band)= -0.233555 trlgG= -0.292953 logG= -0.056870 TDE= -0.342162 logGD-logG0= -0.010293 tlogG= -0.047996 logG= -0.058290 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215126 ETOT(band)= -0.233965 trlgG= -0.294330 logG= -0.058290 TDE= -0.342496 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010037 tlogG= -0.048045 logG= -0.058082 logGD-logG0= -0.009840 tlogG= -0.045666 logG= -0.055506 logGD-logG0= -0.010354 tlogG= -0.047803 logG= -0.058157 Density= 0.214710 ETOT(band)= -0.234049 trlgG= -0.294066 logG= -0.058157 TDE= -0.342158 Density= 0.215200 ETOT(band)= -0.232368 trlgG= -0.290002 logG= -0.055506 TDE= -0.340988 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214586 ETOT(band)= -0.234078 trlgG= -0.294148 logG= -0.058082 TDE= -0.342254 logGD-logG0= -0.010382 tlogG= -0.047324 logG= -0.057706 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.047547 logG= -0.058129 Density= 0.215750 ETOT(band)= -0.233558 trlgG= -0.294121 logG= -0.058129 TDE= -0.342756 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214317 ETOT(band)= -0.233949 trlgG= -0.293316 logG= -0.057706 TDE= -0.341664 logGD-logG0= -0.010154 tlogG= -0.047676 logG= -0.057830 Density= 0.214006 ETOT(band)= -0.234155 trlgG= -0.293838 logG= -0.057830 TDE= -0.341909 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.048162 logG= -0.058802 Density= 0.215475 ETOT(band)= -0.234127 trlgG= -0.295212 logG= -0.058802 TDE= -0.343038 logGD-logG0= -0.010508 tlogG= -0.047960 logG= -0.058467 Density= 0.215945 ETOT(band)= -0.233675 trlgG= -0.294683 logG= -0.058467 TDE= -0.343077 logGD-logG0= -0.010549 tlogG= -0.047438 logG= -0.057988 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215518 ETOT(band)= -0.233598 trlgG= -0.293880 logG= -0.057988 TDE= -0.342541 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010592 tlogG= -0.046896 logG= -0.057488 Density= 0.215480 ETOT(band)= -0.233322 trlgG= -0.293079 logG= -0.057488 TDE= -0.342222 logGD-logG0= -0.010562 tlogG= -0.047908 logG= -0.058470 Density= 0.215818 ETOT(band)= -0.233747 trlgG= -0.294685 logG= -0.058470 TDE= -0.343012 logGD-logG0= -0.002459 tlogG= -0.010845 logG= -0.013304 logGD-logG0= -0.010153 tlogG= -0.046429 logG= -0.056582 Density= 0.054074 ETOT(band)= -0.057587 trlgG= -0.071544 logG= -0.013304 TDE= -0.084998 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215266 ETOT(band)= -0.232931 trlgG= -0.291636 logG= -0.056582 TDE= -0.341579 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009762 tlogG= -0.047241 logG= -0.057003 Density= 0.214531 ETOT(band)= -0.233517 trlgG= -0.292728 logG= -0.057003 TDE= -0.341886 logGD-logG0= -0.010064 tlogG= -0.047169 logG= -0.057233 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215202 ETOT(band)= -0.233332 trlgG= -0.292653 logG= -0.057233 TDE= -0.341913 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.021703 logG= -0.026704 Density= 0.107955 ETOT(band)= -0.115336 trlgG= -0.143261 logG= -0.026704 TDE= -0.169978 logGD-logG0= -0.004980 tlogG= -0.021884 logG= -0.026864 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108344 ETOT(band)= -0.115241 trlgG= -0.143511 logG= -0.026864 TDE= -0.170260 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004814 tlogG= -0.020998 logG= -0.025812 Density= 0.108729 ETOT(band)= -0.114287 trlgG= -0.141675 logG= -0.025812 TDE= -0.169668 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009998 tlogG= -0.043406 logG= -0.053404 Density= 0.216321 ETOT(band)= -0.230463 trlgG= -0.286500 logG= -0.053404 TDE= -0.340142 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004895 tlogG= -0.021573 logG= -0.026468 Density= 0.108533 ETOT(band)= -0.114875 trlgG= -0.142831 logG= -0.026468 TDE= -0.170071 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.021826 logG= -0.026887 Density= 0.107812 ETOT(band)= -0.115529 trlgG= -0.143570 logG= -0.026887 TDE= -0.170034 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001234 tlogG= -0.005622 logG= -0.006856 Density= 0.080856 ETOT(band)= -0.086965 trlgG= -0.108614 logG= -0.006856 TDE= -0.042671 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023424 logG= -0.028618 Density= 0.216245 ETOT(band)= -0.232649 trlgG= -0.292221 logG= -0.028618 TDE= -0.171191 logGD-logG0= -0.005064 tlogG= -0.023965 logG= -0.029029 Density= 0.214395 ETOT(band)= -0.234082 trlgG= -0.293923 logG= -0.029029 TDE= -0.171065 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.022977 logG= -0.028144 Density= 0.216271 ETOT(band)= -0.232076 trlgG= -0.290605 logG= -0.028144 TDE= -0.170904 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.023890 logG= -0.028794 Density= 0.213845 ETOT(band)= -0.233996 trlgG= -0.293014 logG= -0.028794 TDE= -0.170795 logGD-logG0= -0.004564 tlogG= -0.023980 logG= -0.028544 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212870 ETOT(band)= -0.234255 trlgG= -0.293493 logG= -0.028544 TDE= -0.170833 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023379 logG= -0.028017 Density= 0.214239 ETOT(band)= -0.233360 trlgG= -0.292347 logG= -0.028017 TDE= -0.170910 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023202 logG= -0.028359 Density= 0.214920 ETOT(band)= -0.232944 trlgG= -0.291233 logG= -0.028359 TDE= -0.170621 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004420 tlogG= -0.023747 logG= -0.028167 logGD-logG0= -0.004476 tlogG= -0.023594 logG= -0.028069 Density= 0.212681 ETOT(band)= -0.233977 trlgG= -0.292745 logG= -0.028069 TDE= -0.170697 Density= 0.213147 ETOT(band)= -0.233571 trlgG= -0.291772 logG= -0.028167 TDE= -0.170781 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023897 logG= -0.028487 Density= 0.213341 ETOT(band)= -0.233847 trlgG= -0.292501 logG= -0.028487 TDE= -0.170785 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005941 logG= -0.007215 logGD-logG0= -0.001270 tlogG= -0.005858 logG= -0.007127 Density= 0.080668 ETOT(band)= -0.087608 trlgG= -0.110171 logG= -0.007127 TDE= -0.042812 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080851 ETOT(band)= -0.087644 trlgG= -0.110369 logG= -0.007215 TDE= -0.042867 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.006877 logG= -0.008455 Density= 0.040855 ETOT(band)= -0.042673 trlgG= -0.052802 logG= -0.008455 TDE= -0.056464 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001255 tlogG= -0.005750 logG= -0.007005 Density= 0.080655 ETOT(band)= -0.087393 trlgG= -0.109616 logG= -0.007005 TDE= -0.042747 logGD-logG0= -0.004955 tlogG= -0.022912 logG= -0.027868 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214849 ETOT(band)= -0.232390 trlgG= -0.289703 logG= -0.027868 TDE= -0.170434 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005986 logG= -0.007259 Density= 0.081079 ETOT(band)= -0.087547 trlgG= -0.110422 logG= -0.007259 TDE= -0.042897 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.007591 logG= -0.009159 Density= 0.071515 ETOT(band)= -0.077344 trlgG= -0.096160 logG= -0.009159 TDE= -0.056738 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.024010 logG= -0.029221 Density= 0.215736 ETOT(band)= -0.233847 trlgG= -0.294839 logG= -0.029221 TDE= -0.171580 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001429 tlogG= -0.007968 logG= -0.009396 Density= 0.070887 ETOT(band)= -0.077944 trlgG= -0.097455 logG= -0.009396 TDE= -0.056963 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.024008 logG= -0.029183 Density= 0.216402 ETOT(band)= -0.233331 trlgG= -0.294364 logG= -0.029183 TDE= -0.171598 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004759 tlogG= -0.024014 logG= -0.028772 Density= 0.321648 ETOT(band)= -0.351089 trlgG= -0.441354 logG= -0.028772 TDE= -0.171228 logGD-logG0= -0.004286 tlogG= -0.024139 logG= -0.028425 Density= 0.212236 ETOT(band)= -0.234357 trlgG= -0.293691 logG= -0.028425 TDE= -0.170980 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.024131 logG= -0.029435 Density= 0.215769 ETOT(band)= -0.234003 trlgG= -0.295254 logG= -0.029435 TDE= -0.171612 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005245 tlogG= -0.023808 logG= -0.029053 Density= 0.215385 ETOT(band)= -0.233752 trlgG= -0.294183 logG= -0.029053 TDE= -0.171428 logGD-logG0= -0.005239 tlogG= -0.023490 logG= -0.028730 logGD-logG0= -0.005062 tlogG= -0.023853 logG= -0.028915 Density= 0.215546 ETOT(band)= -0.233748 trlgG= -0.294288 logG= -0.028915 TDE= -0.171115 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215266 ETOT(band)= -0.233317 trlgG= -0.292920 logG= -0.028730 TDE= -0.171171 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005106 tlogG= -0.022448 logG= -0.027554 logGD-logG0= -0.010379 tlogG= -0.047804 logG= -0.058183 Density= 0.324422 ETOT(band)= -0.349901 trlgG= -0.441045 logG= -0.058183 TDE= -0.343035 Density= 0.216415 ETOT(band)= -0.231279 trlgG= -0.288621 logG= -0.027554 TDE= -0.170569 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023965 logG= -0.029133 Density= 0.216436 ETOT(band)= -0.233227 trlgG= -0.294132 logG= -0.029133 TDE= -0.171571 logGD-logG0= -0.005030 tlogG= -0.024170 logG= -0.029201 Density= 0.322520 ETOT(band)= -0.351204 trlgG= -0.442035 logG= -0.029201 TDE= -0.171233 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023375 logG= -0.028046 Density= 0.321718 ETOT(band)= -0.350042 trlgG= -0.438779 logG= -0.028046 TDE= -0.170902 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005188 tlogG= -0.023771 logG= -0.028959 Density= 0.216325 ETOT(band)= -0.233029 trlgG= -0.293428 logG= -0.028959 TDE= -0.171430 logGD-logG0= -0.010152 tlogG= -0.045646 logG= -0.055797 Density= 0.324114 ETOT(band)= -0.347934 trlgG= -0.434993 logG= -0.055797 TDE= -0.341462 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024165 logG= -0.029169 Density= 0.214795 ETOT(band)= -0.234155 trlgG= -0.294539 logG= -0.029169 TDE= -0.171238 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023253 logG= -0.028022 logGD-logG0= -0.004726 tlogG= -0.024015 logG= -0.028741 Density= 0.213557 ETOT(band)= -0.233601 trlgG= -0.292233 logG= -0.028022 TDE= -0.170747 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214177 ETOT(band)= -0.234073 trlgG= -0.294140 logG= -0.028741 TDE= -0.171232 logGD-logG0= -0.001184 tlogG= -0.005173 logG= -0.006357 Density= 0.062556 ETOT(band)= -0.067541 trlgG= -0.084211 logG= -0.006357 TDE= -0.042360 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023907 logG= -0.029259 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215696 ETOT(band)= -0.233750 trlgG= -0.294567 logG= -0.029259 TDE= -0.171436 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010663 tlogG= -0.048057 logG= -0.058721 Density= 0.323323 ETOT(band)= -0.350970 trlgG= -0.442385 logG= -0.058721 TDE= -0.343028 logGD-logG0= -0.005017 tlogG= -0.023252 logG= -0.028269 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.023844 logG= -0.028665 Density= 0.321784 ETOT(band)= -0.350548 trlgG= -0.439630 logG= -0.028269 TDE= -0.170857 Density= 0.213631 ETOT(band)= -0.234134 trlgG= -0.293749 logG= -0.028665 TDE= -0.171051 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.024092 logG= -0.029328 Density= 0.323139 ETOT(band)= -0.351178 trlgG= -0.442688 logG= -0.029328 TDE= -0.171426 logGD-logG0= -0.001689 tlogG= -0.007120 logG= -0.008809 Density= 0.072244 ETOT(band)= -0.076478 trlgG= -0.094848 logG= -0.008809 TDE= -0.056624 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010425 tlogG= -0.047253 logG= -0.057678 logGD-logG0= -0.010423 tlogG= -0.046432 logG= -0.056855 Density= 0.324068 ETOT(band)= -0.348877 trlgG= -0.437611 logG= -0.056855 TDE= -0.342086 logGD-logG0= -0.009657 tlogG= -0.046621 logG= -0.056278 Density= 0.324204 ETOT(band)= -0.349534 trlgG= -0.439696 logG= -0.057678 TDE= -0.342643 Density= 0.322782 ETOT(band)= -0.348999 trlgG= -0.436423 logG= -0.056278 TDE= -0.341614 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005337 tlogG= -0.023966 logG= -0.029303 Density= 0.323736 ETOT(band)= -0.350644 trlgG= -0.442131 logG= -0.029303 TDE= -0.171484 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009423 tlogG= -0.046727 logG= -0.056150 Density= 0.428004 ETOT(band)= -0.466105 trlgG= -0.581866 logG= -0.056150 TDE= -0.341224 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009613 tlogG= -0.047855 logG= -0.057468 Density= 0.428150 ETOT(band)= -0.468129 trlgG= -0.587865 logG= -0.057468 TDE= -0.342270 logGD-logG0= -0.005400 tlogG= -0.023693 logG= -0.029093 Density= 0.215459 ETOT(band)= -0.233601 trlgG= -0.293868 logG= -0.029093 TDE= -0.171259 logGD-logG0= -0.005422 tlogG= -0.023363 logG= -0.028785 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215159 ETOT(band)= -0.233343 trlgG= -0.292728 logG= -0.028785 TDE= -0.170965 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008931 tlogG= -0.048110 logG= -0.057041 Density= 0.425657 ETOT(band)= -0.468310 trlgG= -0.586473 logG= -0.057041 TDE= -0.341782 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010116 tlogG= -0.048164 logG= -0.058281 logGD-logG0= -0.010227 tlogG= -0.047684 logG= -0.057911 Density= 0.428403 ETOT(band)= -0.468114 trlgG= -0.587197 logG= -0.057911 TDE= -0.341911 Density= 0.429409 ETOT(band)= -0.468244 trlgG= -0.588639 logG= -0.058281 TDE= -0.342317 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.048237 logG= -0.058487 Density= 0.430142 ETOT(band)= -0.468250 trlgG= -0.589409 logG= -0.058487 TDE= -0.342532 logGD-logG0= -0.010730 tlogG= -0.047711 logG= -0.058441 Density= 0.431193 ETOT(band)= -0.467449 trlgG= -0.588730 logG= -0.058441 TDE= -0.342781 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010629 tlogG= -0.047745 logG= -0.058374 Density= 0.430853 ETOT(band)= -0.467505 trlgG= -0.588370 logG= -0.058374 TDE= -0.342674 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010285 tlogG= -0.047973 logG= -0.058258 Density= 0.429312 ETOT(band)= -0.468206 trlgG= -0.588285 logG= -0.058258 TDE= -0.342157 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009476 tlogG= -0.046623 logG= -0.056099 logGD-logG0= -0.010460 tlogG= -0.048087 logG= -0.058547 Density= 0.430248 ETOT(band)= -0.468080 trlgG= -0.589082 logG= -0.058547 TDE= -0.342657 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428209 ETOT(band)= -0.466827 trlgG= -0.584472 logG= -0.056099 TDE= -0.341639 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.047869 logG= -0.057659 Density= 0.429244 ETOT(band)= -0.467908 trlgG= -0.587840 logG= -0.057659 TDE= -0.342257 logGD-logG0= -0.009623 tlogG= -0.047665 logG= -0.057287 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426790 ETOT(band)= -0.468340 trlgG= -0.586995 logG= -0.057287 TDE= -0.341801 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001202 tlogG= -0.005309 logG= -0.006511 Density= 0.081573 ETOT(band)= -0.085686 trlgG= -0.106219 logG= -0.006511 TDE= -0.042462 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009577 tlogG= -0.047784 logG= -0.057360 Density= 0.427292 ETOT(band)= -0.467891 trlgG= -0.585848 logG= -0.057360 TDE= -0.341503 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009905 tlogG= -0.046417 logG= -0.056322 Density= 0.429636 ETOT(band)= -0.465538 trlgG= -0.581545 logG= -0.056322 TDE= -0.341335 logGD-logG0= -0.010654 tlogG= -0.048036 logG= -0.058690 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431433 ETOT(band)= -0.467732 trlgG= -0.589724 logG= -0.058690 TDE= -0.343045 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001222 tlogG= -0.005470 logG= -0.006692 Density= 0.081216 ETOT(band)= -0.086353 trlgG= -0.107377 logG= -0.006692 TDE= -0.042573 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010289 tlogG= -0.046947 logG= -0.057236 Density= 0.429983 ETOT(band)= -0.466454 trlgG= -0.584244 logG= -0.057236 TDE= -0.341625 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010688 tlogG= -0.047284 logG= -0.057973 Density= 0.430583 ETOT(band)= -0.467080 trlgG= -0.586898 logG= -0.057973 TDE= -0.342290 logGD-logG0= -0.004782 tlogG= -0.022335 logG= -0.027117 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215079 ETOT(band)= -0.231944 trlgG= -0.289104 logG= -0.027117 TDE= -0.170256 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009969 tlogG= -0.047575 logG= -0.057545 Density= 0.428717 ETOT(band)= -0.467459 trlgG= -0.586238 logG= -0.057545 TDE= -0.341956 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010213 tlogG= -0.047586 logG= -0.057800 Density= 0.430113 ETOT(band)= -0.467100 trlgG= -0.586174 logG= -0.057800 TDE= -0.342070 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004823 tlogG= -0.022335 logG= -0.027158 Density= 0.322947 ETOT(band)= -0.347968 trlgG= -0.434035 logG= -0.027158 TDE= -0.170250 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009944 tlogG= -0.044638 logG= -0.054582 Density= 0.324354 ETOT(band)= -0.346666 trlgG= -0.431983 logG= -0.054582 TDE= -0.340784 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004896 tlogG= -0.021310 logG= -0.026206 Density= 0.162680 ETOT(band)= -0.172982 trlgG= -0.215932 logG= -0.026206 TDE= -0.169884 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004935 tlogG= -0.022300 logG= -0.027236 Density= 0.214315 ETOT(band)= -0.232430 trlgG= -0.289455 logG= -0.027236 TDE= -0.170169 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004937 tlogG= -0.021215 logG= -0.026152 Density= 0.216390 ETOT(band)= -0.230034 trlgG= -0.285557 logG= -0.026152 TDE= -0.169804 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004978 tlogG= -0.021360 logG= -0.026338 Density= 0.217061 ETOT(band)= -0.229175 trlgG= -0.284302 logG= -0.026338 TDE= -0.169897 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009791 tlogG= -0.044641 logG= -0.054433 Density= 0.431700 ETOT(band)= -0.462070 trlgG= -0.574772 logG= -0.054433 TDE= -0.340420 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004905 tlogG= -0.022481 logG= -0.027385 Density= 0.215073 ETOT(band)= -0.231655 trlgG= -0.288060 logG= -0.027385 TDE= -0.170183 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.021888 logG= -0.026956 Density= 0.216669 ETOT(band)= -0.230282 trlgG= -0.286505 logG= -0.026956 TDE= -0.170229 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.805601822001 eV TrLogG= -407.323883523838 eV Ratio to renormalize= 0.999787291207 rho-rho_expected= 0.004680589059 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 68) Finished k-point number 138 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964644913173397 0.940390940589742 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001483 tlogG= -0.007814 logG= -0.009297 logGD-logG0= -0.001402 tlogG= -0.008047 logG= -0.009449 Density= 0.035502 ETOT(band)= -0.038922 trlgG= -0.048607 logG= -0.009297 TDE= -0.056878 Density= 0.035324 ETOT(band)= -0.039073 trlgG= -0.048971 logG= -0.009449 TDE= -0.057002 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005004 tlogG= -0.022417 logG= -0.027421 Density= 0.107659 ETOT(band)= -0.115958 trlgG= -0.144446 logG= -0.027421 TDE= -0.170300 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001621 tlogG= -0.006995 logG= -0.008616 Density= 0.036203 ETOT(band)= -0.038126 trlgG= -0.047251 logG= -0.008616 TDE= -0.056550 logGD-logG0= -0.002398 tlogG= -0.010431 logG= -0.012829 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054388 ETOT(band)= -0.057071 trlgG= -0.070699 logG= -0.012829 TDE= -0.084784 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004814 tlogG= -0.020998 logG= -0.025812 Density= 0.108730 ETOT(band)= -0.114289 trlgG= -0.141677 logG= -0.025812 TDE= -0.169669 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.021827 logG= -0.026887 Density= 0.107813 ETOT(band)= -0.115530 trlgG= -0.143572 logG= -0.026887 TDE= -0.170036 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021703 logG= -0.026705 Density= 0.107955 ETOT(band)= -0.115338 trlgG= -0.143263 logG= -0.026705 TDE= -0.169980 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004544 ETOT(band)= -0.004733 trlgG= -0.005853 logG= -0.001048 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004536 tlogG= -0.024053 logG= -0.028590 logGD-logG0= -0.004945 tlogG= -0.022179 logG= -0.027124 Density= 0.108380 ETOT(band)= -0.115426 trlgG= -0.143961 logG= -0.027124 TDE= -0.170469 Density= 0.106419 ETOT(band)= -0.117144 trlgG= -0.146796 logG= -0.028590 TDE= -0.170867 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002598 tlogG= -0.012036 logG= -0.014635 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053776 ETOT(band)= -0.058530 trlgG= -0.073685 logG= -0.014635 TDE= -0.085662 logGD-logG0= -0.002416 tlogG= -0.012086 logG= -0.014502 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053598 ETOT(band)= -0.058541 trlgG= -0.073628 logG= -0.014502 TDE= -0.085648 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002328 tlogG= -0.011452 logG= -0.013780 Density= 0.053750 ETOT(band)= -0.058067 trlgG= -0.072502 logG= -0.013780 TDE= -0.085319 logGD-logG0= -0.005023 tlogG= -0.022743 logG= -0.027766 logGD-logG0= -0.004991 tlogG= -0.023650 logG= -0.028641 Density= 0.107006 ETOT(band)= -0.116923 trlgG= -0.146297 logG= -0.028641 TDE= -0.170608 logGD-logG0= -0.005278 tlogG= -0.023692 logG= -0.028971 Density= 0.107259 ETOT(band)= -0.116995 trlgG= -0.146847 logG= -0.028971 TDE= -0.170954 Density= 0.108271 ETOT(band)= -0.115868 trlgG= -0.145004 logG= -0.027766 TDE= -0.170816 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004700 tlogG= -0.023695 logG= -0.028395 Density= 0.107004 ETOT(band)= -0.116834 trlgG= -0.146487 logG= -0.028395 TDE= -0.171043 logGD-logG0= -0.004872 tlogG= -0.024078 logG= -0.028950 Density= 0.107084 ETOT(band)= -0.117087 trlgG= -0.147163 logG= -0.028950 TDE= -0.171204 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005294 tlogG= -0.023204 logG= -0.028499 Density= 0.107708 ETOT(band)= -0.116539 trlgG= -0.146152 logG= -0.028499 TDE= -0.170952 logGD-logG0= -0.005027 tlogG= -0.022467 logG= -0.027494 Density= 0.108225 ETOT(band)= -0.115732 trlgG= -0.144568 logG= -0.027494 TDE= -0.170630 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.023440 logG= -0.028577 logGD-logG0= -0.002555 tlogG= -0.011989 logG= -0.014543 Density= 0.108154 ETOT(band)= -0.116374 trlgG= -0.146290 logG= -0.028577 TDE= -0.171233 logGD-logG0= -0.005095 tlogG= -0.022992 logG= -0.028087 Density= 0.108158 ETOT(band)= -0.116104 trlgG= -0.145515 logG= -0.028087 TDE= -0.170950 Density= 0.054149 ETOT(band)= -0.058293 trlgG= -0.073550 logG= -0.014543 TDE= -0.085802 logGD-logG0= -0.005142 tlogG= -0.023773 logG= -0.028915 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108201 ETOT(band)= -0.116536 trlgG= -0.146825 logG= -0.028915 TDE= -0.171454 logGD-logG0= -0.004312 tlogG= -0.024059 logG= -0.028371 logGD-logG0= -0.002321 tlogG= -0.011888 logG= -0.014209 Density= 0.053575 ETOT(band)= -0.058397 trlgG= -0.073265 logG= -0.014209 TDE= -0.085569 Density= 0.106149 ETOT(band)= -0.117155 trlgG= -0.146786 logG= -0.028371 TDE= -0.170942 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002623 tlogG= -0.011993 logG= -0.014616 logGD-logG0= -0.004339 tlogG= -0.023982 logG= -0.028321 Density= 0.106201 ETOT(band)= -0.117111 trlgG= -0.146673 logG= -0.028321 TDE= -0.170905 Density= 0.053995 ETOT(band)= -0.058414 trlgG= -0.073670 logG= -0.014616 TDE= -0.085774 logGD-logG0= -0.005271 tlogG= -0.024079 logG= -0.029351 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107668 ETOT(band)= -0.117062 trlgG= -0.147517 logG= -0.029351 TDE= -0.171446 logGD-logG0= -0.004822 tlogG= -0.023697 logG= -0.028519 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023960 logG= -0.029088 Density= 0.108252 ETOT(band)= -0.116611 trlgG= -0.147104 logG= -0.029088 TDE= -0.171584 Density= 0.107405 ETOT(band)= -0.116716 trlgG= -0.146397 logG= -0.028519 TDE= -0.171028 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.022858 logG= -0.027714 Density= 0.107772 ETOT(band)= -0.116087 trlgG= -0.144931 logG= -0.027714 TDE= -0.170548 logGD-logG0= -0.004985 tlogG= -0.024101 logG= -0.029086 Density= 0.107406 ETOT(band)= -0.117026 trlgG= -0.147138 logG= -0.029086 TDE= -0.171202 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004614 tlogG= -0.023213 logG= -0.027827 Density= 0.106765 ETOT(band)= -0.116613 trlgG= -0.145468 logG= -0.027827 TDE= -0.170474 logGD-logG0= -0.005119 tlogG= -0.023615 logG= -0.028733 Density= 0.108226 ETOT(band)= -0.116421 trlgG= -0.146534 logG= -0.028733 TDE= -0.171357 logGD-logG0= -0.005304 tlogG= -0.023910 logG= -0.029214 Density= 0.107777 ETOT(band)= -0.116928 trlgG= -0.147302 logG= -0.029214 TDE= -0.171421 logGD-logG0= -0.005116 tlogG= -0.023881 logG= -0.028997 Density= 0.108272 ETOT(band)= -0.116547 trlgG= -0.146955 logG= -0.028997 TDE= -0.171537 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005279 tlogG= -0.024097 logG= -0.029376 logGD-logG0= -0.005088 tlogG= -0.023225 logG= -0.028313 Density= 0.108217 ETOT(band)= -0.116198 trlgG= -0.145871 logG= -0.028313 TDE= -0.171109 Density= 0.107912 ETOT(band)= -0.116970 trlgG= -0.147581 logG= -0.029376 TDE= -0.171606 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023975 logG= -0.029197 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107471 ETOT(band)= -0.117048 trlgG= -0.147243 logG= -0.029197 TDE= -0.171228 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.024143 logG= -0.029455 logGD-logG0= -0.004701 tlogG= -0.022997 logG= -0.027698 Density= 0.107836 ETOT(band)= -0.117058 trlgG= -0.147706 logG= -0.029455 TDE= -0.171614 Density= 0.106901 ETOT(band)= -0.116482 trlgG= -0.145206 logG= -0.027698 TDE= -0.170408 logGD-logG0= -0.005103 tlogG= -0.022884 logG= -0.027987 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.023676 logG= -0.028348 Density= 0.106628 ETOT(band)= -0.116950 trlgG= -0.146381 logG= -0.028348 TDE= -0.170798 logGD-logG0= -0.004896 tlogG= -0.023900 logG= -0.028796 Density= 0.106786 ETOT(band)= -0.117105 trlgG= -0.146908 logG= -0.028796 TDE= -0.170955 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.023508 logG= -0.028234 Density= 0.106802 ETOT(band)= -0.116804 trlgG= -0.145952 logG= -0.028234 TDE= -0.170569 Density= 0.107641 ETOT(band)= -0.116291 trlgG= -0.145342 logG= -0.027987 TDE= -0.170622 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.024068 logG= -0.029322 Density= 0.107971 ETOT(band)= -0.116903 trlgG= -0.147493 logG= -0.029322 TDE= -0.171600 logGD-logG0= -0.004732 tlogG= -0.022861 logG= -0.027593 Density= 0.107324 ETOT(band)= -0.116230 trlgG= -0.145056 logG= -0.027593 TDE= -0.170572 logGD-logG0= -0.009767 tlogG= -0.048261 logG= -0.058028 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214457 ETOT(band)= -0.234133 trlgG= -0.294402 logG= -0.058028 TDE= -0.342498 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023880 logG= -0.029145 Density= 0.107940 ETOT(band)= -0.116797 trlgG= -0.147197 logG= -0.029145 TDE= -0.171465 logGD-logG0= -0.009455 tlogG= -0.045778 logG= -0.055233 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215070 ETOT(band)= -0.232295 trlgG= -0.290014 logG= -0.055233 TDE= -0.341208 logGD-logG0= -0.009633 tlogG= -0.047177 logG= -0.056810 Density= 0.213824 ETOT(band)= -0.233726 trlgG= -0.292826 logG= -0.056810 TDE= -0.341827 logGD-logG0= -0.009092 tlogG= -0.047647 logG= -0.056739 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212987 ETOT(band)= -0.234023 trlgG= -0.292894 logG= -0.056739 TDE= -0.341552 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009734 tlogG= -0.045608 logG= -0.055342 Density= 0.214418 ETOT(band)= -0.232644 trlgG= -0.290190 logG= -0.055342 TDE= -0.340953 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047918 logG= -0.057830 logGD-logG0= -0.010489 tlogG= -0.047764 logG= -0.058254 Density= 0.214812 ETOT(band)= -0.234058 trlgG= -0.294239 logG= -0.058254 TDE= -0.342285 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214026 ETOT(band)= -0.234171 trlgG= -0.294090 logG= -0.057830 TDE= -0.342170 logGD-logG0= -0.009795 tlogG= -0.047170 logG= -0.056966 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213835 ETOT(band)= -0.233770 trlgG= -0.292618 logG= -0.056966 TDE= -0.341468 logGD-logG0= -0.009521 tlogG= -0.047946 logG= -0.057468 Density= 0.213333 ETOT(band)= -0.234233 trlgG= -0.293540 logG= -0.057468 TDE= -0.341640 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009406 tlogG= -0.047465 logG= -0.056871 Density= 0.214367 ETOT(band)= -0.233558 trlgG= -0.292957 logG= -0.056871 TDE= -0.342166 logGD-logG0= -0.005303 tlogG= -0.023589 logG= -0.028892 Density= 0.107825 ETOT(band)= -0.116701 trlgG= -0.146781 logG= -0.028892 TDE= -0.171246 logGD-logG0= -0.010293 tlogG= -0.047997 logG= -0.058290 logGD-logG0= -0.010526 tlogG= -0.048033 logG= -0.058559 Density= 0.215161 ETOT(band)= -0.234104 trlgG= -0.294778 logG= -0.058559 TDE= -0.342691 logGD-logG0= -0.010037 tlogG= -0.048047 logG= -0.058083 Density= 0.214587 ETOT(band)= -0.234081 trlgG= -0.294152 logG= -0.058083 TDE= -0.342257 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215127 ETOT(band)= -0.233968 trlgG= -0.294334 logG= -0.058290 TDE= -0.342499 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010445 tlogG= -0.048099 logG= -0.058544 Density= 0.215124 ETOT(band)= -0.234112 trlgG= -0.294750 logG= -0.058544 TDE= -0.342661 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009839 tlogG= -0.045667 logG= -0.055506 Density= 0.215201 ETOT(band)= -0.232371 trlgG= -0.290006 logG= -0.055506 TDE= -0.340992 logGD-logG0= -0.010354 tlogG= -0.047804 logG= -0.058158 logGD-logG0= -0.010154 tlogG= -0.047677 logG= -0.057831 Density= 0.214007 ETOT(band)= -0.234158 trlgG= -0.293842 logG= -0.057831 TDE= -0.341913 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214711 ETOT(band)= -0.234052 trlgG= -0.294069 logG= -0.058158 TDE= -0.342161 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007307 logG= -0.008995 logGD-logG0= -0.010581 tlogG= -0.047548 logG= -0.058129 Density= 0.035852 ETOT(band)= -0.038574 trlgG= -0.047911 logG= -0.008995 TDE= -0.056658 Density= 0.215751 ETOT(band)= -0.233561 trlgG= -0.294124 logG= -0.058129 TDE= -0.342759 logGD-logG0= -0.010507 tlogG= -0.047961 logG= -0.058468 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215947 ETOT(band)= -0.233677 trlgG= -0.294687 logG= -0.058468 TDE= -0.343080 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.048163 logG= -0.058802 logGD-logG0= -0.010382 tlogG= -0.047325 logG= -0.057707 Density= 0.215476 ETOT(band)= -0.234130 trlgG= -0.295215 logG= -0.058802 TDE= -0.343041 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214318 ETOT(band)= -0.233952 trlgG= -0.293319 logG= -0.057707 TDE= -0.341668 logGD-logG0= -0.010591 tlogG= -0.046897 logG= -0.057488 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010549 tlogG= -0.047439 logG= -0.057988 Density= 0.215481 ETOT(band)= -0.233324 trlgG= -0.293083 logG= -0.057488 TDE= -0.342226 Density= 0.215519 ETOT(band)= -0.233601 trlgG= -0.293883 logG= -0.057988 TDE= -0.342545 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010152 tlogG= -0.046430 logG= -0.056582 Density= 0.215267 ETOT(band)= -0.232933 trlgG= -0.291639 logG= -0.056582 TDE= -0.341582 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010561 tlogG= -0.047910 logG= -0.058471 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215819 ETOT(band)= -0.233750 trlgG= -0.294689 logG= -0.058471 TDE= -0.343016 logGD-logG0= -0.004955 tlogG= -0.022913 logG= -0.027868 Density= 0.214850 ETOT(band)= -0.232393 trlgG= -0.289707 logG= -0.027868 TDE= -0.170435 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009761 tlogG= -0.047242 logG= -0.057003 logGD-logG0= -0.001428 tlogG= -0.007968 logG= -0.009396 Density= 0.214532 ETOT(band)= -0.233519 trlgG= -0.292731 logG= -0.057003 TDE= -0.341889 Density= 0.070888 ETOT(band)= -0.077945 trlgG= -0.097456 logG= -0.009396 TDE= -0.056963 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010064 tlogG= -0.047170 logG= -0.057234 Density= 0.215203 ETOT(band)= -0.233334 trlgG= -0.292656 logG= -0.057234 TDE= -0.341916 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002459 tlogG= -0.010845 logG= -0.013304 Density= 0.054074 ETOT(band)= -0.057588 trlgG= -0.071544 logG= -0.013304 TDE= -0.084999 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004980 tlogG= -0.021884 logG= -0.026864 Density= 0.108344 ETOT(band)= -0.115242 trlgG= -0.143512 logG= -0.026864 TDE= -0.170262 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004894 tlogG= -0.021574 logG= -0.026468 Density= 0.108534 ETOT(band)= -0.114876 trlgG= -0.142833 logG= -0.026468 TDE= -0.170073 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001202 tlogG= -0.005309 logG= -0.006512 Density= 0.081573 ETOT(band)= -0.085687 trlgG= -0.106220 logG= -0.006512 TDE= -0.042462 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001184 tlogG= -0.005173 logG= -0.006357 Density= 0.062556 ETOT(band)= -0.067542 trlgG= -0.084213 logG= -0.006357 TDE= -0.042361 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001689 tlogG= -0.007120 logG= -0.008809 Density= 0.072244 ETOT(band)= -0.076479 trlgG= -0.094849 logG= -0.008809 TDE= -0.056625 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004905 tlogG= -0.022481 logG= -0.027386 Density= 0.215074 ETOT(band)= -0.231658 trlgG= -0.288064 logG= -0.027386 TDE= -0.170184 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009997 tlogG= -0.043407 logG= -0.053404 Density= 0.216322 ETOT(band)= -0.230466 trlgG= -0.286503 logG= -0.053404 TDE= -0.340146 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004978 tlogG= -0.021360 logG= -0.026338 Density= 0.217062 ETOT(band)= -0.229177 trlgG= -0.284305 logG= -0.026338 TDE= -0.169899 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004937 tlogG= -0.021215 logG= -0.026152 Density= 0.216391 ETOT(band)= -0.230036 trlgG= -0.285561 logG= -0.026152 TDE= -0.169805 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001234 tlogG= -0.005622 logG= -0.006856 Density= 0.080856 ETOT(band)= -0.086966 trlgG= -0.108615 logG= -0.006856 TDE= -0.042671 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001255 tlogG= -0.005750 logG= -0.007005 Density= 0.080656 ETOT(band)= -0.087394 trlgG= -0.109617 logG= -0.007005 TDE= -0.042747 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023424 logG= -0.028619 Density= 0.216246 ETOT(band)= -0.232652 trlgG= -0.292224 logG= -0.028619 TDE= -0.171192 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004820 tlogG= -0.023845 logG= -0.028665 Density= 0.213632 ETOT(band)= -0.234136 trlgG= -0.293753 logG= -0.028665 TDE= -0.171053 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023253 logG= -0.028022 Density= 0.213558 ETOT(band)= -0.233603 trlgG= -0.292237 logG= -0.028022 TDE= -0.170748 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022448 logG= -0.027554 Density= 0.216416 ETOT(band)= -0.231281 trlgG= -0.288624 logG= -0.027554 TDE= -0.170571 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004564 tlogG= -0.023980 logG= -0.028544 Density= 0.212870 ETOT(band)= -0.234258 trlgG= -0.293497 logG= -0.028544 TDE= -0.170835 logGD-logG0= -0.005157 tlogG= -0.023202 logG= -0.028359 Density= 0.214921 ETOT(band)= -0.232947 trlgG= -0.291237 logG= -0.028359 TDE= -0.170623 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.022977 logG= -0.028144 Density= 0.216272 ETOT(band)= -0.232078 trlgG= -0.290609 logG= -0.028144 TDE= -0.170905 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.023890 logG= -0.028794 Density= 0.213846 ETOT(band)= -0.233998 trlgG= -0.293018 logG= -0.028794 TDE= -0.170797 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004726 tlogG= -0.024015 logG= -0.028741 Density= 0.214178 ETOT(band)= -0.234075 trlgG= -0.294143 logG= -0.028741 TDE= -0.171234 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004638 tlogG= -0.023379 logG= -0.028017 Density= 0.214240 ETOT(band)= -0.233363 trlgG= -0.292351 logG= -0.028017 TDE= -0.170912 logGD-logG0= -0.001274 tlogG= -0.005941 logG= -0.007215 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080851 ETOT(band)= -0.087645 trlgG= -0.110370 logG= -0.007215 TDE= -0.042867 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005064 tlogG= -0.023965 logG= -0.029029 Density= 0.214396 ETOT(band)= -0.234085 trlgG= -0.293927 logG= -0.029029 TDE= -0.171067 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005422 tlogG= -0.023363 logG= -0.028785 Density= 0.215160 ETOT(band)= -0.233346 trlgG= -0.292732 logG= -0.028785 TDE= -0.170967 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001222 tlogG= -0.005470 logG= -0.006692 Density= 0.081216 ETOT(band)= -0.086354 trlgG= -0.107378 logG= -0.006692 TDE= -0.042574 logGD-logG0= -0.001270 tlogG= -0.005858 logG= -0.007127 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080668 ETOT(band)= -0.087609 trlgG= -0.110172 logG= -0.007127 TDE= -0.042813 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.022335 logG= -0.027118 Density= 0.215080 ETOT(band)= -0.231946 trlgG= -0.289108 logG= -0.027118 TDE= -0.170258 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001273 tlogG= -0.005986 logG= -0.007259 Density= 0.081079 ETOT(band)= -0.087548 trlgG= -0.110424 logG= -0.007259 TDE= -0.042897 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023809 logG= -0.029053 Density= 0.215386 ETOT(band)= -0.233755 trlgG= -0.294187 logG= -0.029053 TDE= -0.171429 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.024011 logG= -0.029221 Density= 0.215737 ETOT(band)= -0.233850 trlgG= -0.294842 logG= -0.029221 TDE= -0.171582 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023491 logG= -0.028730 Density= 0.215267 ETOT(band)= -0.233320 trlgG= -0.292924 logG= -0.028730 TDE= -0.171172 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004758 tlogG= -0.024014 logG= -0.028773 Density= 0.321650 ETOT(band)= -0.351093 trlgG= -0.441360 logG= -0.028773 TDE= -0.171229 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.023853 logG= -0.028915 Density= 0.215547 ETOT(band)= -0.233751 trlgG= -0.294291 logG= -0.028915 TDE= -0.171117 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004286 tlogG= -0.024139 logG= -0.028425 Density= 0.212237 ETOT(band)= -0.234359 trlgG= -0.293695 logG= -0.028425 TDE= -0.170981 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.024009 logG= -0.029183 Density= 0.216403 ETOT(band)= -0.233333 trlgG= -0.294368 logG= -0.029183 TDE= -0.171599 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.024132 logG= -0.029435 Density= 0.215770 ETOT(band)= -0.234005 trlgG= -0.295258 logG= -0.029435 TDE= -0.171614 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004670 tlogG= -0.023376 logG= -0.028046 Density= 0.321719 ETOT(band)= -0.350046 trlgG= -0.438784 logG= -0.028046 TDE= -0.170904 logGD-logG0= -0.010378 tlogG= -0.047805 logG= -0.058184 Density= 0.324423 ETOT(band)= -0.349905 trlgG= -0.441050 logG= -0.058184 TDE= -0.343038 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004475 tlogG= -0.023594 logG= -0.028070 logGD-logG0= -0.010151 tlogG= -0.045647 logG= -0.055798 Density= 0.212682 ETOT(band)= -0.233980 trlgG= -0.292749 logG= -0.028070 TDE= -0.170698 Density= 0.324116 ETOT(band)= -0.347938 trlgG= -0.434998 logG= -0.055798 TDE= -0.341465 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023966 logG= -0.029134 Density= 0.216437 ETOT(band)= -0.233229 trlgG= -0.294136 logG= -0.029134 TDE= -0.171572 logGD-logG0= -0.005187 tlogG= -0.023771 logG= -0.028959 Density= 0.216326 ETOT(band)= -0.233031 trlgG= -0.293431 logG= -0.028959 TDE= -0.171431 logGD-logG0= -0.010663 tlogG= -0.048058 logG= -0.058721 logGD-logG0= -0.001578 tlogG= -0.006877 logG= -0.008455 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004420 tlogG= -0.023748 logG= -0.028167 Density= 0.213148 ETOT(band)= -0.233574 trlgG= -0.291775 logG= -0.028167 TDE= -0.170783 Density= 0.323325 ETOT(band)= -0.350974 trlgG= -0.442391 logG= -0.058721 TDE= -0.343031 logGD-logG0= -0.010424 tlogG= -0.047254 logG= -0.057679 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324206 ETOT(band)= -0.349537 trlgG= -0.439702 logG= -0.057679 TDE= -0.342646 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040855 ETOT(band)= -0.042673 trlgG= -0.052803 logG= -0.008455 TDE= -0.056464 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009656 tlogG= -0.046622 logG= -0.056279 logGD-logG0= -0.005004 tlogG= -0.024165 logG= -0.029170 Density= 0.214796 ETOT(band)= -0.234158 trlgG= -0.294543 logG= -0.029170 TDE= -0.171240 Density= 0.322783 ETOT(band)= -0.349003 trlgG= -0.436428 logG= -0.056279 TDE= -0.341618 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010422 tlogG= -0.046434 logG= -0.056856 Density= 0.324069 ETOT(band)= -0.348881 trlgG= -0.437616 logG= -0.056856 TDE= -0.342089 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023898 logG= -0.028487 logGD-logG0= -0.005336 tlogG= -0.023967 logG= -0.029303 logGD-logG0= -0.005030 tlogG= -0.024171 logG= -0.029201 Density= 0.322522 ETOT(band)= -0.351208 trlgG= -0.442041 logG= -0.029201 TDE= -0.171235 Density= 0.213341 ETOT(band)= -0.233850 trlgG= -0.292505 logG= -0.028487 TDE= -0.170787 Density= 0.323737 ETOT(band)= -0.350648 trlgG= -0.442136 logG= -0.029303 TDE= -0.171486 logGD-logG0= -0.005017 tlogG= -0.023253 logG= -0.028270 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321786 ETOT(band)= -0.350552 trlgG= -0.439636 logG= -0.028270 TDE= -0.170859 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005236 tlogG= -0.024092 logG= -0.029328 Density= 0.323141 ETOT(band)= -0.351182 trlgG= -0.442693 logG= -0.029328 TDE= -0.171428 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005352 tlogG= -0.023908 logG= -0.029259 Density= 0.215697 ETOT(band)= -0.233752 trlgG= -0.294570 logG= -0.029259 TDE= -0.171438 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008930 tlogG= -0.048111 logG= -0.057042 Density= 0.425659 ETOT(band)= -0.468315 trlgG= -0.586481 logG= -0.057042 TDE= -0.341786 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010116 tlogG= -0.048166 logG= -0.058282 Density= 0.429411 ETOT(band)= -0.468249 trlgG= -0.588646 logG= -0.058282 TDE= -0.342320 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009612 tlogG= -0.047857 logG= -0.057469 Density= 0.428152 ETOT(band)= -0.468135 trlgG= -0.587872 logG= -0.057469 TDE= -0.342274 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009422 tlogG= -0.046728 logG= -0.056151 Density= 0.428006 ETOT(band)= -0.466110 trlgG= -0.581874 logG= -0.056151 TDE= -0.341227 logGD-logG0= -0.001568 tlogG= -0.007591 logG= -0.009159 Density= 0.071515 ETOT(band)= -0.077345 trlgG= -0.096161 logG= -0.009159 TDE= -0.056739 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009476 tlogG= -0.046625 logG= -0.056100 Density= 0.428210 ETOT(band)= -0.466832 trlgG= -0.584480 logG= -0.056100 TDE= -0.341643 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010250 tlogG= -0.048239 logG= -0.058488 Density= 0.430144 ETOT(band)= -0.468255 trlgG= -0.589417 logG= -0.058488 TDE= -0.342535 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009789 tlogG= -0.047871 logG= -0.057659 logGD-logG0= -0.010227 tlogG= -0.047685 logG= -0.057912 logGD-logG0= -0.010285 tlogG= -0.047974 logG= -0.058259 Density= 0.429314 ETOT(band)= -0.468211 trlgG= -0.588292 logG= -0.058259 TDE= -0.342160 Density= 0.428404 ETOT(band)= -0.468119 trlgG= -0.587205 logG= -0.057912 TDE= -0.341914 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429246 ETOT(band)= -0.467913 trlgG= -0.587847 logG= -0.057659 TDE= -0.342260 logGD-logG0= -0.010729 tlogG= -0.047712 logG= -0.058442 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431195 ETOT(band)= -0.467454 trlgG= -0.588738 logG= -0.058442 TDE= -0.342784 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009623 tlogG= -0.047666 logG= -0.057288 logGD-logG0= -0.010629 tlogG= -0.047746 logG= -0.058375 Density= 0.426791 ETOT(band)= -0.468345 trlgG= -0.587003 logG= -0.057288 TDE= -0.341805 logGD-logG0= -0.009577 tlogG= -0.047785 logG= -0.057361 Density= 0.430855 ETOT(band)= -0.467510 trlgG= -0.588377 logG= -0.058375 TDE= -0.342677 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010460 tlogG= -0.048088 logG= -0.058548 Density= 0.430250 ETOT(band)= -0.468085 trlgG= -0.589089 logG= -0.058548 TDE= -0.342661 Density= 0.427293 ETOT(band)= -0.467896 trlgG= -0.585856 logG= -0.057361 TDE= -0.341507 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004895 tlogG= -0.021311 logG= -0.026206 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162681 ETOT(band)= -0.172984 trlgG= -0.215934 logG= -0.026206 TDE= -0.169886 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009905 tlogG= -0.046418 logG= -0.056322 Density= 0.429637 ETOT(band)= -0.465543 trlgG= -0.581553 logG= -0.056322 TDE= -0.341338 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010654 tlogG= -0.048037 logG= -0.058691 Density= 0.431435 ETOT(band)= -0.467737 trlgG= -0.589731 logG= -0.058691 TDE= -0.343049 logGD-logG0= -0.010289 tlogG= -0.046948 logG= -0.057237 Density= 0.429985 ETOT(band)= -0.466459 trlgG= -0.584252 logG= -0.057237 TDE= -0.341629 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009969 tlogG= -0.047576 logG= -0.057546 Density= 0.428719 ETOT(band)= -0.467464 trlgG= -0.586245 logG= -0.057546 TDE= -0.341959 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010688 tlogG= -0.047285 logG= -0.057973 Density= 0.430585 ETOT(band)= -0.467085 trlgG= -0.586905 logG= -0.057973 TDE= -0.342293 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005400 tlogG= -0.023694 logG= -0.029093 logGD-logG0= -0.010213 tlogG= -0.047587 logG= -0.057800 Density= 0.430115 ETOT(band)= -0.467106 trlgG= -0.586181 logG= -0.057800 TDE= -0.342074 Density= 0.215460 ETOT(band)= -0.233604 trlgG= -0.293872 logG= -0.029093 TDE= -0.171260 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004822 tlogG= -0.022336 logG= -0.027158 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322949 ETOT(band)= -0.347972 trlgG= -0.434040 logG= -0.027158 TDE= -0.170252 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009943 tlogG= -0.044639 logG= -0.054582 Density= 0.324356 ETOT(band)= -0.346670 trlgG= -0.431988 logG= -0.054582 TDE= -0.340787 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004935 tlogG= -0.022301 logG= -0.027236 Density= 0.214316 ETOT(band)= -0.232433 trlgG= -0.289459 logG= -0.027236 TDE= -0.170171 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005067 tlogG= -0.021889 logG= -0.026956 Density= 0.216670 ETOT(band)= -0.230284 trlgG= -0.286509 logG= -0.026956 TDE= -0.170231 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009791 tlogG= -0.044642 logG= -0.054433 Density= 0.431702 ETOT(band)= -0.462075 trlgG= -0.574779 logG= -0.054433 TDE= -0.340424 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.809173797256 eV TrLogG= -407.329601270275 eV Ratio to renormalize= 0.999783014705 rho-rho_expected= 0.004774712530 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964643331556986 0.940383320263685 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002321 tlogG= -0.011887 logG= -0.014208 Density= 0.053575 ETOT(band)= -0.058396 trlgG= -0.073264 logG= -0.014208 TDE= -0.085567 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002328 tlogG= -0.011452 logG= -0.013780 Density= 0.053749 ETOT(band)= -0.058066 trlgG= -0.072500 logG= -0.013780 TDE= -0.085318 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.022178 logG= -0.027123 Density= 0.108380 ETOT(band)= -0.115423 trlgG= -0.143957 logG= -0.027123 TDE= -0.170466 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.023224 logG= -0.028313 Density= 0.108216 ETOT(band)= -0.116195 trlgG= -0.145867 logG= -0.028313 TDE= -0.171106 logGD-logG0= -0.005279 tlogG= -0.023691 logG= -0.028970 logGD-logG0= -0.004991 tlogG= -0.023650 logG= -0.028640 Density= 0.107005 ETOT(band)= -0.116920 trlgG= -0.146293 logG= -0.028640 TDE= -0.170604 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107258 ETOT(band)= -0.116992 trlgG= -0.146843 logG= -0.028970 TDE= -0.170950 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.022882 logG= -0.027986 Density= 0.107640 ETOT(band)= -0.116288 trlgG= -0.145338 logG= -0.027986 TDE= -0.170618 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005295 tlogG= -0.023203 logG= -0.028498 Density= 0.107707 ETOT(band)= -0.116536 trlgG= -0.146148 logG= -0.028498 TDE= -0.170949 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000195 tlogG= -0.000853 logG= -0.001048 Density= 0.004544 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001048 TDE= -0.007053 logGD-logG0= -0.001483 tlogG= -0.007813 logG= -0.009297 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.035502 ETOT(band)= -0.038921 trlgG= -0.048606 logG= -0.009297 TDE= -0.056877 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004313 tlogG= -0.024058 logG= -0.028371 Density= 0.106149 ETOT(band)= -0.117152 trlgG= -0.146782 logG= -0.028371 TDE= -0.170939 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004340 tlogG= -0.023981 logG= -0.028320 Density= 0.106200 ETOT(band)= -0.117108 trlgG= -0.146669 logG= -0.028320 TDE= -0.170902 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004701 tlogG= -0.022996 logG= -0.027697 Density= 0.106900 ETOT(band)= -0.116480 trlgG= -0.145202 logG= -0.027697 TDE= -0.170404 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001402 tlogG= -0.008047 logG= -0.009448 Density= 0.035324 ETOT(band)= -0.039072 trlgG= -0.048969 logG= -0.009448 TDE= -0.057001 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004615 tlogG= -0.023212 logG= -0.027826 Density= 0.106765 ETOT(band)= -0.116610 trlgG= -0.145464 logG= -0.027826 TDE= -0.170470 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002416 tlogG= -0.012086 logG= -0.014502 Density= 0.053598 ETOT(band)= -0.058540 trlgG= -0.073626 logG= -0.014502 TDE= -0.085647 logGD-logG0= -0.002599 tlogG= -0.012036 logG= -0.014634 Density= 0.053775 ETOT(band)= -0.058529 trlgG= -0.073684 logG= -0.014634 TDE= -0.085660 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.022416 logG= -0.027420 Density= 0.107658 ETOT(band)= -0.115955 trlgG= -0.144443 logG= -0.027420 TDE= -0.170297 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001688 tlogG= -0.007307 logG= -0.008994 Density= 0.035852 ETOT(band)= -0.038573 trlgG= -0.047910 logG= -0.008994 TDE= -0.056657 logGD-logG0= -0.004727 tlogG= -0.023507 logG= -0.028233 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106801 ETOT(band)= -0.116802 trlgG= -0.145948 logG= -0.028233 TDE= -0.170566 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002555 tlogG= -0.011988 logG= -0.014543 Density= 0.054148 ETOT(band)= -0.058292 trlgG= -0.073548 logG= -0.014543 TDE= -0.085801 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.024078 logG= -0.029350 Density= 0.107667 ETOT(band)= -0.117059 trlgG= -0.147513 logG= -0.029350 TDE= -0.171443 logGD-logG0= -0.005142 tlogG= -0.023772 logG= -0.028914 Density= 0.108200 ETOT(band)= -0.116534 trlgG= -0.146822 logG= -0.028914 TDE= -0.171450 logGD-logG0= -0.002624 tlogG= -0.011992 logG= -0.014615 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053994 ETOT(band)= -0.058413 trlgG= -0.073668 logG= -0.014615 TDE= -0.085772 logGD-logG0= -0.005028 tlogG= -0.022465 logG= -0.027493 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108225 ETOT(band)= -0.115729 trlgG= -0.144565 logG= -0.027493 TDE= -0.170626 logGD-logG0= -0.005138 tlogG= -0.023438 logG= -0.028576 logGD-logG0= -0.005096 tlogG= -0.022991 logG= -0.028086 Density= 0.108157 ETOT(band)= -0.116102 trlgG= -0.145512 logG= -0.028086 TDE= -0.170947 logGD-logG0= -0.005304 tlogG= -0.023909 logG= -0.029214 Density= 0.108153 ETOT(band)= -0.116372 trlgG= -0.146286 logG= -0.028576 TDE= -0.171229 Density= 0.107776 ETOT(band)= -0.116926 trlgG= -0.147298 logG= -0.029214 TDE= -0.171418 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.023958 logG= -0.029088 Density= 0.108251 ETOT(band)= -0.116609 trlgG= -0.147100 logG= -0.029088 TDE= -0.171580 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004536 tlogG= -0.024052 logG= -0.028589 Density= 0.106418 ETOT(band)= -0.117141 trlgG= -0.146792 logG= -0.028589 TDE= -0.170864 logGD-logG0= -0.005280 tlogG= -0.024095 logG= -0.029375 Density= 0.107911 ETOT(band)= -0.116968 trlgG= -0.147578 logG= -0.029375 TDE= -0.171602 logGD-logG0= -0.004986 tlogG= -0.024100 logG= -0.029086 Density= 0.107405 ETOT(band)= -0.117024 trlgG= -0.147134 logG= -0.029086 TDE= -0.171198 logGD-logG0= -0.005313 tlogG= -0.024141 logG= -0.029454 Density= 0.107835 ETOT(band)= -0.117056 trlgG= -0.147703 logG= -0.029454 TDE= -0.171611 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001621 tlogG= -0.006994 logG= -0.008616 Density= 0.036202 ETOT(band)= -0.038125 trlgG= -0.047250 logG= -0.008616 TDE= -0.056549 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023974 logG= -0.029196 Density= 0.107470 ETOT(band)= -0.117045 trlgG= -0.147239 logG= -0.029196 TDE= -0.171225 logGD-logG0= -0.004822 tlogG= -0.023695 logG= -0.028518 logGD-logG0= -0.005117 tlogG= -0.023879 logG= -0.028996 Density= 0.108271 ETOT(band)= -0.116544 trlgG= -0.146951 logG= -0.028996 TDE= -0.171533 logGD-logG0= -0.004856 tlogG= -0.022857 logG= -0.027713 Density= 0.107404 ETOT(band)= -0.116713 trlgG= -0.146393 logG= -0.028518 TDE= -0.171024 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107771 ETOT(band)= -0.116084 trlgG= -0.144927 logG= -0.027713 TDE= -0.170544 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004672 tlogG= -0.023675 logG= -0.028347 Density= 0.106627 ETOT(band)= -0.116947 trlgG= -0.146377 logG= -0.028347 TDE= -0.170795 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022742 logG= -0.027765 logGD-logG0= -0.004873 tlogG= -0.024076 logG= -0.028949 Density= 0.107083 ETOT(band)= -0.117084 trlgG= -0.147160 logG= -0.028949 TDE= -0.171201 Density= 0.108270 ETOT(band)= -0.115866 trlgG= -0.145001 logG= -0.027765 TDE= -0.170813 logGD-logG0= -0.004896 tlogG= -0.023899 logG= -0.028795 Density= 0.106785 ETOT(band)= -0.117103 trlgG= -0.146904 logG= -0.028795 TDE= -0.170952 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004700 tlogG= -0.023694 logG= -0.028394 Density= 0.107003 ETOT(band)= -0.116831 trlgG= -0.146483 logG= -0.028394 TDE= -0.171039 logGD-logG0= -0.005119 tlogG= -0.023613 logG= -0.028733 Density= 0.108225 ETOT(band)= -0.116418 trlgG= -0.146531 logG= -0.028733 TDE= -0.171353 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002398 tlogG= -0.010430 logG= -0.012829 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004733 tlogG= -0.022859 logG= -0.027592 Density= 0.054387 ETOT(band)= -0.057070 trlgG= -0.070697 logG= -0.012829 TDE= -0.084782 Density= 0.107323 ETOT(band)= -0.116227 trlgG= -0.145052 logG= -0.027592 TDE= -0.170568 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009456 tlogG= -0.045775 logG= -0.055231 Density= 0.215068 ETOT(band)= -0.232289 trlgG= -0.290006 logG= -0.055231 TDE= -0.341201 logGD-logG0= -0.005304 tlogG= -0.023588 logG= -0.028892 logGD-logG0= -0.009768 tlogG= -0.048259 logG= -0.058026 Density= 0.214455 ETOT(band)= -0.234128 trlgG= -0.294395 logG= -0.058026 TDE= -0.342491 Density= 0.107824 ETOT(band)= -0.116698 trlgG= -0.146778 logG= -0.028892 TDE= -0.171243 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023878 logG= -0.029145 Density= 0.107939 ETOT(band)= -0.116794 trlgG= -0.147193 logG= -0.029145 TDE= -0.171462 logGD-logG0= -0.009092 tlogG= -0.047645 logG= -0.056737 Density= 0.212985 ETOT(band)= -0.234018 trlgG= -0.292886 logG= -0.056737 TDE= -0.341545 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024067 logG= -0.029322 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107970 ETOT(band)= -0.116901 trlgG= -0.147489 logG= -0.029322 TDE= -0.171597 logGD-logG0= -0.009913 tlogG= -0.047915 logG= -0.057828 Density= 0.214025 ETOT(band)= -0.234166 trlgG= -0.294082 logG= -0.057828 TDE= -0.342163 logGD-logG0= -0.009735 tlogG= -0.045605 logG= -0.055340 Density= 0.214416 ETOT(band)= -0.232638 trlgG= -0.290182 logG= -0.055340 TDE= -0.340946 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009796 tlogG= -0.047168 logG= -0.056964 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010490 tlogG= -0.047762 logG= -0.058252 logGD-logG0= -0.009634 tlogG= -0.047174 logG= -0.056808 Density= 0.213823 ETOT(band)= -0.233720 trlgG= -0.292818 logG= -0.056808 TDE= -0.341820 Density= 0.213834 ETOT(band)= -0.233765 trlgG= -0.292610 logG= -0.056964 TDE= -0.341461 logGD-logG0= -0.005002 tlogG= -0.021702 logG= -0.026704 Density= 0.107954 ETOT(band)= -0.115335 trlgG= -0.143259 logG= -0.026704 TDE= -0.169977 Density= 0.214810 ETOT(band)= -0.234053 trlgG= -0.294231 logG= -0.058252 TDE= -0.342278 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010445 tlogG= -0.048097 logG= -0.058542 logGD-logG0= -0.004895 tlogG= -0.021572 logG= -0.026467 Density= 0.108533 ETOT(band)= -0.114874 trlgG= -0.142829 logG= -0.026467 TDE= -0.170070 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009521 tlogG= -0.047944 logG= -0.057466 Density= 0.213331 ETOT(band)= -0.234228 trlgG= -0.293532 logG= -0.057466 TDE= -0.341633 logGD-logG0= -0.010294 tlogG= -0.047995 logG= -0.058289 Density= 0.215123 ETOT(band)= -0.234107 trlgG= -0.294743 logG= -0.058542 TDE= -0.342654 Density= 0.215125 ETOT(band)= -0.233962 trlgG= -0.294326 logG= -0.058289 TDE= -0.342492 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002459 tlogG= -0.010845 logG= -0.013304 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.054074 ETOT(band)= -0.057587 trlgG= -0.071543 logG= -0.013304 TDE= -0.084997 logGD-logG0= -0.010037 tlogG= -0.048044 logG= -0.058081 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214585 ETOT(band)= -0.234075 trlgG= -0.294144 logG= -0.058081 TDE= -0.342250 logGD-logG0= -0.009407 tlogG= -0.047462 logG= -0.056869 Density= 0.214365 ETOT(band)= -0.233552 trlgG= -0.292949 logG= -0.056869 TDE= -0.342159 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010154 tlogG= -0.047675 logG= -0.057829 logGD-logG0= -0.010527 tlogG= -0.048030 logG= -0.058557 Density= 0.215159 ETOT(band)= -0.234099 trlgG= -0.294770 logG= -0.058557 TDE= -0.342684 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009840 tlogG= -0.045665 logG= -0.055505 Density= 0.214005 ETOT(band)= -0.234153 trlgG= -0.293834 logG= -0.057829 TDE= -0.341906 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215199 ETOT(band)= -0.232366 trlgG= -0.289998 logG= -0.055505 TDE= -0.340985 logGD-logG0= -0.010354 tlogG= -0.047802 logG= -0.058156 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214709 ETOT(band)= -0.234047 trlgG= -0.294062 logG= -0.058156 TDE= -0.342154 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010382 tlogG= -0.047323 logG= -0.057705 logGD-logG0= -0.010508 tlogG= -0.047958 logG= -0.058466 Density= 0.215945 ETOT(band)= -0.233672 trlgG= -0.294679 logG= -0.058466 TDE= -0.343073 Density= 0.214316 ETOT(band)= -0.233946 trlgG= -0.293312 logG= -0.057705 TDE= -0.341661 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010640 tlogG= -0.048161 logG= -0.058801 logGD-logG0= -0.010550 tlogG= -0.047437 logG= -0.057987 logGD-logG0= -0.010582 tlogG= -0.047545 logG= -0.058128 Density= 0.215749 ETOT(band)= -0.233556 trlgG= -0.294117 logG= -0.058128 TDE= -0.342752 logGD-logG0= -0.010153 tlogG= -0.046428 logG= -0.056581 Density= 0.215266 ETOT(band)= -0.232928 trlgG= -0.291632 logG= -0.056581 TDE= -0.341575 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215518 ETOT(band)= -0.233596 trlgG= -0.293876 logG= -0.057987 TDE= -0.342538 Density= 0.215474 ETOT(band)= -0.234125 trlgG= -0.295208 logG= -0.058801 TDE= -0.343034 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004814 tlogG= -0.020997 logG= -0.025812 logGD-logG0= -0.010592 tlogG= -0.046895 logG= -0.057487 Density= 0.215479 ETOT(band)= -0.233319 trlgG= -0.293075 logG= -0.057487 TDE= -0.342219 Density= 0.108729 ETOT(band)= -0.114286 trlgG= -0.141673 logG= -0.025812 TDE= -0.169666 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009762 tlogG= -0.047240 logG= -0.057002 Density= 0.214530 ETOT(band)= -0.233514 trlgG= -0.292724 logG= -0.057002 TDE= -0.341882 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010064 tlogG= -0.047168 logG= -0.057232 Density= 0.215202 ETOT(band)= -0.233329 trlgG= -0.292649 logG= -0.057232 TDE= -0.341909 logGD-logG0= -0.010562 tlogG= -0.047907 logG= -0.058469 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215817 ETOT(band)= -0.233745 trlgG= -0.294681 logG= -0.058469 TDE= -0.343009 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004981 tlogG= -0.021883 logG= -0.026864 Density= 0.108344 ETOT(band)= -0.115240 trlgG= -0.143509 logG= -0.026864 TDE= -0.170259 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005061 tlogG= -0.021825 logG= -0.026886 Density= 0.107812 ETOT(band)= -0.115527 trlgG= -0.143568 logG= -0.026886 TDE= -0.170033 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009998 tlogG= -0.043405 logG= -0.053403 Density= 0.216320 ETOT(band)= -0.230461 trlgG= -0.286496 logG= -0.053403 TDE= -0.340139 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001234 tlogG= -0.005621 logG= -0.006856 Density= 0.080855 ETOT(band)= -0.086964 trlgG= -0.108612 logG= -0.006856 TDE= -0.042670 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001255 tlogG= -0.005750 logG= -0.007005 Density= 0.080655 ETOT(band)= -0.087392 trlgG= -0.109615 logG= -0.007005 TDE= -0.042747 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023423 logG= -0.028618 logGD-logG0= -0.005106 tlogG= -0.022447 logG= -0.027553 Density= 0.216414 ETOT(band)= -0.231276 trlgG= -0.288617 logG= -0.027553 TDE= -0.170567 logGD-logG0= -0.005064 tlogG= -0.023964 logG= -0.029029 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214395 ETOT(band)= -0.234080 trlgG= -0.293919 logG= -0.029029 TDE= -0.171064 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216244 ETOT(band)= -0.232647 trlgG= -0.292217 logG= -0.028618 TDE= -0.171189 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.023889 logG= -0.028793 Density= 0.213844 ETOT(band)= -0.233993 trlgG= -0.293010 logG= -0.028793 TDE= -0.170793 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023201 logG= -0.028359 Density= 0.214919 ETOT(band)= -0.232941 trlgG= -0.291229 logG= -0.028359 TDE= -0.170619 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005423 tlogG= -0.023362 logG= -0.028784 Density= 0.215158 ETOT(band)= -0.233341 trlgG= -0.292724 logG= -0.028784 TDE= -0.170963 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001429 tlogG= -0.007968 logG= -0.009396 Density= 0.070887 ETOT(band)= -0.077943 trlgG= -0.097454 logG= -0.009396 TDE= -0.056962 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004286 tlogG= -0.024138 logG= -0.028424 Density= 0.212236 ETOT(band)= -0.234354 trlgG= -0.293687 logG= -0.028424 TDE= -0.170978 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004476 tlogG= -0.023593 logG= -0.028069 Density= 0.212681 ETOT(band)= -0.233974 trlgG= -0.292741 logG= -0.028069 TDE= -0.170695 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.006877 logG= -0.008455 Density= 0.040855 ETOT(band)= -0.042672 trlgG= -0.052801 logG= -0.008455 TDE= -0.056463 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001568 tlogG= -0.007590 logG= -0.009159 Density= 0.071515 ETOT(band)= -0.077343 trlgG= -0.096158 logG= -0.009159 TDE= -0.056738 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004420 tlogG= -0.023747 logG= -0.028167 Density= 0.213146 ETOT(band)= -0.233568 trlgG= -0.291768 logG= -0.028167 TDE= -0.170780 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001274 tlogG= -0.005941 logG= -0.007215 Density= 0.080850 ETOT(band)= -0.087643 trlgG= -0.110367 logG= -0.007215 TDE= -0.042866 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004590 tlogG= -0.023897 logG= -0.028487 Density= 0.213340 ETOT(band)= -0.233844 trlgG= -0.292497 logG= -0.028487 TDE= -0.170783 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001184 tlogG= -0.005173 logG= -0.006357 Density= 0.062556 ETOT(band)= -0.067540 trlgG= -0.084210 logG= -0.006357 TDE= -0.042360 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001270 tlogG= -0.005858 logG= -0.007127 Density= 0.080667 ETOT(band)= -0.087607 trlgG= -0.110169 logG= -0.007127 TDE= -0.042812 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022912 logG= -0.027867 Density= 0.214848 ETOT(band)= -0.232387 trlgG= -0.289699 logG= -0.027867 TDE= -0.170432 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001273 tlogG= -0.005986 logG= -0.007259 Density= 0.081078 ETOT(band)= -0.087546 trlgG= -0.110421 logG= -0.007259 TDE= -0.042896 logGD-logG0= -0.005211 tlogG= -0.024009 logG= -0.029221 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215735 ETOT(band)= -0.233844 trlgG= -0.294835 logG= -0.029221 TDE= -0.171578 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004936 tlogG= -0.022300 logG= -0.027235 Density= 0.214314 ETOT(band)= -0.232427 trlgG= -0.289451 logG= -0.027235 TDE= -0.170168 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005245 tlogG= -0.023807 logG= -0.029052 Density= 0.215385 ETOT(band)= -0.233750 trlgG= -0.294179 logG= -0.029052 TDE= -0.171426 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005239 tlogG= -0.023490 logG= -0.028729 Density= 0.215265 ETOT(band)= -0.233315 trlgG= -0.292916 logG= -0.028729 TDE= -0.171169 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.024008 logG= -0.029183 Density= 0.216401 ETOT(band)= -0.233328 trlgG= -0.294361 logG= -0.029183 TDE= -0.171596 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004759 tlogG= -0.024013 logG= -0.028772 Density= 0.321647 ETOT(band)= -0.351085 trlgG= -0.441348 logG= -0.028772 TDE= -0.171226 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.024130 logG= -0.029434 logGD-logG0= -0.005062 tlogG= -0.023852 logG= -0.028914 Density= 0.215546 ETOT(band)= -0.233746 trlgG= -0.294284 logG= -0.028914 TDE= -0.171114 Density= 0.215768 ETOT(band)= -0.234000 trlgG= -0.295250 logG= -0.029434 TDE= -0.171611 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010664 tlogG= -0.048056 logG= -0.058720 Density= 0.323322 ETOT(band)= -0.350966 trlgG= -0.442379 logG= -0.058720 TDE= -0.343024 logGD-logG0= -0.005005 tlogG= -0.024164 logG= -0.029169 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005168 tlogG= -0.023965 logG= -0.029133 Density= 0.214794 ETOT(band)= -0.234153 trlgG= -0.294535 logG= -0.029169 TDE= -0.171236 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216435 ETOT(band)= -0.233224 trlgG= -0.294128 logG= -0.029133 TDE= -0.171569 logGD-logG0= -0.001202 tlogG= -0.005309 logG= -0.006511 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081572 ETOT(band)= -0.085685 trlgG= -0.106217 logG= -0.006511 TDE= -0.042461 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005236 tlogG= -0.024091 logG= -0.029327 logGD-logG0= -0.010379 tlogG= -0.047803 logG= -0.058182 Density= 0.323138 ETOT(band)= -0.351174 trlgG= -0.442682 logG= -0.029327 TDE= -0.171424 Density= 0.324420 ETOT(band)= -0.349897 trlgG= -0.441039 logG= -0.058182 TDE= -0.343031 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004769 tlogG= -0.023252 logG= -0.028021 logGD-logG0= -0.004671 tlogG= -0.023375 logG= -0.028045 logGD-logG0= -0.010152 tlogG= -0.045645 logG= -0.055796 Density= 0.324113 ETOT(band)= -0.347930 trlgG= -0.434987 logG= -0.055796 TDE= -0.341458 logGD-logG0= -0.004564 tlogG= -0.023979 logG= -0.028543 Density= 0.212869 ETOT(band)= -0.234253 trlgG= -0.293489 logG= -0.028543 TDE= -0.170832 logGD-logG0= -0.004726 tlogG= -0.024014 logG= -0.028740 Density= 0.214176 ETOT(band)= -0.234070 trlgG= -0.294136 logG= -0.028740 TDE= -0.171231 logGD-logG0= -0.010426 tlogG= -0.047252 logG= -0.057677 Density= 0.324203 ETOT(band)= -0.349530 trlgG= -0.439691 logG= -0.057677 TDE= -0.342640 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.024170 logG= -0.029200 Density= 0.322519 ETOT(band)= -0.351200 trlgG= -0.442029 logG= -0.029200 TDE= -0.171232 Density= 0.321717 ETOT(band)= -0.350038 trlgG= -0.438773 logG= -0.028045 TDE= -0.170901 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005167 tlogG= -0.022976 logG= -0.028143 Density= 0.216270 ETOT(band)= -0.232073 trlgG= -0.290602 logG= -0.028143 TDE= -0.170902 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213557 ETOT(band)= -0.233598 trlgG= -0.292229 logG= -0.028021 TDE= -0.170745 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.046431 logG= -0.056854 Density= 0.324067 ETOT(band)= -0.348874 trlgG= -0.437605 logG= -0.056854 TDE= -0.342082 logGD-logG0= -0.005017 tlogG= -0.023252 logG= -0.028269 Density= 0.321783 ETOT(band)= -0.350544 trlgG= -0.439624 logG= -0.028269 TDE= -0.170855 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004821 tlogG= -0.023844 logG= -0.028664 Density= 0.213631 ETOT(band)= -0.234131 trlgG= -0.293745 logG= -0.028664 TDE= -0.171049 logGD-logG0= -0.009657 tlogG= -0.046620 logG= -0.056277 Density= 0.322781 ETOT(band)= -0.348995 trlgG= -0.436417 logG= -0.056277 TDE= -0.341611 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.007120 logG= -0.008809 Density= 0.072244 ETOT(band)= -0.076477 trlgG= -0.094847 logG= -0.008809 TDE= -0.056623 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005352 tlogG= -0.023906 logG= -0.029258 Density= 0.215695 ETOT(band)= -0.233747 trlgG= -0.294563 logG= -0.029258 TDE= -0.171434 logGD-logG0= -0.008931 tlogG= -0.048109 logG= -0.057040 Density= 0.425656 ETOT(band)= -0.468304 trlgG= -0.586465 logG= -0.057040 TDE= -0.341779 logGD-logG0= -0.005400 tlogG= -0.023692 logG= -0.029093 Density= 0.215458 ETOT(band)= -0.233599 trlgG= -0.293864 logG= -0.029093 TDE= -0.171257 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004639 tlogG= -0.023378 logG= -0.028017 Density= 0.214238 ETOT(band)= -0.233357 trlgG= -0.292343 logG= -0.028017 TDE= -0.170909 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009613 tlogG= -0.047854 logG= -0.057467 Density= 0.428148 ETOT(band)= -0.468124 trlgG= -0.587856 logG= -0.057467 TDE= -0.342267 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005337 tlogG= -0.023966 logG= -0.029303 Density= 0.323734 ETOT(band)= -0.350640 trlgG= -0.442125 logG= -0.029303 TDE= -0.171483 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010117 tlogG= -0.048163 logG= -0.058280 Density= 0.429407 ETOT(band)= -0.468239 trlgG= -0.588631 logG= -0.058280 TDE= -0.342313 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009423 tlogG= -0.046726 logG= -0.056149 Density= 0.428003 ETOT(band)= -0.466099 trlgG= -0.581858 logG= -0.056149 TDE= -0.341220 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010461 tlogG= -0.048086 logG= -0.058546 logGD-logG0= -0.010250 tlogG= -0.048236 logG= -0.058487 logGD-logG0= -0.009789 tlogG= -0.047868 logG= -0.057658 Density= 0.429242 ETOT(band)= -0.467902 trlgG= -0.587832 logG= -0.057658 TDE= -0.342254 Density= 0.430247 ETOT(band)= -0.468075 trlgG= -0.589073 logG= -0.058546 TDE= -0.342654 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430141 ETOT(band)= -0.468244 trlgG= -0.589401 logG= -0.058487 TDE= -0.342528 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047683 logG= -0.057910 Density= 0.428401 ETOT(band)= -0.468108 trlgG= -0.587189 logG= -0.057910 TDE= -0.341908 logGD-logG0= -0.005188 tlogG= -0.023770 logG= -0.028958 logGD-logG0= -0.004896 tlogG= -0.021309 logG= -0.026205 Density= 0.162680 ETOT(band)= -0.172980 trlgG= -0.215929 logG= -0.026205 TDE= -0.169882 logGD-logG0= -0.010286 tlogG= -0.047971 logG= -0.058257 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216324 ETOT(band)= -0.233026 trlgG= -0.293424 logG= -0.028958 TDE= -0.171428 Density= 0.429311 ETOT(band)= -0.468200 trlgG= -0.588276 logG= -0.058257 TDE= -0.342153 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004937 tlogG= -0.021214 logG= -0.026151 Density= 0.216389 ETOT(band)= -0.230031 trlgG= -0.285553 logG= -0.026151 TDE= -0.169802 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010630 tlogG= -0.047744 logG= -0.058374 Density= 0.430851 ETOT(band)= -0.467500 trlgG= -0.588362 logG= -0.058374 TDE= -0.342670 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009476 tlogG= -0.046622 logG= -0.056098 Density= 0.428207 ETOT(band)= -0.466821 trlgG= -0.584464 logG= -0.056098 TDE= -0.341636 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009577 tlogG= -0.047783 logG= -0.057359 Density= 0.427290 ETOT(band)= -0.467885 trlgG= -0.585840 logG= -0.057359 TDE= -0.341500 logGD-logG0= -0.010731 tlogG= -0.047709 logG= -0.058440 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431191 ETOT(band)= -0.467444 trlgG= -0.588722 logG= -0.058440 TDE= -0.342777 logGD-logG0= -0.009623 tlogG= -0.047664 logG= -0.057287 Density= 0.426789 ETOT(band)= -0.468334 trlgG= -0.586987 logG= -0.057287 TDE= -0.341798 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010290 tlogG= -0.046945 logG= -0.057235 Density= 0.429982 ETOT(band)= -0.466448 trlgG= -0.584236 logG= -0.057235 TDE= -0.341622 logGD-logG0= -0.004823 tlogG= -0.022335 logG= -0.027158 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322946 ETOT(band)= -0.347964 trlgG= -0.434029 logG= -0.027158 TDE= -0.170249 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009905 tlogG= -0.046415 logG= -0.056321 Density= 0.429634 ETOT(band)= -0.465533 trlgG= -0.581538 logG= -0.056321 TDE= -0.341332 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009970 tlogG= -0.047574 logG= -0.057544 Density= 0.428716 ETOT(band)= -0.467453 trlgG= -0.586230 logG= -0.057544 TDE= -0.341952 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010689 tlogG= -0.047283 logG= -0.057972 Density= 0.430582 ETOT(band)= -0.467075 trlgG= -0.586890 logG= -0.057972 TDE= -0.342286 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001222 tlogG= -0.005470 logG= -0.006692 Density= 0.081216 ETOT(band)= -0.086352 trlgG= -0.107376 logG= -0.006692 TDE= -0.042573 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005068 tlogG= -0.021888 logG= -0.026955 Density= 0.216668 ETOT(band)= -0.230279 trlgG= -0.286502 logG= -0.026955 TDE= -0.170227 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010214 tlogG= -0.047585 logG= -0.057799 Density= 0.430112 ETOT(band)= -0.467095 trlgG= -0.586166 logG= -0.057799 TDE= -0.342067 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010655 tlogG= -0.048034 logG= -0.058689 Density= 0.431431 ETOT(band)= -0.467726 trlgG= -0.589716 logG= -0.058689 TDE= -0.343042 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.044637 logG= -0.054581 Density= 0.324353 ETOT(band)= -0.346662 trlgG= -0.431978 logG= -0.054581 TDE= -0.340780 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.021359 logG= -0.026338 Density= 0.217060 ETOT(band)= -0.229172 trlgG= -0.284298 logG= -0.026338 TDE= -0.169895 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004782 tlogG= -0.022334 logG= -0.027117 Density= 0.215079 ETOT(band)= -0.231941 trlgG= -0.289100 logG= -0.027117 TDE= -0.170254 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004905 tlogG= -0.022480 logG= -0.027385 Density= 0.215073 ETOT(band)= -0.231652 trlgG= -0.288056 logG= -0.027385 TDE= -0.170181 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009792 tlogG= -0.044640 logG= -0.054432 Density= 0.431699 ETOT(band)= -0.462065 trlgG= -0.574764 logG= -0.054432 TDE= -0.340417 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.801843821901 eV TrLogG= -407.317808763449 eV Ratio to renormalize= 0.999790877406 rho-rho_expected= 0.004601659375 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964562858218281 0.940234687172653 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001484 tlogG= -0.007810 logG= -0.009294 Density= 0.035500 ETOT(band)= -0.038913 trlgG= -0.048594 logG= -0.009294 TDE= -0.056867 logGD-logG0= -0.001403 tlogG= -0.008043 logG= -0.009446 Density= 0.035322 ETOT(band)= -0.039063 trlgG= -0.048958 logG= -0.009446 TDE= -0.056990 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004315 tlogG= -0.024049 logG= -0.028364 Density= 0.106143 ETOT(band)= -0.117126 trlgG= -0.146747 logG= -0.028364 TDE= -0.170908 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.022406 logG= -0.027415 logGD-logG0= -0.002323 tlogG= -0.011882 logG= -0.014205 Density= 0.053571 ETOT(band)= -0.058384 trlgG= -0.073247 logG= -0.014205 TDE= -0.085552 Density= 0.107651 ETOT(band)= -0.115932 trlgG= -0.144411 logG= -0.027415 TDE= -0.170267 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002401 tlogG= -0.010425 logG= -0.012826 Density= 0.054383 ETOT(band)= -0.057059 trlgG= -0.070683 logG= -0.012826 TDE= -0.084768 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004538 tlogG= -0.024044 logG= -0.028582 Density= 0.106412 ETOT(band)= -0.117116 trlgG= -0.146758 logG= -0.028582 TDE= -0.170834 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001048 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005851 logG= -0.001048 TDE= -0.007051 logGD-logG0= -0.002600 tlogG= -0.012031 logG= -0.014631 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053771 ETOT(band)= -0.058518 trlgG= -0.073667 logG= -0.014631 TDE= -0.085644 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.007304 logG= -0.008993 Density= 0.035850 ETOT(band)= -0.038565 trlgG= -0.047899 logG= -0.008993 TDE= -0.056647 logGD-logG0= -0.005029 tlogG= -0.022732 logG= -0.027760 logGD-logG0= -0.005282 tlogG= -0.023682 logG= -0.028964 Density= 0.107249 ETOT(band)= -0.116969 trlgG= -0.146810 logG= -0.028964 TDE= -0.170919 logGD-logG0= -0.005094 tlogG= -0.023213 logG= -0.028307 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108261 ETOT(band)= -0.115844 trlgG= -0.144970 logG= -0.027760 TDE= -0.170783 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108206 ETOT(band)= -0.116174 trlgG= -0.145837 logG= -0.028307 TDE= -0.171075 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005107 tlogG= -0.022874 logG= -0.027980 Density= 0.107632 ETOT(band)= -0.116266 trlgG= -0.145306 logG= -0.027980 TDE= -0.170588 logGD-logG0= -0.004704 tlogG= -0.023684 logG= -0.028388 Density= 0.106996 ETOT(band)= -0.116807 trlgG= -0.146450 logG= -0.028388 TDE= -0.171009 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002331 tlogG= -0.011447 logG= -0.013777 Density= 0.053745 ETOT(band)= -0.058054 trlgG= -0.072484 logG= -0.013777 TDE= -0.085302 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005297 tlogG= -0.023195 logG= -0.028492 Density= 0.107698 ETOT(band)= -0.116514 trlgG= -0.146116 logG= -0.028492 TDE= -0.170918 logGD-logG0= -0.005143 tlogG= -0.023427 logG= -0.028571 Density= 0.108143 ETOT(band)= -0.116350 trlgG= -0.146255 logG= -0.028571 TDE= -0.171199 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002418 tlogG= -0.012081 logG= -0.014499 Density= 0.053593 ETOT(band)= -0.058528 trlgG= -0.073609 logG= -0.014499 TDE= -0.085631 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.022980 logG= -0.028081 Density= 0.108148 ETOT(band)= -0.116080 trlgG= -0.145481 logG= -0.028081 TDE= -0.170916 logGD-logG0= -0.002558 tlogG= -0.011982 logG= -0.014540 logGD-logG0= -0.005033 tlogG= -0.022455 logG= -0.027488 Density= 0.054143 ETOT(band)= -0.058282 trlgG= -0.073533 logG= -0.014540 TDE= -0.085785 Density= 0.108216 ETOT(band)= -0.115707 trlgG= -0.144534 logG= -0.027488 TDE= -0.170597 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.023947 logG= -0.029083 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108240 ETOT(band)= -0.116587 trlgG= -0.147070 logG= -0.029083 TDE= -0.171550 logGD-logG0= -0.004342 tlogG= -0.023972 logG= -0.028314 Density= 0.106195 ETOT(band)= -0.117083 trlgG= -0.146634 logG= -0.028314 TDE= -0.170871 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004950 tlogG= -0.022168 logG= -0.027118 Density= 0.108371 ETOT(band)= -0.115402 trlgG= -0.143927 logG= -0.027118 TDE= -0.170436 logGD-logG0= -0.005274 tlogG= -0.024069 logG= -0.029344 Density= 0.107658 ETOT(band)= -0.117037 trlgG= -0.147480 logG= -0.029344 TDE= -0.171411 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004617 tlogG= -0.023203 logG= -0.027820 Density= 0.106758 ETOT(band)= -0.116586 trlgG= -0.145430 logG= -0.027820 TDE= -0.170439 logGD-logG0= -0.004860 tlogG= -0.022848 logG= -0.027708 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107763 ETOT(band)= -0.116061 trlgG= -0.144895 logG= -0.027708 TDE= -0.170514 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004900 tlogG= -0.021563 logG= -0.026463 Density= 0.108524 ETOT(band)= -0.114852 trlgG= -0.142800 logG= -0.026463 TDE= -0.170041 logGD-logG0= -0.005225 tlogG= -0.023965 logG= -0.029190 logGD-logG0= -0.005148 tlogG= -0.023761 logG= -0.028909 Density= 0.107461 ETOT(band)= -0.117022 trlgG= -0.147206 logG= -0.029190 TDE= -0.171193 Density= 0.108190 ETOT(band)= -0.116512 trlgG= -0.146791 logG= -0.028909 TDE= -0.171420 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.023686 logG= -0.028512 logGD-logG0= -0.005286 tlogG= -0.024083 logG= -0.029370 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107396 ETOT(band)= -0.116690 trlgG= -0.146361 logG= -0.028512 TDE= -0.170994 logGD-logG0= -0.004992 tlogG= -0.023642 logG= -0.028634 Density= 0.106998 ETOT(band)= -0.116897 trlgG= -0.146259 logG= -0.028634 TDE= -0.170573 logGD-logG0= -0.005319 tlogG= -0.024129 logG= -0.029448 Density= 0.107825 ETOT(band)= -0.117033 trlgG= -0.147670 logG= -0.029448 TDE= -0.171579 Density= 0.107902 ETOT(band)= -0.116946 trlgG= -0.147545 logG= -0.029370 TDE= -0.171571 logGD-logG0= -0.005125 tlogG= -0.023602 logG= -0.028727 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.023868 logG= -0.028991 Density= 0.108216 ETOT(band)= -0.116397 trlgG= -0.146500 logG= -0.028727 TDE= -0.171323 logGD-logG0= -0.004704 tlogG= -0.022987 logG= -0.027691 Density= 0.106893 ETOT(band)= -0.116456 trlgG= -0.145169 logG= -0.027691 TDE= -0.170373 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004673 tlogG= -0.023667 logG= -0.028340 Density= 0.106620 ETOT(band)= -0.116923 trlgG= -0.146343 logG= -0.028340 TDE= -0.170763 Density= 0.108261 ETOT(band)= -0.116523 trlgG= -0.146921 logG= -0.028991 TDE= -0.171503 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.024090 logG= -0.029080 Density= 0.107397 ETOT(band)= -0.117001 trlgG= -0.147102 logG= -0.029080 TDE= -0.171168 logGD-logG0= -0.005307 tlogG= -0.023901 logG= -0.029208 Density= 0.107766 ETOT(band)= -0.116904 trlgG= -0.147266 logG= -0.029208 TDE= -0.171386 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004897 tlogG= -0.023892 logG= -0.028789 Density= 0.106778 ETOT(band)= -0.117078 trlgG= -0.146870 logG= -0.028789 TDE= -0.170921 logGD-logG0= -0.002627 tlogG= -0.011986 logG= -0.014613 logGD-logG0= -0.004877 tlogG= -0.024066 logG= -0.028943 Density= 0.107076 ETOT(band)= -0.117061 trlgG= -0.147126 logG= -0.028943 TDE= -0.171170 Density= 0.053990 ETOT(band)= -0.058402 trlgG= -0.073653 logG= -0.014613 TDE= -0.085757 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004737 tlogG= -0.022850 logG= -0.027587 Density= 0.107316 ETOT(band)= -0.116204 trlgG= -0.145019 logG= -0.027587 TDE= -0.170538 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004728 tlogG= -0.023498 logG= -0.028227 Density= 0.106795 ETOT(band)= -0.116777 trlgG= -0.145915 logG= -0.028227 TDE= -0.170536 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009775 tlogG= -0.048239 logG= -0.058014 Density= 0.214439 ETOT(band)= -0.234081 trlgG= -0.294329 logG= -0.058014 TDE= -0.342430 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.021816 logG= -0.026881 Density= 0.107804 ETOT(band)= -0.115505 trlgG= -0.143537 logG= -0.026881 TDE= -0.170003 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005272 tlogG= -0.023867 logG= -0.029139 Density= 0.107929 ETOT(band)= -0.116773 trlgG= -0.147161 logG= -0.029139 TDE= -0.171431 logGD-logG0= -0.005261 tlogG= -0.024055 logG= -0.029316 logGD-logG0= -0.009464 tlogG= -0.045756 logG= -0.055220 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107960 ETOT(band)= -0.116879 trlgG= -0.147457 logG= -0.029316 TDE= -0.171566 Density= 0.215053 ETOT(band)= -0.232243 trlgG= -0.289942 logG= -0.055220 TDE= -0.341141 logGD-logG0= -0.009743 tlogG= -0.045586 logG= -0.055329 Density= 0.214402 ETOT(band)= -0.232591 trlgG= -0.290117 logG= -0.055329 TDE= -0.340885 logGD-logG0= -0.005310 tlogG= -0.023576 logG= -0.028886 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009096 tlogG= -0.047628 logG= -0.056724 Density= 0.107815 ETOT(band)= -0.116676 trlgG= -0.146746 logG= -0.028886 TDE= -0.171212 logGD-logG0= -0.009642 tlogG= -0.047154 logG= -0.056796 Density= 0.212973 ETOT(band)= -0.233968 trlgG= -0.292819 logG= -0.056724 TDE= -0.341484 Density= 0.213809 ETOT(band)= -0.233672 trlgG= -0.292751 logG= -0.056796 TDE= -0.341758 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.047895 logG= -0.057816 logGD-logG0= -0.009798 tlogG= -0.047154 logG= -0.056952 Density= 0.213819 ETOT(band)= -0.233717 trlgG= -0.292543 logG= -0.056952 TDE= -0.341400 Density= 0.214009 ETOT(band)= -0.234118 trlgG= -0.294015 logG= -0.057816 TDE= -0.342102 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010452 tlogG= -0.048078 logG= -0.058530 Density= 0.215104 ETOT(band)= -0.234062 trlgG= -0.294677 logG= -0.058530 TDE= -0.342591 logGD-logG0= -0.010497 tlogG= -0.047743 logG= -0.058240 Density= 0.214792 ETOT(band)= -0.234007 trlgG= -0.294165 logG= -0.058240 TDE= -0.342214 logGD-logG0= -0.009524 tlogG= -0.047929 logG= -0.057453 Density= 0.213317 ETOT(band)= -0.234179 trlgG= -0.293463 logG= -0.057453 TDE= -0.341570 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001623 tlogG= -0.006991 logG= -0.008614 logGD-logG0= -0.010300 tlogG= -0.047977 logG= -0.058277 Density= 0.036200 ETOT(band)= -0.038118 trlgG= -0.047240 logG= -0.008614 TDE= -0.056539 logGD-logG0= -0.009847 tlogG= -0.045646 logG= -0.055494 Density= 0.215184 ETOT(band)= -0.232320 trlgG= -0.289935 logG= -0.055494 TDE= -0.340925 logGD-logG0= -0.010533 tlogG= -0.048012 logG= -0.058545 Density= 0.215141 ETOT(band)= -0.234053 trlgG= -0.294704 logG= -0.058545 TDE= -0.342621 Density= 0.215107 ETOT(band)= -0.233917 trlgG= -0.294260 logG= -0.058277 TDE= -0.342429 logGD-logG0= -0.010361 tlogG= -0.047783 logG= -0.058144 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214692 ETOT(band)= -0.234001 trlgG= -0.293995 logG= -0.058144 TDE= -0.342091 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010521 tlogG= -0.047935 logG= -0.058455 Density= 0.215925 ETOT(band)= -0.233629 trlgG= -0.294616 logG= -0.058455 TDE= -0.343011 logGD-logG0= -0.010044 tlogG= -0.048025 logG= -0.058069 logGD-logG0= -0.010595 tlogG= -0.047522 logG= -0.058117 Density= 0.215730 ETOT(band)= -0.233512 trlgG= -0.294053 logG= -0.058117 TDE= -0.342690 Density= 0.214568 ETOT(band)= -0.234029 trlgG= -0.294079 logG= -0.058069 TDE= -0.342189 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010385 tlogG= -0.047308 logG= -0.057693 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214300 ETOT(band)= -0.233900 trlgG= -0.293245 logG= -0.057693 TDE= -0.341599 logGD-logG0= -0.010159 tlogG= -0.047657 logG= -0.057816 logGD-logG0= -0.010159 tlogG= -0.046410 logG= -0.056569 Density= 0.213990 ETOT(band)= -0.234105 trlgG= -0.293768 logG= -0.057816 TDE= -0.341844 Density= 0.215249 ETOT(band)= -0.232883 trlgG= -0.291567 logG= -0.056569 TDE= -0.341514 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010575 tlogG= -0.047883 logG= -0.058458 Density= 0.215797 ETOT(band)= -0.233701 trlgG= -0.294617 logG= -0.058458 TDE= -0.342946 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.048144 logG= -0.058789 Density= 0.215455 ETOT(band)= -0.234080 trlgG= -0.295142 logG= -0.058789 TDE= -0.342971 logGD-logG0= -0.002461 tlogG= -0.010840 logG= -0.013301 Density= 0.054070 ETOT(band)= -0.057576 trlgG= -0.071527 logG= -0.013301 TDE= -0.084983 logGD-logG0= -0.010598 tlogG= -0.046878 logG= -0.057475 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010555 tlogG= -0.047420 logG= -0.057975 Density= 0.215461 ETOT(band)= -0.233274 trlgG= -0.293011 logG= -0.057475 TDE= -0.342157 logGD-logG0= -0.009770 tlogG= -0.047220 logG= -0.056990 Density= 0.215499 ETOT(band)= -0.233551 trlgG= -0.293811 logG= -0.057975 TDE= -0.342476 Density= 0.214515 ETOT(band)= -0.233467 trlgG= -0.292659 logG= -0.056990 TDE= -0.341821 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010071 tlogG= -0.047150 logG= -0.057220 Density= 0.215184 ETOT(band)= -0.233284 trlgG= -0.292583 logG= -0.057220 TDE= -0.341847 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004986 tlogG= -0.021873 logG= -0.026859 Density= 0.108335 ETOT(band)= -0.115218 trlgG= -0.143479 logG= -0.026859 TDE= -0.170229 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004819 tlogG= -0.020988 logG= -0.025807 Density= 0.108720 ETOT(band)= -0.114265 trlgG= -0.141645 logG= -0.025807 TDE= -0.169637 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009414 tlogG= -0.047443 logG= -0.056857 Density= 0.214350 ETOT(band)= -0.233505 trlgG= -0.292884 logG= -0.056857 TDE= -0.342098 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.021693 logG= -0.026699 Density= 0.107946 ETOT(band)= -0.115313 trlgG= -0.143229 logG= -0.026699 TDE= -0.169947 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010007 tlogG= -0.043386 logG= -0.053393 Density= 0.216304 ETOT(band)= -0.230417 trlgG= -0.286435 logG= -0.053393 TDE= -0.340080 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001429 tlogG= -0.007965 logG= -0.009394 Density= 0.070884 ETOT(band)= -0.077926 trlgG= -0.097430 logG= -0.009394 TDE= -0.056952 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001185 tlogG= -0.005171 logG= -0.006356 Density= 0.062552 ETOT(band)= -0.067527 trlgG= -0.084191 logG= -0.006356 TDE= -0.042353 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001256 tlogG= -0.005747 logG= -0.007004 Density= 0.080649 ETOT(band)= -0.087375 trlgG= -0.109590 logG= -0.007004 TDE= -0.042739 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001569 tlogG= -0.007588 logG= -0.009157 Density= 0.071510 ETOT(band)= -0.077328 trlgG= -0.096136 logG= -0.009157 TDE= -0.056727 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005307 logG= -0.006510 Density= 0.081565 ETOT(band)= -0.085669 trlgG= -0.106196 logG= -0.006510 TDE= -0.042454 logGD-logG0= -0.004289 tlogG= -0.024129 logG= -0.028418 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212225 ETOT(band)= -0.234302 trlgG= -0.293617 logG= -0.028418 TDE= -0.170947 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005619 logG= -0.006855 Density= 0.080849 ETOT(band)= -0.086947 trlgG= -0.108589 logG= -0.006855 TDE= -0.042663 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.022904 logG= -0.027861 Density= 0.214833 ETOT(band)= -0.232341 trlgG= -0.289635 logG= -0.027861 TDE= -0.170402 logGD-logG0= -0.004566 tlogG= -0.023971 logG= -0.028537 Density= 0.212856 ETOT(band)= -0.234203 trlgG= -0.293422 logG= -0.028537 TDE= -0.170801 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023954 logG= -0.029022 logGD-logG0= -0.005172 tlogG= -0.022965 logG= -0.028138 Density= 0.216252 ETOT(band)= -0.232030 trlgG= -0.290540 logG= -0.028138 TDE= -0.170872 Density= 0.214378 ETOT(band)= -0.234033 trlgG= -0.293853 logG= -0.029022 TDE= -0.171033 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005938 logG= -0.007214 Density= 0.080843 ETOT(band)= -0.087626 trlgG= -0.110343 logG= -0.007214 TDE= -0.042859 logGD-logG0= -0.005110 tlogG= -0.022438 logG= -0.027548 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216397 ETOT(band)= -0.231233 trlgG= -0.288556 logG= -0.027548 TDE= -0.170538 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004643 tlogG= -0.023368 logG= -0.028011 logGD-logG0= -0.004905 tlogG= -0.023882 logG= -0.028787 Density= 0.213829 ETOT(band)= -0.233945 trlgG= -0.292942 logG= -0.028787 TDE= -0.170762 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214224 ETOT(band)= -0.233310 trlgG= -0.292277 logG= -0.028011 TDE= -0.170878 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004773 tlogG= -0.023242 logG= -0.028015 Density= 0.213543 ETOT(band)= -0.233549 trlgG= -0.292161 logG= -0.028015 TDE= -0.170714 logGD-logG0= -0.005159 tlogG= -0.023194 logG= -0.028353 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214903 ETOT(band)= -0.232896 trlgG= -0.291164 logG= -0.028353 TDE= -0.170588 logGD-logG0= -0.004730 tlogG= -0.024004 logG= -0.028734 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214160 ETOT(band)= -0.234023 trlgG= -0.294069 logG= -0.028734 TDE= -0.171200 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.023833 logG= -0.028658 Density= 0.213616 ETOT(band)= -0.234083 trlgG= -0.293678 logG= -0.028658 TDE= -0.171018 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005425 tlogG= -0.023354 logG= -0.028779 Density= 0.215141 ETOT(band)= -0.233296 trlgG= -0.292659 logG= -0.028779 TDE= -0.170932 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001271 tlogG= -0.005855 logG= -0.007126 Density= 0.080661 ETOT(band)= -0.087590 trlgG= -0.110145 logG= -0.007126 TDE= -0.042804 logGD-logG0= -0.005200 tlogG= -0.023412 logG= -0.028612 Density= 0.216225 ETOT(band)= -0.232604 trlgG= -0.292155 logG= -0.028612 TDE= -0.171159 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005218 tlogG= -0.023998 logG= -0.029215 Density= 0.215716 ETOT(band)= -0.233800 trlgG= -0.294771 logG= -0.029215 TDE= -0.171547 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.022472 logG= -0.027379 Density= 0.215058 ETOT(band)= -0.231606 trlgG= -0.287992 logG= -0.027379 TDE= -0.170150 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001223 tlogG= -0.005468 logG= -0.006690 Density= 0.081209 ETOT(band)= -0.086336 trlgG= -0.107353 logG= -0.006690 TDE= -0.042565 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005251 tlogG= -0.023796 logG= -0.029047 Density= 0.215366 ETOT(band)= -0.233705 trlgG= -0.294115 logG= -0.029047 TDE= -0.171395 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.023482 logG= -0.028724 Density= 0.215248 ETOT(band)= -0.233269 trlgG= -0.292852 logG= -0.028724 TDE= -0.171138 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004787 tlogG= -0.022325 logG= -0.027112 Density= 0.215064 ETOT(band)= -0.231895 trlgG= -0.289036 logG= -0.027112 TDE= -0.170224 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004763 tlogG= -0.024003 logG= -0.028766 Density= 0.321623 ETOT(band)= -0.351015 trlgG= -0.441250 logG= -0.028766 TDE= -0.171195 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.023996 logG= -0.029177 Density= 0.216381 ETOT(band)= -0.233286 trlgG= -0.294299 logG= -0.029177 TDE= -0.171565 logGD-logG0= -0.001274 tlogG= -0.005983 logG= -0.007257 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081071 ETOT(band)= -0.087530 trlgG= -0.110397 logG= -0.007257 TDE= -0.042889 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.023843 logG= -0.028909 Density= 0.215527 ETOT(band)= -0.233701 trlgG= -0.294219 logG= -0.028909 TDE= -0.171082 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005073 tlogG= -0.021878 logG= -0.026950 Density= 0.216651 ETOT(band)= -0.230236 trlgG= -0.286442 logG= -0.026950 TDE= -0.170198 logGD-logG0= -0.004423 tlogG= -0.023738 logG= -0.028160 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005034 tlogG= -0.024160 logG= -0.029194 Density= 0.322492 ETOT(band)= -0.351132 trlgG= -0.441931 logG= -0.029194 TDE= -0.171201 Density= 0.213134 ETOT(band)= -0.233519 trlgG= -0.291699 logG= -0.028160 TDE= -0.170749 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.047229 logG= -0.057667 Density= 0.324174 ETOT(band)= -0.349465 trlgG= -0.439597 logG= -0.057667 TDE= -0.342578 logGD-logG0= -0.004478 tlogG= -0.023584 logG= -0.028062 Density= 0.212669 ETOT(band)= -0.233924 trlgG= -0.292672 logG= -0.028062 TDE= -0.170664 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.024154 logG= -0.029163 Density= 0.214777 ETOT(band)= -0.234107 trlgG= -0.294470 logG= -0.029163 TDE= -0.171206 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005310 tlogG= -0.024118 logG= -0.029428 Density= 0.215748 ETOT(band)= -0.233956 trlgG= -0.295185 logG= -0.029428 TDE= -0.171579 logGD-logG0= -0.010158 tlogG= -0.045628 logG= -0.055786 Density= 0.324087 ETOT(band)= -0.347865 trlgG= -0.434893 logG= -0.055786 TDE= -0.341398 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023953 logG= -0.029128 Density= 0.216414 ETOT(band)= -0.233182 trlgG= -0.294067 logG= -0.029128 TDE= -0.171538 logGD-logG0= -0.001580 tlogG= -0.006874 logG= -0.008453 Density= 0.040851 ETOT(band)= -0.042665 trlgG= -0.052791 logG= -0.008453 TDE= -0.056454 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010434 tlogG= -0.046409 logG= -0.056843 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005194 tlogG= -0.023759 logG= -0.028953 Density= 0.324039 ETOT(band)= -0.348808 trlgG= -0.437511 logG= -0.056843 TDE= -0.342021 Density= 0.216305 ETOT(band)= -0.232983 trlgG= -0.293362 logG= -0.028953 TDE= -0.171397 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.048036 logG= -0.058708 Density= 0.323294 ETOT(band)= -0.350899 trlgG= -0.442281 logG= -0.058708 TDE= -0.342961 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010392 tlogG= -0.047780 logG= -0.058171 Density= 0.324390 ETOT(band)= -0.349833 trlgG= -0.440946 logG= -0.058171 TDE= -0.342970 logGD-logG0= -0.005239 tlogG= -0.024082 logG= -0.029321 Density= 0.323109 ETOT(band)= -0.351107 trlgG= -0.442583 logG= -0.029321 TDE= -0.171393 logGD-logG0= -0.004592 tlogG= -0.023888 logG= -0.028480 Density= 0.213327 ETOT(band)= -0.233796 trlgG= -0.292431 logG= -0.028480 TDE= -0.170753 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.046601 logG= -0.056265 Density= 0.322757 ETOT(band)= -0.348927 trlgG= -0.436322 logG= -0.056265 TDE= -0.341551 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005343 tlogG= -0.023954 logG= -0.029297 Density= 0.323705 ETOT(band)= -0.350574 trlgG= -0.442029 logG= -0.029297 TDE= -0.171451 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005020 tlogG= -0.023243 logG= -0.028263 Density= 0.321759 ETOT(band)= -0.350475 trlgG= -0.439526 logG= -0.028263 TDE= -0.170825 logGD-logG0= -0.005358 tlogG= -0.023894 logG= -0.029253 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215676 ETOT(band)= -0.233703 trlgG= -0.294499 logG= -0.029253 TDE= -0.171403 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009427 tlogG= -0.046710 logG= -0.056137 Density= 0.427976 ETOT(band)= -0.466004 trlgG= -0.581725 logG= -0.056137 TDE= -0.341159 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008935 tlogG= -0.048092 logG= -0.057027 Density= 0.425631 ETOT(band)= -0.468204 trlgG= -0.586329 logG= -0.057027 TDE= -0.341718 logGD-logG0= -0.009621 tlogG= -0.047834 logG= -0.057455 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428118 ETOT(band)= -0.468029 trlgG= -0.587724 logG= -0.057455 TDE= -0.342205 logGD-logG0= -0.005406 tlogG= -0.023680 logG= -0.029087 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215439 ETOT(band)= -0.233554 trlgG= -0.293800 logG= -0.029087 TDE= -0.171226 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010124 tlogG= -0.048144 logG= -0.058268 logGD-logG0= -0.010233 tlogG= -0.047665 logG= -0.057897 Density= 0.428369 ETOT(band)= -0.468015 trlgG= -0.587057 logG= -0.057897 TDE= -0.341846 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429373 ETOT(band)= -0.468147 trlgG= -0.588499 logG= -0.058268 TDE= -0.342252 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010743 tlogG= -0.047686 logG= -0.058428 logGD-logG0= -0.010292 tlogG= -0.047952 logG= -0.058245 Density= 0.431153 ETOT(band)= -0.467355 trlgG= -0.588594 logG= -0.058428 TDE= -0.342715 Density= 0.429277 ETOT(band)= -0.468108 trlgG= -0.588143 logG= -0.058245 TDE= -0.342091 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009484 tlogG= -0.046602 logG= -0.056087 Density= 0.428178 ETOT(band)= -0.466726 trlgG= -0.584331 logG= -0.056087 TDE= -0.341575 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009579 tlogG= -0.047767 logG= -0.057347 logGD-logG0= -0.010257 tlogG= -0.048218 logG= -0.058474 Density= 0.427262 ETOT(band)= -0.467789 trlgG= -0.585706 logG= -0.057347 TDE= -0.341438 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430104 ETOT(band)= -0.468154 trlgG= -0.589268 logG= -0.058474 TDE= -0.342465 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.023365 logG= -0.028040 logGD-logG0= -0.009913 tlogG= -0.046396 logG= -0.056309 Density= 0.321694 ETOT(band)= -0.349967 trlgG= -0.438674 logG= -0.028040 TDE= -0.170870 logGD-logG0= -0.004901 tlogG= -0.021300 logG= -0.026201 Density= 0.162666 ETOT(band)= -0.172948 trlgG= -0.215884 logG= -0.026201 TDE= -0.169853 logGD-logG0= -0.010467 tlogG= -0.048068 logG= -0.058534 Density= 0.429604 ETOT(band)= -0.465440 trlgG= -0.581409 logG= -0.056309 TDE= -0.341271 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430210 ETOT(band)= -0.467984 trlgG= -0.588941 logG= -0.058534 TDE= -0.342591 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009797 tlogG= -0.047849 logG= -0.057646 logGD-logG0= -0.009625 tlogG= -0.047649 logG= -0.057274 Density= 0.426761 ETOT(band)= -0.468237 trlgG= -0.586850 logG= -0.057274 TDE= -0.341736 Density= 0.429209 ETOT(band)= -0.467810 trlgG= -0.587703 logG= -0.057646 TDE= -0.342193 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010667 tlogG= -0.048011 logG= -0.058678 Density= 0.431392 ETOT(band)= -0.467638 trlgG= -0.589587 logG= -0.058678 TDE= -0.342979 logGD-logG0= -0.010296 tlogG= -0.046927 logG= -0.057223 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429949 ETOT(band)= -0.466357 trlgG= -0.584106 logG= -0.057223 TDE= -0.341559 logGD-logG0= -0.010635 tlogG= -0.047727 logG= -0.058362 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430814 ETOT(band)= -0.467410 trlgG= -0.588232 logG= -0.058362 TDE= -0.342608 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009977 tlogG= -0.047554 logG= -0.057531 Density= 0.428684 ETOT(band)= -0.467360 trlgG= -0.586099 logG= -0.057531 TDE= -0.341891 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010695 tlogG= -0.047265 logG= -0.057960 Density= 0.430546 ETOT(band)= -0.466986 trlgG= -0.586760 logG= -0.057960 TDE= -0.342224 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010220 tlogG= -0.047567 logG= -0.057787 Density= 0.430077 ETOT(band)= -0.467004 trlgG= -0.586035 logG= -0.057787 TDE= -0.342004 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004827 tlogG= -0.022325 logG= -0.027152 Density= 0.322923 ETOT(band)= -0.347896 trlgG= -0.433933 logG= -0.027152 TDE= -0.170219 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009951 tlogG= -0.044619 logG= -0.054570 Density= 0.324328 ETOT(band)= -0.346596 trlgG= -0.431886 logG= -0.054570 TDE= -0.340721 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001691 tlogG= -0.007116 logG= -0.008807 Density= 0.072238 ETOT(band)= -0.076463 trlgG= -0.094827 logG= -0.008807 TDE= -0.056614 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004940 tlogG= -0.022290 logG= -0.027230 Density= 0.214301 ETOT(band)= -0.232380 trlgG= -0.289385 logG= -0.027230 TDE= -0.170137 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004984 tlogG= -0.021349 logG= -0.026333 Density= 0.217043 ETOT(band)= -0.229129 trlgG= -0.284240 logG= -0.026333 TDE= -0.169866 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009800 tlogG= -0.044621 logG= -0.054421 Density= 0.431667 ETOT(band)= -0.461975 trlgG= -0.574641 logG= -0.054421 TDE= -0.340357 logGD-logG0= -0.004942 tlogG= -0.021204 logG= -0.026147 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216373 ETOT(band)= -0.229987 trlgG= -0.285493 logG= -0.026147 TDE= -0.169773 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.738189969146 eV TrLogG= -407.216184471966 eV Ratio to renormalize= 0.999868062913 rho-rho_expected= 0.002902998936 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 98 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 66 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964561227768629 0.940211134106820 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005851 logG= -0.001048 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002331 tlogG= -0.011445 logG= -0.013776 Density= 0.053744 ETOT(band)= -0.058050 trlgG= -0.072478 logG= -0.013776 TDE= -0.085297 logGD-logG0= -0.002324 tlogG= -0.011881 logG= -0.014204 Density= 0.053570 ETOT(band)= -0.058380 trlgG= -0.073241 logG= -0.014204 TDE= -0.085546 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002601 tlogG= -0.012030 logG= -0.014630 Density= 0.053769 ETOT(band)= -0.058514 trlgG= -0.073662 logG= -0.014630 TDE= -0.085639 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002419 tlogG= -0.012079 logG= -0.014498 Density= 0.053592 ETOT(band)= -0.058524 trlgG= -0.073604 logG= -0.014498 TDE= -0.085626 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001484 tlogG= -0.007809 logG= -0.009294 Density= 0.035499 ETOT(band)= -0.038910 trlgG= -0.048590 logG= -0.009294 TDE= -0.056863 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002559 tlogG= -0.011981 logG= -0.014540 logGD-logG0= -0.005145 tlogG= -0.023424 logG= -0.028569 Density= 0.054142 ETOT(band)= -0.058278 trlgG= -0.073528 logG= -0.014540 TDE= -0.085780 Density= 0.108140 ETOT(band)= -0.116343 trlgG= -0.146245 logG= -0.028569 TDE= -0.171189 logGD-logG0= -0.005275 tlogG= -0.024067 logG= -0.029342 Density= 0.107655 ETOT(band)= -0.117029 trlgG= -0.147469 logG= -0.029342 TDE= -0.171400 logGD-logG0= -0.005035 tlogG= -0.022452 logG= -0.027487 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023943 logG= -0.029081 logGD-logG0= -0.005151 tlogG= -0.023757 logG= -0.028908 Density= 0.108186 ETOT(band)= -0.116505 trlgG= -0.146781 logG= -0.028908 TDE= -0.171409 Density= 0.108213 ETOT(band)= -0.115700 trlgG= -0.144524 logG= -0.027487 TDE= -0.170586 Density= 0.108237 ETOT(band)= -0.116580 trlgG= -0.147059 logG= -0.029081 TDE= -0.171539 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004539 tlogG= -0.024041 logG= -0.028580 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106410 ETOT(band)= -0.117108 trlgG= -0.146746 logG= -0.028580 TDE= -0.170823 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002628 tlogG= -0.011984 logG= -0.014612 Density= 0.053988 ETOT(band)= -0.058398 trlgG= -0.073647 logG= -0.014612 TDE= -0.085751 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.022165 logG= -0.027117 logGD-logG0= -0.004343 tlogG= -0.023969 logG= -0.028312 logGD-logG0= -0.004316 tlogG= -0.024046 logG= -0.028362 Density= 0.106141 ETOT(band)= -0.117118 trlgG= -0.146735 logG= -0.028362 TDE= -0.170897 logGD-logG0= -0.004618 tlogG= -0.023200 logG= -0.027819 Density= 0.106756 ETOT(band)= -0.116578 trlgG= -0.145419 logG= -0.027819 TDE= -0.170429 Density= 0.108368 ETOT(band)= -0.115395 trlgG= -0.143917 logG= -0.027117 TDE= -0.170426 logGD-logG0= -0.005103 tlogG= -0.022977 logG= -0.028080 Density= 0.108145 ETOT(band)= -0.116073 trlgG= -0.145470 logG= -0.028080 TDE= -0.170906 Density= 0.106193 ETOT(band)= -0.117074 trlgG= -0.146622 logG= -0.028312 TDE= -0.170860 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.024087 logG= -0.029078 logGD-logG0= -0.005283 tlogG= -0.023679 logG= -0.028962 Density= 0.107394 ETOT(band)= -0.116993 trlgG= -0.147092 logG= -0.029078 TDE= -0.171158 Density= 0.107246 ETOT(band)= -0.116961 trlgG= -0.146799 logG= -0.028962 TDE= -0.170908 logGD-logG0= -0.005321 tlogG= -0.024126 logG= -0.029446 logGD-logG0= -0.005308 tlogG= -0.023898 logG= -0.029206 Density= 0.107822 ETOT(band)= -0.117026 trlgG= -0.147659 logG= -0.029446 TDE= -0.171568 Density= 0.107763 ETOT(band)= -0.116896 trlgG= -0.147255 logG= -0.029206 TDE= -0.171376 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.023210 logG= -0.028306 Density= 0.108203 ETOT(band)= -0.116166 trlgG= -0.145826 logG= -0.028306 TDE= -0.171065 logGD-logG0= -0.005226 tlogG= -0.023962 logG= -0.029188 logGD-logG0= -0.005127 tlogG= -0.023599 logG= -0.028726 Density= 0.108212 ETOT(band)= -0.116390 trlgG= -0.146490 logG= -0.028726 TDE= -0.171313 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023865 logG= -0.028990 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.024080 logG= -0.029368 Density= 0.108257 ETOT(band)= -0.116516 trlgG= -0.146911 logG= -0.028990 TDE= -0.171492 Density= 0.107458 ETOT(band)= -0.117015 trlgG= -0.147195 logG= -0.029188 TDE= -0.171182 Density= 0.107898 ETOT(band)= -0.116938 trlgG= -0.147535 logG= -0.029368 TDE= -0.171560 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005030 tlogG= -0.022728 logG= -0.027759 Density= 0.108258 ETOT(band)= -0.115837 trlgG= -0.144960 logG= -0.027759 TDE= -0.170773 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.023640 logG= -0.028632 logGD-logG0= -0.004729 tlogG= -0.023496 logG= -0.028225 Density= 0.106792 ETOT(band)= -0.116769 trlgG= -0.145904 logG= -0.028225 TDE= -0.170525 logGD-logG0= -0.005010 tlogG= -0.022403 logG= -0.027413 Density= 0.107648 ETOT(band)= -0.115925 trlgG= -0.144400 logG= -0.027413 TDE= -0.170257 Density= 0.106995 ETOT(band)= -0.116889 trlgG= -0.146247 logG= -0.028632 TDE= -0.170562 logGD-logG0= -0.004674 tlogG= -0.023665 logG= -0.028338 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106618 ETOT(band)= -0.116915 trlgG= -0.146331 logG= -0.028338 TDE= -0.170753 logGD-logG0= -0.004705 tlogG= -0.023681 logG= -0.028386 Density= 0.106993 ETOT(band)= -0.116799 trlgG= -0.146438 logG= -0.028386 TDE= -0.170998 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.022871 logG= -0.027979 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107629 ETOT(band)= -0.116258 trlgG= -0.145296 logG= -0.027979 TDE= -0.170577 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004897 tlogG= -0.023890 logG= -0.028787 Density= 0.106775 ETOT(band)= -0.117070 trlgG= -0.146859 logG= -0.028787 TDE= -0.170910 logGD-logG0= -0.004878 tlogG= -0.024063 logG= -0.028941 Density= 0.107073 ETOT(band)= -0.117053 trlgG= -0.147115 logG= -0.028941 TDE= -0.171159 logGD-logG0= -0.004738 tlogG= -0.022846 logG= -0.027585 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001403 tlogG= -0.008042 logG= -0.009446 logGD-logG0= -0.005275 tlogG= -0.023863 logG= -0.029138 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107313 ETOT(band)= -0.116196 trlgG= -0.145008 logG= -0.027585 TDE= -0.170527 logGD-logG0= -0.005298 tlogG= -0.023192 logG= -0.028491 Density= 0.107695 ETOT(band)= -0.116506 trlgG= -0.146105 logG= -0.028491 TDE= -0.170908 Density= 0.107926 ETOT(band)= -0.116765 trlgG= -0.147151 logG= -0.029138 TDE= -0.171420 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035321 ETOT(band)= -0.039060 trlgG= -0.048954 logG= -0.009446 TDE= -0.056987 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.023573 logG= -0.028884 Density= 0.107811 ETOT(band)= -0.116668 trlgG= -0.146735 logG= -0.028884 TDE= -0.171201 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009778 tlogG= -0.048233 logG= -0.058010 logGD-logG0= -0.009466 tlogG= -0.045750 logG= -0.055217 Density= 0.215048 ETOT(band)= -0.232228 trlgG= -0.289920 logG= -0.055217 TDE= -0.341120 Density= 0.214433 ETOT(band)= -0.234065 trlgG= -0.294307 logG= -0.058010 TDE= -0.342409 logGD-logG0= -0.005263 tlogG= -0.024051 logG= -0.029314 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107957 ETOT(band)= -0.116871 trlgG= -0.147447 logG= -0.029314 TDE= -0.171555 logGD-logG0= -0.009644 tlogG= -0.047148 logG= -0.056792 logGD-logG0= -0.009923 tlogG= -0.047889 logG= -0.057812 Density= 0.214004 ETOT(band)= -0.234102 trlgG= -0.293993 logG= -0.057812 TDE= -0.342081 Density= 0.213804 ETOT(band)= -0.233656 trlgG= -0.292728 logG= -0.056792 TDE= -0.341737 logGD-logG0= -0.009746 tlogG= -0.045580 logG= -0.055325 logGD-logG0= -0.009097 tlogG= -0.047622 logG= -0.056720 Density= 0.212968 ETOT(band)= -0.233951 trlgG= -0.292796 logG= -0.056720 TDE= -0.341463 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.048072 logG= -0.058527 Density= 0.214397 ETOT(band)= -0.232575 trlgG= -0.290095 logG= -0.055325 TDE= -0.340864 Density= 0.215098 ETOT(band)= -0.234047 trlgG= -0.294655 logG= -0.058527 TDE= -0.342569 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.010424 logG= -0.012826 Density= 0.054381 ETOT(band)= -0.057056 trlgG= -0.070678 logG= -0.012826 TDE= -0.084763 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010302 tlogG= -0.047971 logG= -0.058273 logGD-logG0= -0.010499 tlogG= -0.047737 logG= -0.058237 Density= 0.215101 ETOT(band)= -0.233902 trlgG= -0.294238 logG= -0.058273 TDE= -0.342408 Density= 0.214786 ETOT(band)= -0.233992 trlgG= -0.294142 logG= -0.058237 TDE= -0.342193 logGD-logG0= -0.009417 tlogG= -0.047436 logG= -0.056853 Density= 0.214345 ETOT(band)= -0.233489 trlgG= -0.292862 logG= -0.056853 TDE= -0.342077 logGD-logG0= -0.009525 tlogG= -0.047924 logG= -0.057449 Density= 0.213312 ETOT(band)= -0.234162 trlgG= -0.293440 logG= -0.057449 TDE= -0.341549 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009799 tlogG= -0.047149 logG= -0.056948 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213814 ETOT(band)= -0.233701 trlgG= -0.292521 logG= -0.056948 TDE= -0.341379 logGD-logG0= -0.001624 tlogG= -0.006990 logG= -0.008614 Density= 0.036198 ETOT(band)= -0.038115 trlgG= -0.047237 logG= -0.008614 TDE= -0.056536 logGD-logG0= -0.010363 tlogG= -0.047777 logG= -0.058141 Density= 0.214686 ETOT(band)= -0.233985 trlgG= -0.293972 logG= -0.058141 TDE= -0.342069 logGD-logG0= -0.010599 tlogG= -0.047515 logG= -0.058114 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010525 tlogG= -0.047927 logG= -0.058452 Density= 0.215918 ETOT(band)= -0.233614 trlgG= -0.294595 logG= -0.058452 TDE= -0.342990 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215723 ETOT(band)= -0.233497 trlgG= -0.294032 logG= -0.058114 TDE= -0.342669 logGD-logG0= -0.001689 tlogG= -0.007303 logG= -0.008992 logGD-logG0= -0.004705 tlogG= -0.022985 logG= -0.027690 Density= 0.106891 ETOT(band)= -0.116447 trlgG= -0.145157 logG= -0.027690 TDE= -0.170363 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010535 tlogG= -0.048007 logG= -0.058542 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215134 ETOT(band)= -0.234038 trlgG= -0.294682 logG= -0.058542 TDE= -0.342599 logGD-logG0= -0.010386 tlogG= -0.047303 logG= -0.057689 Density= 0.214295 ETOT(band)= -0.233884 trlgG= -0.293223 logG= -0.057689 TDE= -0.341578 logGD-logG0= -0.010161 tlogG= -0.047652 logG= -0.057813 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213984 ETOT(band)= -0.234089 trlgG= -0.293746 logG= -0.057813 TDE= -0.341823 logGD-logG0= -0.010557 tlogG= -0.047415 logG= -0.057972 Density= 0.215493 ETOT(band)= -0.233536 trlgG= -0.293790 logG= -0.057972 TDE= -0.342454 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035849 ETOT(band)= -0.038563 trlgG= -0.047896 logG= -0.008992 TDE= -0.056643 logGD-logG0= -0.010161 tlogG= -0.046405 logG= -0.056566 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215243 ETOT(band)= -0.232867 trlgG= -0.291546 logG= -0.056566 TDE= -0.341493 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010647 tlogG= -0.048138 logG= -0.058785 Density= 0.215448 ETOT(band)= -0.234065 trlgG= -0.295120 logG= -0.058785 TDE= -0.342950 logGD-logG0= -0.004827 tlogG= -0.023683 logG= -0.028510 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107393 ETOT(band)= -0.116682 trlgG= -0.146350 logG= -0.028510 TDE= -0.170984 logGD-logG0= -0.009772 tlogG= -0.047214 logG= -0.056986 Density= 0.214509 ETOT(band)= -0.233452 trlgG= -0.292637 logG= -0.056986 TDE= -0.341801 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010599 tlogG= -0.046873 logG= -0.057472 Density= 0.215455 ETOT(band)= -0.233259 trlgG= -0.292990 logG= -0.057472 TDE= -0.342136 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002462 tlogG= -0.010839 logG= -0.013301 Density= 0.054068 ETOT(band)= -0.057572 trlgG= -0.071522 logG= -0.013301 TDE= -0.084978 logGD-logG0= -0.010073 tlogG= -0.047144 logG= -0.057217 Density= 0.215178 ETOT(band)= -0.233268 trlgG= -0.292562 logG= -0.057217 TDE= -0.341826 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009850 tlogG= -0.045640 logG= -0.055490 Density= 0.215178 ETOT(band)= -0.232304 trlgG= -0.289913 logG= -0.055490 TDE= -0.340904 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.021560 logG= -0.026461 Density= 0.108521 ETOT(band)= -0.114845 trlgG= -0.142790 logG= -0.026461 TDE= -0.170031 logGD-logG0= -0.004987 tlogG= -0.021870 logG= -0.026857 Density= 0.108332 ETOT(band)= -0.115211 trlgG= -0.143469 logG= -0.026857 TDE= -0.170219 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004821 tlogG= -0.020985 logG= -0.025806 Density= 0.108716 ETOT(band)= -0.114258 trlgG= -0.141635 logG= -0.025806 TDE= -0.169627 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010047 tlogG= -0.048019 logG= -0.058066 Density= 0.214563 ETOT(band)= -0.234013 trlgG= -0.294058 logG= -0.058066 TDE= -0.342169 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.021813 logG= -0.026880 Density= 0.107802 ETOT(band)= -0.115497 trlgG= -0.143527 logG= -0.026880 TDE= -0.169993 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004861 tlogG= -0.022845 logG= -0.027706 Density= 0.107760 ETOT(band)= -0.116054 trlgG= -0.144885 logG= -0.027706 TDE= -0.170504 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.021690 logG= -0.026697 Density= 0.107944 ETOT(band)= -0.115305 trlgG= -0.143218 logG= -0.026697 TDE= -0.169937 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010010 tlogG= -0.043381 logG= -0.053390 Density= 0.216298 ETOT(band)= -0.230401 trlgG= -0.286415 logG= -0.053390 TDE= -0.340060 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010579 tlogG= -0.047876 logG= -0.058455 Density= 0.215791 ETOT(band)= -0.233686 trlgG= -0.294596 logG= -0.058455 TDE= -0.342925 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005937 logG= -0.007214 logGD-logG0= -0.001272 tlogG= -0.005854 logG= -0.007126 Density= 0.080659 ETOT(band)= -0.087584 trlgG= -0.110137 logG= -0.007126 TDE= -0.042802 Density= 0.080841 ETOT(band)= -0.087620 trlgG= -0.110335 logG= -0.007214 TDE= -0.042856 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080647 ETOT(band)= -0.087369 trlgG= -0.109582 logG= -0.007003 TDE= -0.042737 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005982 logG= -0.007257 logGD-logG0= -0.005220 tlogG= -0.023994 logG= -0.029214 Density= 0.081068 ETOT(band)= -0.087524 trlgG= -0.110390 logG= -0.007257 TDE= -0.042886 Density= 0.215709 ETOT(band)= -0.233785 trlgG= -0.294749 logG= -0.029214 TDE= -0.171537 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005618 logG= -0.006854 Density= 0.080847 ETOT(band)= -0.086941 trlgG= -0.108581 logG= -0.006854 TDE= -0.042660 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001430 tlogG= -0.007964 logG= -0.009393 Density= 0.070882 ETOT(band)= -0.077921 trlgG= -0.097423 logG= -0.009393 TDE= -0.056948 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005253 tlogG= -0.023792 logG= -0.029045 Density= 0.215360 ETOT(band)= -0.233690 trlgG= -0.294094 logG= -0.029045 TDE= -0.171384 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023993 logG= -0.029176 Density= 0.216374 ETOT(band)= -0.233271 trlgG= -0.294278 logG= -0.029176 TDE= -0.171554 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024126 logG= -0.028415 Density= 0.212221 ETOT(band)= -0.234285 trlgG= -0.293593 logG= -0.028415 TDE= -0.170936 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004566 tlogG= -0.023968 logG= -0.028535 logGD-logG0= -0.005035 tlogG= -0.024157 logG= -0.029192 Density= 0.322483 ETOT(band)= -0.351109 trlgG= -0.441899 logG= -0.029192 TDE= -0.171191 Density= 0.212852 ETOT(band)= -0.234186 trlgG= -0.293399 logG= -0.028535 TDE= -0.170791 logGD-logG0= -0.005069 tlogG= -0.023951 logG= -0.029020 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214372 ETOT(band)= -0.234017 trlgG= -0.293830 logG= -0.029020 TDE= -0.171022 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005112 tlogG= -0.022435 logG= -0.027546 Density= 0.216391 ETOT(band)= -0.231218 trlgG= -0.288536 logG= -0.027546 TDE= -0.170527 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.024000 logG= -0.028764 Density= 0.321615 ETOT(band)= -0.350991 trlgG= -0.441217 logG= -0.028764 TDE= -0.171185 logGD-logG0= -0.004423 tlogG= -0.023735 logG= -0.028158 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005312 tlogG= -0.024114 logG= -0.029427 Density= 0.215742 ETOT(band)= -0.233941 trlgG= -0.295164 logG= -0.029427 TDE= -0.171568 Density= 0.213130 ETOT(band)= -0.233502 trlgG= -0.291677 logG= -0.028158 TDE= -0.170738 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023408 logG= -0.028611 Density= 0.216218 ETOT(band)= -0.232589 trlgG= -0.292134 logG= -0.028611 TDE= -0.171148 logGD-logG0= -0.005066 tlogG= -0.023840 logG= -0.028907 logGD-logG0= -0.005174 tlogG= -0.022962 logG= -0.028136 logGD-logG0= -0.010396 tlogG= -0.047772 logG= -0.058168 Density= 0.215520 ETOT(band)= -0.233686 trlgG= -0.294198 logG= -0.028907 TDE= -0.171072 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324380 ETOT(band)= -0.349811 trlgG= -0.440915 logG= -0.058168 TDE= -0.342949 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216246 ETOT(band)= -0.232015 trlgG= -0.290519 logG= -0.028136 TDE= -0.170861 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023950 logG= -0.029126 logGD-logG0= -0.004592 tlogG= -0.023886 logG= -0.028478 Density= 0.213322 ETOT(band)= -0.233779 trlgG= -0.292408 logG= -0.028478 TDE= -0.170743 logGD-logG0= -0.005010 tlogG= -0.024151 logG= -0.029161 Density= 0.214771 ETOT(band)= -0.234091 trlgG= -0.294448 logG= -0.029161 TDE= -0.171196 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010675 tlogG= -0.048029 logG= -0.058705 Density= 0.323284 ETOT(band)= -0.350877 trlgG= -0.442249 logG= -0.058705 TDE= -0.342940 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010160 tlogG= -0.045622 logG= -0.055782 Density= 0.216407 ETOT(band)= -0.233167 trlgG= -0.294046 logG= -0.029126 TDE= -0.171528 logGD-logG0= -0.004479 tlogG= -0.023581 logG= -0.028060 Density= 0.212665 ETOT(band)= -0.233907 trlgG= -0.292648 logG= -0.028060 TDE= -0.170654 Density= 0.324078 ETOT(band)= -0.347842 trlgG= -0.434862 logG= -0.055782 TDE= -0.341377 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010442 tlogG= -0.047222 logG= -0.057664 Density= 0.324164 ETOT(band)= -0.349443 trlgG= -0.439566 logG= -0.057664 TDE= -0.342557 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004905 tlogG= -0.023880 logG= -0.028785 Density= 0.213824 ETOT(band)= -0.233929 trlgG= -0.292920 logG= -0.028785 TDE= -0.170752 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023755 logG= -0.028951 Density= 0.216298 ETOT(band)= -0.232969 trlgG= -0.293342 logG= -0.028951 TDE= -0.171387 logGD-logG0= -0.001580 tlogG= -0.006873 logG= -0.008453 Density= 0.040850 ETOT(band)= -0.042662 trlgG= -0.052787 logG= -0.008453 TDE= -0.056450 logGD-logG0= -0.005345 tlogG= -0.023950 logG= -0.029295 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323695 ETOT(band)= -0.350552 trlgG= -0.441998 logG= -0.029295 TDE= -0.171441 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005361 tlogG= -0.023891 logG= -0.029251 logGD-logG0= -0.004775 tlogG= -0.023239 logG= -0.028013 Density= 0.215669 ETOT(band)= -0.233688 trlgG= -0.294477 logG= -0.029251 TDE= -0.171392 logGD-logG0= -0.004731 tlogG= -0.024001 logG= -0.028732 Density= 0.213539 ETOT(band)= -0.233533 trlgG= -0.292138 logG= -0.028013 TDE= -0.170704 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214155 ETOT(band)= -0.234006 trlgG= -0.294047 logG= -0.028732 TDE= -0.171189 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.023830 logG= -0.028656 Density= 0.213611 ETOT(band)= -0.234066 trlgG= -0.293655 logG= -0.028656 TDE= -0.171007 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010438 tlogG= -0.046402 logG= -0.056840 Density= 0.324030 ETOT(band)= -0.348786 trlgG= -0.437480 logG= -0.056840 TDE= -0.342000 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004644 tlogG= -0.023365 logG= -0.028009 logGD-logG0= -0.005021 tlogG= -0.023240 logG= -0.028262 Density= 0.214219 ETOT(band)= -0.233294 trlgG= -0.292255 logG= -0.028009 TDE= -0.170868 Density= 0.321751 ETOT(band)= -0.350451 trlgG= -0.439493 logG= -0.028262 TDE= -0.170814 logGD-logG0= -0.004676 tlogG= -0.023362 logG= -0.028038 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321686 ETOT(band)= -0.349943 trlgG= -0.438642 logG= -0.028038 TDE= -0.170860 logGD-logG0= -0.004958 tlogG= -0.022901 logG= -0.027860 Density= 0.214828 ETOT(band)= -0.232325 trlgG= -0.289613 logG= -0.027860 TDE= -0.170391 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005408 tlogG= -0.023677 logG= -0.029085 Density= 0.215433 ETOT(band)= -0.233539 trlgG= -0.293778 logG= -0.029085 TDE= -0.171215 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005425 tlogG= -0.023351 logG= -0.028777 logGD-logG0= -0.005159 tlogG= -0.023192 logG= -0.028351 Density= 0.215135 ETOT(band)= -0.233280 trlgG= -0.292637 logG= -0.028777 TDE= -0.170921 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214898 ETOT(band)= -0.232880 trlgG= -0.291142 logG= -0.028351 TDE= -0.170578 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.024080 logG= -0.029319 Density= 0.323100 ETOT(band)= -0.351084 trlgG= -0.442550 logG= -0.029319 TDE= -0.171382 logGD-logG0= -0.009623 tlogG= -0.047828 logG= -0.057451 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001570 tlogG= -0.007587 logG= -0.009156 Density= 0.071508 ETOT(band)= -0.077322 trlgG= -0.096129 logG= -0.009156 TDE= -0.056724 Density= 0.428107 ETOT(band)= -0.467997 trlgG= -0.587679 logG= -0.057451 TDE= -0.342184 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008936 tlogG= -0.048086 logG= -0.057022 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425622 ETOT(band)= -0.468170 trlgG= -0.586283 logG= -0.057022 TDE= -0.341697 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.023479 logG= -0.028722 logGD-logG0= -0.009428 tlogG= -0.046705 logG= -0.056133 Density= 0.427966 ETOT(band)= -0.465971 trlgG= -0.581680 logG= -0.056133 TDE= -0.341137 Density= 0.215242 ETOT(band)= -0.233254 trlgG= -0.292831 logG= -0.028722 TDE= -0.171127 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010235 tlogG= -0.047659 logG= -0.057894 Density= 0.428358 ETOT(band)= -0.467983 trlgG= -0.587013 logG= -0.057894 TDE= -0.341825 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010295 tlogG= -0.047946 logG= -0.058241 Density= 0.429265 ETOT(band)= -0.468077 trlgG= -0.588099 logG= -0.058241 TDE= -0.342069 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010637 tlogG= -0.047721 logG= -0.058358 logGD-logG0= -0.009487 tlogG= -0.046596 logG= -0.056083 logGD-logG0= -0.010126 tlogG= -0.048138 logG= -0.058264 Density= 0.429361 ETOT(band)= -0.468116 trlgG= -0.588456 logG= -0.058264 TDE= -0.342231 logGD-logG0= -0.010469 tlogG= -0.048062 logG= -0.058531 Density= 0.430801 ETOT(band)= -0.467380 trlgG= -0.588189 logG= -0.058358 TDE= -0.342586 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428168 ETOT(band)= -0.466693 trlgG= -0.584287 logG= -0.056083 TDE= -0.341554 Density= 0.430198 ETOT(band)= -0.467953 trlgG= -0.588897 logG= -0.058531 TDE= -0.342569 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004903 tlogG= -0.021297 logG= -0.026199 Density= 0.162661 ETOT(band)= -0.172937 trlgG= -0.215869 logG= -0.026199 TDE= -0.169843 logGD-logG0= -0.010747 tlogG= -0.047678 logG= -0.058425 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431140 ETOT(band)= -0.467325 trlgG= -0.588551 logG= -0.058425 TDE= -0.342693 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010259 tlogG= -0.048212 logG= -0.058471 Density= 0.430092 ETOT(band)= -0.468123 trlgG= -0.589224 logG= -0.058471 TDE= -0.342443 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009626 tlogG= -0.047644 logG= -0.057270 Density= 0.426751 ETOT(band)= -0.468203 trlgG= -0.586804 logG= -0.057270 TDE= -0.341714 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010298 tlogG= -0.046921 logG= -0.057220 logGD-logG0= -0.009980 tlogG= -0.047548 logG= -0.057528 Density= 0.429937 ETOT(band)= -0.466326 trlgG= -0.584062 logG= -0.057220 TDE= -0.341538 Density= 0.428674 ETOT(band)= -0.467328 trlgG= -0.586056 logG= -0.057528 TDE= -0.341870 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009580 tlogG= -0.047763 logG= -0.057343 Density= 0.427252 ETOT(band)= -0.467756 trlgG= -0.585661 logG= -0.057343 TDE= -0.341417 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010697 tlogG= -0.047260 logG= -0.057957 Density= 0.430533 ETOT(band)= -0.466955 trlgG= -0.586717 logG= -0.057957 TDE= -0.342202 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001223 tlogG= -0.005467 logG= -0.006690 logGD-logG0= -0.001204 tlogG= -0.005306 logG= -0.006510 Density= 0.081563 ETOT(band)= -0.085664 trlgG= -0.106189 logG= -0.006510 TDE= -0.042452 Density= 0.081207 ETOT(band)= -0.086330 trlgG= -0.107346 logG= -0.006690 TDE= -0.042563 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010222 tlogG= -0.047561 logG= -0.057783 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430065 ETOT(band)= -0.466973 trlgG= -0.585991 logG= -0.057783 TDE= -0.341983 logGD-logG0= -0.004828 tlogG= -0.022322 logG= -0.027151 Density= 0.322915 ETOT(band)= -0.347872 trlgG= -0.433901 logG= -0.027151 TDE= -0.170208 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004788 tlogG= -0.022322 logG= -0.027110 Density= 0.215059 ETOT(band)= -0.231879 trlgG= -0.289014 logG= -0.027110 TDE= -0.170214 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009953 tlogG= -0.044614 logG= -0.054567 Density= 0.324320 ETOT(band)= -0.346573 trlgG= -0.431855 logG= -0.054567 TDE= -0.340700 logGD-logG0= -0.009799 tlogG= -0.047843 logG= -0.057642 Density= 0.429198 ETOT(band)= -0.467778 trlgG= -0.587660 logG= -0.057642 TDE= -0.342172 logGD-logG0= -0.001692 tlogG= -0.007115 logG= -0.008807 Density= 0.072236 ETOT(band)= -0.076458 trlgG= -0.094821 logG= -0.008807 TDE= -0.056610 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009915 tlogG= -0.046390 logG= -0.056305 Density= 0.429593 ETOT(band)= -0.465409 trlgG= -0.581366 logG= -0.056305 TDE= -0.341250 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009667 tlogG= -0.046595 logG= -0.056262 Density= 0.322748 ETOT(band)= -0.348903 trlgG= -0.436290 logG= -0.056262 TDE= -0.341530 logGD-logG0= -0.004909 tlogG= -0.022469 logG= -0.027377 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215053 ETOT(band)= -0.231591 trlgG= -0.287971 logG= -0.027377 TDE= -0.170140 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001186 tlogG= -0.005170 logG= -0.006356 Density= 0.062550 ETOT(band)= -0.067522 trlgG= -0.084185 logG= -0.006356 TDE= -0.042350 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010671 tlogG= -0.048003 logG= -0.058675 Density= 0.431379 ETOT(band)= -0.467608 trlgG= -0.589544 logG= -0.058675 TDE= -0.342958 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.021874 logG= -0.026949 Density= 0.216645 ETOT(band)= -0.230221 trlgG= -0.286422 logG= -0.026949 TDE= -0.170188 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004985 tlogG= -0.021346 logG= -0.026331 Density= 0.217037 ETOT(band)= -0.229115 trlgG= -0.284220 logG= -0.026331 TDE= -0.169856 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004941 tlogG= -0.022287 logG= -0.027228 Density= 0.214296 ETOT(band)= -0.232364 trlgG= -0.289363 logG= -0.027228 TDE= -0.170127 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004944 tlogG= -0.021201 logG= -0.026145 Density= 0.216367 ETOT(band)= -0.229972 trlgG= -0.285473 logG= -0.026145 TDE= -0.169763 logGD-logG0= -0.009803 tlogG= -0.044615 logG= -0.054418 Density= 0.431656 ETOT(band)= -0.461944 trlgG= -0.574599 logG= -0.054418 TDE= -0.340336 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.716446164877 eV TrLogG= -407.182076910313 eV Ratio to renormalize= 0.999894987716 rho-rho_expected= 0.002310512880 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964535707480188 0.940165511995548 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002332 tlogG= -0.011444 logG= -0.013776 Density= 0.053743 ETOT(band)= -0.058047 trlgG= -0.072474 logG= -0.013776 TDE= -0.085293 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002324 tlogG= -0.011879 logG= -0.014204 Density= 0.053569 ETOT(band)= -0.058377 trlgG= -0.073237 logG= -0.014204 TDE= -0.085542 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004953 tlogG= -0.022162 logG= -0.027116 Density= 0.108366 ETOT(band)= -0.115389 trlgG= -0.143910 logG= -0.027116 TDE= -0.170419 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023207 logG= -0.028305 Density= 0.108201 ETOT(band)= -0.116161 trlgG= -0.145819 logG= -0.028305 TDE= -0.171057 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005032 tlogG= -0.022726 logG= -0.027758 Density= 0.108255 ETOT(band)= -0.115831 trlgG= -0.144953 logG= -0.027758 TDE= -0.170765 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004897 tlogG= -0.023888 logG= -0.028785 Density= 0.106774 ETOT(band)= -0.117064 trlgG= -0.146851 logG= -0.028785 TDE= -0.170902 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004739 tlogG= -0.022844 logG= -0.027584 Density= 0.107311 ETOT(band)= -0.116190 trlgG= -0.145000 logG= -0.027584 TDE= -0.170520 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004543 ETOT(band)= -0.004731 trlgG= -0.005851 logG= -0.001048 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002419 tlogG= -0.012078 logG= -0.014497 Density= 0.053591 ETOT(band)= -0.058521 trlgG= -0.073600 logG= -0.014497 TDE= -0.085622 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002601 tlogG= -0.012029 logG= -0.014630 Density= 0.053768 ETOT(band)= -0.058511 trlgG= -0.073658 logG= -0.014630 TDE= -0.085635 logGD-logG0= -0.001485 tlogG= -0.007809 logG= -0.009293 Density= 0.035499 ETOT(band)= -0.038908 trlgG= -0.048588 logG= -0.009293 TDE= -0.056861 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001403 tlogG= -0.008042 logG= -0.009445 Density= 0.035321 ETOT(band)= -0.039058 trlgG= -0.048951 logG= -0.009445 TDE= -0.056984 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023421 logG= -0.028568 Density= 0.108137 ETOT(band)= -0.116338 trlgG= -0.146237 logG= -0.028568 TDE= -0.171181 logGD-logG0= -0.005276 tlogG= -0.024065 logG= -0.029341 logGD-logG0= -0.002463 tlogG= -0.010837 logG= -0.013300 logGD-logG0= -0.002560 tlogG= -0.011979 logG= -0.014539 Density= 0.107652 ETOT(band)= -0.117024 trlgG= -0.147461 logG= -0.029341 TDE= -0.171392 Density= 0.054067 ETOT(band)= -0.057569 trlgG= -0.071519 logG= -0.013300 TDE= -0.084974 logGD-logG0= -0.005036 tlogG= -0.022449 logG= -0.027486 Density= 0.054140 ETOT(band)= -0.058275 trlgG= -0.073524 logG= -0.014539 TDE= -0.085776 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108211 ETOT(band)= -0.115694 trlgG= -0.144516 logG= -0.027486 TDE= -0.170579 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005139 tlogG= -0.023941 logG= -0.029080 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108234 ETOT(band)= -0.116575 trlgG= -0.147052 logG= -0.029080 TDE= -0.171532 logGD-logG0= -0.004539 tlogG= -0.024039 logG= -0.028579 Density= 0.106408 ETOT(band)= -0.117101 trlgG= -0.146738 logG= -0.028579 TDE= -0.170816 logGD-logG0= -0.004862 tlogG= -0.022843 logG= -0.027705 Density= 0.107758 ETOT(band)= -0.116048 trlgG= -0.144877 logG= -0.027705 TDE= -0.170496 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004343 tlogG= -0.023967 logG= -0.028310 Density= 0.106191 ETOT(band)= -0.117068 trlgG= -0.146614 logG= -0.028310 TDE= -0.170852 logGD-logG0= -0.005152 tlogG= -0.023755 logG= -0.028907 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005104 tlogG= -0.022974 logG= -0.028079 Density= 0.108142 ETOT(band)= -0.116067 trlgG= -0.145463 logG= -0.028079 TDE= -0.170899 Density= 0.108184 ETOT(band)= -0.116500 trlgG= -0.146773 logG= -0.028907 TDE= -0.171402 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005129 tlogG= -0.023596 logG= -0.028725 logGD-logG0= -0.002629 tlogG= -0.011983 logG= -0.014612 Density= 0.108210 ETOT(band)= -0.116384 trlgG= -0.146482 logG= -0.028725 TDE= -0.171305 logGD-logG0= -0.004619 tlogG= -0.023199 logG= -0.027817 Density= 0.106754 ETOT(band)= -0.116572 trlgG= -0.145411 logG= -0.027817 TDE= -0.170421 Density= 0.053987 ETOT(band)= -0.058395 trlgG= -0.073644 logG= -0.014612 TDE= -0.085747 logGD-logG0= -0.005284 tlogG= -0.023677 logG= -0.028961 logGD-logG0= -0.004992 tlogG= -0.023639 logG= -0.028631 Density= 0.106993 ETOT(band)= -0.116883 trlgG= -0.146239 logG= -0.028631 TDE= -0.170554 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107244 ETOT(band)= -0.116956 trlgG= -0.146791 logG= -0.028961 TDE= -0.170900 logGD-logG0= -0.005126 tlogG= -0.023862 logG= -0.028989 logGD-logG0= -0.005323 tlogG= -0.024123 logG= -0.029445 Density= 0.107819 ETOT(band)= -0.117020 trlgG= -0.147651 logG= -0.029445 TDE= -0.171560 logGD-logG0= -0.005290 tlogG= -0.024077 logG= -0.029367 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107896 ETOT(band)= -0.116933 trlgG= -0.147527 logG= -0.029367 TDE= -0.171552 Density= 0.108255 ETOT(band)= -0.116511 trlgG= -0.146903 logG= -0.028989 TDE= -0.171484 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023681 logG= -0.028509 logGD-logG0= -0.005011 tlogG= -0.022401 logG= -0.027412 Density= 0.107646 ETOT(band)= -0.115919 trlgG= -0.144392 logG= -0.027412 TDE= -0.170249 Density= 0.107391 ETOT(band)= -0.116676 trlgG= -0.146342 logG= -0.028509 TDE= -0.170976 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.024085 logG= -0.029077 logGD-logG0= -0.004706 tlogG= -0.023678 logG= -0.028385 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106992 ETOT(band)= -0.116793 trlgG= -0.146430 logG= -0.028385 TDE= -0.170990 logGD-logG0= -0.005227 tlogG= -0.023960 logG= -0.029187 Density= 0.107455 ETOT(band)= -0.117009 trlgG= -0.147187 logG= -0.029187 TDE= -0.171174 Density= 0.107391 ETOT(band)= -0.116987 trlgG= -0.147084 logG= -0.029077 TDE= -0.171150 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004674 tlogG= -0.023663 logG= -0.028337 Density= 0.106616 ETOT(band)= -0.116908 trlgG= -0.146323 logG= -0.028337 TDE= -0.170745 logGD-logG0= -0.005309 tlogG= -0.023896 logG= -0.029205 logGD-logG0= -0.004730 tlogG= -0.023494 logG= -0.028224 Density= 0.106791 ETOT(band)= -0.116763 trlgG= -0.145896 logG= -0.028224 TDE= -0.170517 Density= 0.107761 ETOT(band)= -0.116890 trlgG= -0.147247 logG= -0.029205 TDE= -0.171368 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.022983 logG= -0.027688 Density= 0.106889 ETOT(band)= -0.116441 trlgG= -0.145149 logG= -0.027688 TDE= -0.170355 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.024061 logG= -0.028940 Density= 0.107071 ETOT(band)= -0.117047 trlgG= -0.147107 logG= -0.028940 TDE= -0.171152 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.022869 logG= -0.027978 Density= 0.107627 ETOT(band)= -0.116252 trlgG= -0.145288 logG= -0.027978 TDE= -0.170570 logGD-logG0= -0.005299 tlogG= -0.023191 logG= -0.028490 Density= 0.107693 ETOT(band)= -0.116501 trlgG= -0.146097 logG= -0.028490 TDE= -0.170900 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.023860 logG= -0.029137 logGD-logG0= -0.009780 tlogG= -0.048228 logG= -0.058008 Density= 0.214429 ETOT(band)= -0.234054 trlgG= -0.294291 logG= -0.058008 TDE= -0.342394 Density= 0.107923 ETOT(band)= -0.116760 trlgG= -0.147143 logG= -0.029137 TDE= -0.171412 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.023570 logG= -0.028883 Density= 0.107809 ETOT(band)= -0.116663 trlgG= -0.146727 logG= -0.028883 TDE= -0.171193 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009469 tlogG= -0.045746 logG= -0.055214 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215044 ETOT(band)= -0.232216 trlgG= -0.289904 logG= -0.055214 TDE= -0.341105 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009646 tlogG= -0.047143 logG= -0.056789 Density= 0.213800 ETOT(band)= -0.233644 trlgG= -0.292712 logG= -0.056789 TDE= -0.341721 logGD-logG0= -0.009098 tlogG= -0.047619 logG= -0.056717 logGD-logG0= -0.009748 tlogG= -0.045575 logG= -0.055323 Density= 0.214394 ETOT(band)= -0.232563 trlgG= -0.290079 logG= -0.055323 TDE= -0.340848 Density= 0.212965 ETOT(band)= -0.233938 trlgG= -0.292779 logG= -0.056717 TDE= -0.341448 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.024048 logG= -0.029313 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010501 tlogG= -0.047733 logG= -0.058234 Density= 0.107954 ETOT(band)= -0.116866 trlgG= -0.147439 logG= -0.029313 TDE= -0.171547 Density= 0.214782 ETOT(band)= -0.233980 trlgG= -0.294126 logG= -0.058234 TDE= -0.342177 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.047921 logG= -0.057446 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213309 ETOT(band)= -0.234150 trlgG= -0.293424 logG= -0.057446 TDE= -0.341533 logGD-logG0= -0.009925 tlogG= -0.047884 logG= -0.057810 Density= 0.214000 ETOT(band)= -0.234090 trlgG= -0.293977 logG= -0.057810 TDE= -0.342065 logGD-logG0= -0.009419 tlogG= -0.047432 logG= -0.056851 Density= 0.214341 ETOT(band)= -0.233477 trlgG= -0.292846 logG= -0.056851 TDE= -0.342061 logGD-logG0= -0.010304 tlogG= -0.047968 logG= -0.058271 Density= 0.215096 ETOT(band)= -0.233890 trlgG= -0.294222 logG= -0.058271 TDE= -0.342392 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010456 tlogG= -0.048068 logG= -0.058524 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215093 ETOT(band)= -0.234035 trlgG= -0.294639 logG= -0.058524 TDE= -0.342553 logGD-logG0= -0.009800 tlogG= -0.047146 logG= -0.056945 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213811 ETOT(band)= -0.233689 trlgG= -0.292505 logG= -0.056945 TDE= -0.341363 logGD-logG0= -0.010536 tlogG= -0.048003 logG= -0.058539 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002403 tlogG= -0.010423 logG= -0.012825 Density= 0.054380 ETOT(band)= -0.057053 trlgG= -0.070674 logG= -0.012825 TDE= -0.084759 Density= 0.215130 ETOT(band)= -0.234027 trlgG= -0.294666 logG= -0.058539 TDE= -0.342583 logGD-logG0= -0.010365 tlogG= -0.047773 logG= -0.058138 Density= 0.214682 ETOT(band)= -0.233974 trlgG= -0.293956 logG= -0.058138 TDE= -0.342053 logGD-logG0= -0.001624 tlogG= -0.006989 logG= -0.008613 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010049 tlogG= -0.048015 logG= -0.058063 logGD-logG0= -0.010528 tlogG= -0.047922 logG= -0.058450 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215913 ETOT(band)= -0.233603 trlgG= -0.294580 logG= -0.058450 TDE= -0.342974 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214558 ETOT(band)= -0.234002 trlgG= -0.294042 logG= -0.058063 TDE= -0.342153 logGD-logG0= -0.010602 tlogG= -0.047509 logG= -0.058111 Density= 0.215718 ETOT(band)= -0.233486 trlgG= -0.294016 logG= -0.058111 TDE= -0.342653 logGD-logG0= -0.010162 tlogG= -0.047648 logG= -0.057810 Density= 0.036198 ETOT(band)= -0.038114 trlgG= -0.047235 logG= -0.008613 TDE= -0.056534 Density= 0.213980 ETOT(band)= -0.234077 trlgG= -0.293729 logG= -0.057810 TDE= -0.341807 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010387 tlogG= -0.047300 logG= -0.057687 Density= 0.214291 ETOT(band)= -0.233872 trlgG= -0.293207 logG= -0.057687 TDE= -0.341562 logGD-logG0= -0.009852 tlogG= -0.045636 logG= -0.055488 logGD-logG0= -0.010163 tlogG= -0.046401 logG= -0.056564 Density= 0.215174 ETOT(band)= -0.232293 trlgG= -0.289898 logG= -0.055488 TDE= -0.340889 Density= 0.215239 ETOT(band)= -0.232856 trlgG= -0.291530 logG= -0.056564 TDE= -0.341477 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010558 tlogG= -0.047412 logG= -0.057970 Density= 0.215488 ETOT(band)= -0.233525 trlgG= -0.293774 logG= -0.057970 TDE= -0.342438 logGD-logG0= -0.010649 tlogG= -0.048135 logG= -0.058783 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001689 tlogG= -0.007302 logG= -0.008992 Density= 0.035848 ETOT(band)= -0.038561 trlgG= -0.047893 logG= -0.008992 TDE= -0.056641 Density= 0.215444 ETOT(band)= -0.234054 trlgG= -0.295105 logG= -0.058783 TDE= -0.342934 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009774 tlogG= -0.047210 logG= -0.056984 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214505 ETOT(band)= -0.233440 trlgG= -0.292621 logG= -0.056984 TDE= -0.341785 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004316 tlogG= -0.024044 logG= -0.028360 Density= 0.106140 ETOT(band)= -0.117111 trlgG= -0.146727 logG= -0.028360 TDE= -0.170889 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.047870 logG= -0.058453 Density= 0.215785 ETOT(band)= -0.233675 trlgG= -0.294580 logG= -0.058453 TDE= -0.342909 logGD-logG0= -0.010601 tlogG= -0.046869 logG= -0.057470 logGD-logG0= -0.010075 tlogG= -0.047140 logG= -0.057215 Density= 0.215174 ETOT(band)= -0.233257 trlgG= -0.292546 logG= -0.057215 TDE= -0.341810 Density= 0.215450 ETOT(band)= -0.233248 trlgG= -0.292974 logG= -0.057470 TDE= -0.342120 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021868 logG= -0.026856 Density= 0.108330 ETOT(band)= -0.115205 trlgG= -0.143461 logG= -0.026856 TDE= -0.170212 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004903 tlogG= -0.021557 logG= -0.026460 Density= 0.108519 ETOT(band)= -0.114839 trlgG= -0.142783 logG= -0.026460 TDE= -0.170023 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004822 tlogG= -0.020983 logG= -0.025805 Density= 0.108714 ETOT(band)= -0.114253 trlgG= -0.141628 logG= -0.025805 TDE= -0.169620 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010012 tlogG= -0.043377 logG= -0.053388 Density= 0.216294 ETOT(band)= -0.230390 trlgG= -0.286400 logG= -0.053388 TDE= -0.340045 logGD-logG0= -0.005009 tlogG= -0.021688 logG= -0.026696 Density= 0.107942 ETOT(band)= -0.115299 trlgG= -0.143211 logG= -0.026696 TDE= -0.169929 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005068 tlogG= -0.021811 logG= -0.026879 Density= 0.107800 ETOT(band)= -0.115491 trlgG= -0.143519 logG= -0.026879 TDE= -0.169985 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001236 tlogG= -0.005617 logG= -0.006854 Density= 0.080846 ETOT(band)= -0.086937 trlgG= -0.108575 logG= -0.006854 TDE= -0.042658 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080645 ETOT(band)= -0.087365 trlgG= -0.109576 logG= -0.007003 TDE= -0.042735 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.022433 logG= -0.027545 logGD-logG0= -0.005204 tlogG= -0.023406 logG= -0.028610 Density= 0.216213 ETOT(band)= -0.232578 trlgG= -0.292119 logG= -0.028610 TDE= -0.171140 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216386 ETOT(band)= -0.231207 trlgG= -0.288521 logG= -0.027545 TDE= -0.170520 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.022959 logG= -0.028135 Density= 0.216242 ETOT(band)= -0.232004 trlgG= -0.290504 logG= -0.028135 TDE= -0.170854 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004827 tlogG= -0.023828 logG= -0.028655 Density= 0.213607 ETOT(band)= -0.234054 trlgG= -0.293638 logG= -0.028655 TDE= -0.171000 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001224 tlogG= -0.005466 logG= -0.006690 Density= 0.081206 ETOT(band)= -0.086326 trlgG= -0.107340 logG= -0.006690 TDE= -0.042561 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004789 tlogG= -0.022320 logG= -0.027109 Density= 0.215055 ETOT(band)= -0.231868 trlgG= -0.288998 logG= -0.027109 TDE= -0.170206 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080657 ETOT(band)= -0.087580 trlgG= -0.110131 logG= -0.007125 TDE= -0.042800 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005070 tlogG= -0.023949 logG= -0.029019 Density= 0.214368 ETOT(band)= -0.234006 trlgG= -0.293814 logG= -0.029019 TDE= -0.171015 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004567 tlogG= -0.023966 logG= -0.028533 logGD-logG0= -0.004905 tlogG= -0.023878 logG= -0.028783 Density= 0.213820 ETOT(band)= -0.233917 trlgG= -0.292903 logG= -0.028783 TDE= -0.170744 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212849 ETOT(band)= -0.234173 trlgG= -0.293382 logG= -0.028533 TDE= -0.170783 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005221 tlogG= -0.023991 logG= -0.029213 Density= 0.215704 ETOT(band)= -0.233774 trlgG= -0.294734 logG= -0.029213 TDE= -0.171529 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004776 tlogG= -0.023236 logG= -0.028012 Density= 0.213535 ETOT(band)= -0.233520 trlgG= -0.292122 logG= -0.028012 TDE= -0.170696 logGD-logG0= -0.004645 tlogG= -0.023363 logG= -0.028008 Density= 0.214215 ETOT(band)= -0.233282 trlgG= -0.292238 logG= -0.028008 TDE= -0.170860 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004732 tlogG= -0.023999 logG= -0.028731 Density= 0.214151 ETOT(band)= -0.233994 trlgG= -0.294031 logG= -0.028731 TDE= -0.171181 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005937 logG= -0.007213 Density= 0.080839 ETOT(band)= -0.087616 trlgG= -0.110329 logG= -0.007213 TDE= -0.042854 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005981 logG= -0.007257 Density= 0.081066 ETOT(band)= -0.087520 trlgG= -0.110384 logG= -0.007257 TDE= -0.042884 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005426 tlogG= -0.023350 logG= -0.028776 Density= 0.215130 ETOT(band)= -0.233269 trlgG= -0.292621 logG= -0.028776 TDE= -0.170913 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005160 tlogG= -0.023190 logG= -0.028350 Density= 0.214894 ETOT(band)= -0.232868 trlgG= -0.291126 logG= -0.028350 TDE= -0.170570 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001430 tlogG= -0.007963 logG= -0.009393 Density= 0.070881 ETOT(band)= -0.077916 trlgG= -0.097417 logG= -0.009393 TDE= -0.056946 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023990 logG= -0.029175 logGD-logG0= -0.005244 tlogG= -0.023477 logG= -0.028721 Density= 0.216368 ETOT(band)= -0.233260 trlgG= -0.294264 logG= -0.029175 TDE= -0.171547 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215238 ETOT(band)= -0.233243 trlgG= -0.292815 logG= -0.028721 TDE= -0.171120 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.023790 logG= -0.029044 Density= 0.215355 ETOT(band)= -0.233678 trlgG= -0.294079 logG= -0.029044 TDE= -0.171376 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023998 logG= -0.028763 Density= 0.321608 ETOT(band)= -0.350973 trlgG= -0.441193 logG= -0.028763 TDE= -0.171177 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.023839 logG= -0.028906 Density= 0.215516 ETOT(band)= -0.233675 trlgG= -0.294182 logG= -0.028906 TDE= -0.171064 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.024155 logG= -0.029191 Density= 0.322476 ETOT(band)= -0.351092 trlgG= -0.441875 logG= -0.029191 TDE= -0.171183 logGD-logG0= -0.005314 tlogG= -0.024112 logG= -0.029426 Density= 0.215736 ETOT(band)= -0.233930 trlgG= -0.295148 logG= -0.029426 TDE= -0.171561 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023947 logG= -0.029125 logGD-logG0= -0.005198 tlogG= -0.023753 logG= -0.028950 Density= 0.216293 ETOT(band)= -0.232958 trlgG= -0.293327 logG= -0.028950 TDE= -0.171379 Density= 0.216402 ETOT(band)= -0.233157 trlgG= -0.294032 logG= -0.029125 TDE= -0.171520 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023360 logG= -0.028037 Density= 0.321680 ETOT(band)= -0.349925 trlgG= -0.438618 logG= -0.028037 TDE= -0.170852 logGD-logG0= -0.004480 tlogG= -0.023579 logG= -0.028059 Density= 0.212662 ETOT(band)= -0.233894 trlgG= -0.292631 logG= -0.028059 TDE= -0.170646 logGD-logG0= -0.004424 tlogG= -0.023733 logG= -0.028157 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010161 tlogG= -0.045619 logG= -0.055780 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324072 ETOT(band)= -0.347825 trlgG= -0.434840 logG= -0.055780 TDE= -0.341362 Density= 0.213127 ETOT(band)= -0.233489 trlgG= -0.291660 logG= -0.028157 TDE= -0.170730 logGD-logG0= -0.010445 tlogG= -0.047217 logG= -0.057662 Density= 0.324156 ETOT(band)= -0.349426 trlgG= -0.439543 logG= -0.057662 TDE= -0.342542 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009669 tlogG= -0.046591 logG= -0.056260 logGD-logG0= -0.001186 tlogG= -0.005170 logG= -0.006356 Density= 0.062549 ETOT(band)= -0.067518 trlgG= -0.084180 logG= -0.006356 TDE= -0.042348 logGD-logG0= -0.005347 tlogG= -0.023947 logG= -0.029294 Density= 0.322742 ETOT(band)= -0.348886 trlgG= -0.436266 logG= -0.056260 TDE= -0.341515 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323687 ETOT(band)= -0.350536 trlgG= -0.441975 logG= -0.029294 TDE= -0.171433 logGD-logG0= -0.004593 tlogG= -0.023884 logG= -0.028477 Density= 0.213319 ETOT(band)= -0.233766 trlgG= -0.292392 logG= -0.028477 TDE= -0.170735 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010399 tlogG= -0.047767 logG= -0.058167 Density= 0.324372 ETOT(band)= -0.349795 trlgG= -0.440892 logG= -0.058167 TDE= -0.342933 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.024149 logG= -0.029160 Density= 0.214766 ETOT(band)= -0.234080 trlgG= -0.294432 logG= -0.029160 TDE= -0.171188 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010677 tlogG= -0.048025 logG= -0.058702 Density= 0.323276 ETOT(band)= -0.350860 trlgG= -0.442226 logG= -0.058702 TDE= -0.342924 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001581 tlogG= -0.006872 logG= -0.008453 Density= 0.040849 ETOT(band)= -0.042660 trlgG= -0.052785 logG= -0.008453 TDE= -0.056448 logGD-logG0= -0.005022 tlogG= -0.023238 logG= -0.028260 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.321744 ETOT(band)= -0.350433 trlgG= -0.439469 logG= -0.028260 TDE= -0.170807 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023888 logG= -0.029250 Density= 0.215664 ETOT(band)= -0.233677 trlgG= -0.294462 logG= -0.029250 TDE= -0.171384 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.022900 logG= -0.027858 logGD-logG0= -0.005240 tlogG= -0.024078 logG= -0.029318 Density= 0.214824 ETOT(band)= -0.232314 trlgG= -0.289597 logG= -0.027858 TDE= -0.170384 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323092 ETOT(band)= -0.351067 trlgG= -0.442527 logG= -0.029318 TDE= -0.171374 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010441 tlogG= -0.046397 logG= -0.056838 Density= 0.324023 ETOT(band)= -0.348769 trlgG= -0.437457 logG= -0.056838 TDE= -0.341985 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023674 logG= -0.029084 Density= 0.215428 ETOT(band)= -0.233528 trlgG= -0.293763 logG= -0.029084 TDE= -0.171207 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008937 tlogG= -0.048083 logG= -0.057020 Density= 0.425616 ETOT(band)= -0.468145 trlgG= -0.586250 logG= -0.057020 TDE= -0.341681 logGD-logG0= -0.009429 tlogG= -0.046701 logG= -0.056130 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427959 ETOT(band)= -0.465947 trlgG= -0.581648 logG= -0.056130 TDE= -0.341122 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010128 tlogG= -0.048133 logG= -0.058262 Density= 0.429352 ETOT(band)= -0.468092 trlgG= -0.588424 logG= -0.058262 TDE= -0.342216 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009625 tlogG= -0.047823 logG= -0.057449 Density= 0.428099 ETOT(band)= -0.467973 trlgG= -0.587647 logG= -0.057449 TDE= -0.342168 logGD-logG0= -0.010297 tlogG= -0.047942 logG= -0.058239 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429256 ETOT(band)= -0.468054 trlgG= -0.588066 logG= -0.058239 TDE= -0.342053 logGD-logG0= -0.010470 tlogG= -0.048058 logG= -0.058529 logGD-logG0= -0.009489 tlogG= -0.046592 logG= -0.056081 Density= 0.430188 ETOT(band)= -0.467931 trlgG= -0.588865 logG= -0.058529 TDE= -0.342553 Density= 0.428161 ETOT(band)= -0.466669 trlgG= -0.584254 logG= -0.056081 TDE= -0.341538 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010261 tlogG= -0.048208 logG= -0.058469 Density= 0.430082 ETOT(band)= -0.468100 trlgG= -0.589192 logG= -0.058469 TDE= -0.342427 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010750 tlogG= -0.047673 logG= -0.058423 Density= 0.431130 ETOT(band)= -0.467303 trlgG= -0.588520 logG= -0.058423 TDE= -0.342677 logGD-logG0= -0.010236 tlogG= -0.047655 logG= -0.057891 Density= 0.428350 ETOT(band)= -0.467959 trlgG= -0.586980 logG= -0.057891 TDE= -0.341809 logGD-logG0= -0.001570 tlogG= -0.007586 logG= -0.009156 Density= 0.071507 ETOT(band)= -0.077318 trlgG= -0.096124 logG= -0.009156 TDE= -0.056721 logGD-logG0= -0.004904 tlogG= -0.021294 logG= -0.026198 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162657 ETOT(band)= -0.172929 trlgG= -0.215859 logG= -0.026198 TDE= -0.169836 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009801 tlogG= -0.047839 logG= -0.057640 logGD-logG0= -0.009626 tlogG= -0.047641 logG= -0.057267 Density= 0.426744 ETOT(band)= -0.468179 trlgG= -0.586771 logG= -0.057267 TDE= -0.341699 logGD-logG0= -0.010639 tlogG= -0.047718 logG= -0.058356 Density= 0.430792 ETOT(band)= -0.467358 trlgG= -0.588158 logG= -0.058356 TDE= -0.342570 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429189 ETOT(band)= -0.467755 trlgG= -0.587629 logG= -0.057640 TDE= -0.342157 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009981 tlogG= -0.047544 logG= -0.057525 Density= 0.428665 ETOT(band)= -0.467304 trlgG= -0.586024 logG= -0.057525 TDE= -0.341854 logGD-logG0= -0.009581 tlogG= -0.047760 logG= -0.057340 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427244 ETOT(band)= -0.467732 trlgG= -0.585628 logG= -0.057340 TDE= -0.341401 logGD-logG0= -0.010300 tlogG= -0.046917 logG= -0.057217 Density= 0.429929 ETOT(band)= -0.466303 trlgG= -0.584030 logG= -0.057217 TDE= -0.341522 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009917 tlogG= -0.046386 logG= -0.056303 Density= 0.429585 ETOT(band)= -0.465385 trlgG= -0.581334 logG= -0.056303 TDE= -0.341235 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010675 tlogG= -0.047998 logG= -0.058672 Density= 0.431369 ETOT(band)= -0.467586 trlgG= -0.589513 logG= -0.058672 TDE= -0.342942 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010224 tlogG= -0.047557 logG= -0.057781 Density= 0.430057 ETOT(band)= -0.466950 trlgG= -0.585959 logG= -0.057781 TDE= -0.341967 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010698 tlogG= -0.047256 logG= -0.057954 Density= 0.430524 ETOT(band)= -0.466933 trlgG= -0.586686 logG= -0.057954 TDE= -0.342186 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005305 logG= -0.006510 Density= 0.081561 ETOT(band)= -0.085660 trlgG= -0.106183 logG= -0.006510 TDE= -0.042450 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004829 tlogG= -0.022320 logG= -0.027150 Density= 0.322909 ETOT(band)= -0.347855 trlgG= -0.433878 logG= -0.027150 TDE= -0.170201 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009955 tlogG= -0.044610 logG= -0.054565 Density= 0.324313 ETOT(band)= -0.346557 trlgG= -0.431832 logG= -0.054565 TDE= -0.340685 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007114 logG= -0.008806 Density= 0.072235 ETOT(band)= -0.076454 trlgG= -0.094816 logG= -0.008806 TDE= -0.056608 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004942 tlogG= -0.022285 logG= -0.027227 Density= 0.214293 ETOT(band)= -0.232352 trlgG= -0.289347 logG= -0.027227 TDE= -0.170119 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004290 tlogG= -0.024124 logG= -0.028414 Density= 0.212218 ETOT(band)= -0.234272 trlgG= -0.293576 logG= -0.028414 TDE= -0.170928 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.021872 logG= -0.026948 Density= 0.216641 ETOT(band)= -0.230210 trlgG= -0.286407 logG= -0.026948 TDE= -0.170180 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004987 tlogG= -0.021344 logG= -0.026331 Density= 0.217032 ETOT(band)= -0.229104 trlgG= -0.284206 logG= -0.026331 TDE= -0.169849 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009805 tlogG= -0.044611 logG= -0.054416 Density= 0.431648 ETOT(band)= -0.461922 trlgG= -0.574568 logG= -0.054416 TDE= -0.340320 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.022467 logG= -0.027376 Density= 0.215049 ETOT(band)= -0.231579 trlgG= -0.287955 logG= -0.027376 TDE= -0.170132 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004945 tlogG= -0.021199 logG= -0.026144 Density= 0.216363 ETOT(band)= -0.229961 trlgG= -0.285458 logG= -0.026144 TDE= -0.169755 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.700356705733 eV TrLogG= -407.157168130948 eV Ratio to renormalize= 0.999914927702 rho-rho_expected= 0.001871749779 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964536582988140 0.940163679365246 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001403 tlogG= -0.008042 logG= -0.009445 Density= 0.035321 ETOT(band)= -0.039058 trlgG= -0.048950 logG= -0.009445 TDE= -0.056984 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004619 tlogG= -0.023198 logG= -0.027817 Density= 0.106754 ETOT(band)= -0.116571 trlgG= -0.145410 logG= -0.027817 TDE= -0.170420 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.022401 logG= -0.027412 Density= 0.107646 ETOT(band)= -0.115918 trlgG= -0.144392 logG= -0.027412 TDE= -0.170248 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002403 tlogG= -0.010423 logG= -0.012825 Density= 0.054380 ETOT(band)= -0.057053 trlgG= -0.070674 logG= -0.012825 TDE= -0.084759 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001690 tlogG= -0.007302 logG= -0.008992 Density= 0.035848 ETOT(band)= -0.038561 trlgG= -0.047893 logG= -0.008992 TDE= -0.056640 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004903 tlogG= -0.021557 logG= -0.026460 Density= 0.108519 ETOT(band)= -0.114839 trlgG= -0.142783 logG= -0.026460 TDE= -0.170023 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005068 tlogG= -0.021811 logG= -0.026879 Density= 0.107799 ETOT(band)= -0.115491 trlgG= -0.143519 logG= -0.026879 TDE= -0.169984 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021688 logG= -0.026697 Density= 0.107941 ETOT(band)= -0.115299 trlgG= -0.143210 logG= -0.026697 TDE= -0.169929 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002332 tlogG= -0.011444 logG= -0.013776 Density= 0.053743 ETOT(band)= -0.058047 trlgG= -0.072474 logG= -0.013776 TDE= -0.085293 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002324 tlogG= -0.011879 logG= -0.014204 Density= 0.053569 ETOT(band)= -0.058377 trlgG= -0.073237 logG= -0.014204 TDE= -0.085542 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004543 ETOT(band)= -0.004731 trlgG= -0.005851 logG= -0.001048 TDE= -0.007051 logGD-logG0= -0.002419 tlogG= -0.012078 logG= -0.014497 Density= 0.053591 ETOT(band)= -0.058521 trlgG= -0.073599 logG= -0.014497 TDE= -0.085622 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005032 tlogG= -0.022726 logG= -0.027758 logGD-logG0= -0.004674 tlogG= -0.023663 logG= -0.028337 Density= 0.106616 ETOT(band)= -0.116908 trlgG= -0.146322 logG= -0.028337 TDE= -0.170744 logGD-logG0= -0.001485 tlogG= -0.007809 logG= -0.009293 Density= 0.108255 ETOT(band)= -0.115831 trlgG= -0.144952 logG= -0.027758 TDE= -0.170764 Density= 0.035499 ETOT(band)= -0.038908 trlgG= -0.048587 logG= -0.009293 TDE= -0.056861 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.022869 logG= -0.027978 Density= 0.107627 ETOT(band)= -0.116252 trlgG= -0.145287 logG= -0.027978 TDE= -0.170569 logGD-logG0= -0.004879 tlogG= -0.024061 logG= -0.028940 Density= 0.107071 ETOT(band)= -0.117046 trlgG= -0.147107 logG= -0.028940 TDE= -0.171151 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.023678 logG= -0.028385 logGD-logG0= -0.002601 tlogG= -0.012029 logG= -0.014630 Density= 0.106991 ETOT(band)= -0.116792 trlgG= -0.146430 logG= -0.028385 TDE= -0.170989 Density= 0.053768 ETOT(band)= -0.058511 trlgG= -0.073657 logG= -0.014630 TDE= -0.085634 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022974 logG= -0.028079 Density= 0.108142 ETOT(band)= -0.116067 trlgG= -0.145462 logG= -0.028079 TDE= -0.170898 logGD-logG0= -0.005036 tlogG= -0.022449 logG= -0.027486 Density= 0.108210 ETOT(band)= -0.115694 trlgG= -0.144516 logG= -0.027486 TDE= -0.170578 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.023754 logG= -0.028907 Density= 0.108184 ETOT(band)= -0.116499 trlgG= -0.146773 logG= -0.028907 TDE= -0.171401 logGD-logG0= -0.005276 tlogG= -0.024065 logG= -0.029341 Density= 0.107652 ETOT(band)= -0.117023 trlgG= -0.147461 logG= -0.029341 TDE= -0.171391 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002560 tlogG= -0.011979 logG= -0.014539 Density= 0.054140 ETOT(band)= -0.058275 trlgG= -0.073524 logG= -0.014539 TDE= -0.085776 logGD-logG0= -0.004539 tlogG= -0.024039 logG= -0.028579 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023421 logG= -0.028568 logGD-logG0= -0.004343 tlogG= -0.023967 logG= -0.028310 logGD-logG0= -0.004953 tlogG= -0.022162 logG= -0.027116 Density= 0.108365 ETOT(band)= -0.115389 trlgG= -0.143909 logG= -0.027116 TDE= -0.170418 Density= 0.106191 ETOT(band)= -0.117067 trlgG= -0.146613 logG= -0.028310 TDE= -0.170851 Density= 0.108137 ETOT(band)= -0.116337 trlgG= -0.146237 logG= -0.028568 TDE= -0.171180 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106408 ETOT(band)= -0.117101 trlgG= -0.146737 logG= -0.028579 TDE= -0.170815 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024077 logG= -0.029367 logGD-logG0= -0.004991 tlogG= -0.024085 logG= -0.029077 Density= 0.107391 ETOT(band)= -0.116987 trlgG= -0.147083 logG= -0.029077 TDE= -0.171149 Density= 0.107895 ETOT(band)= -0.116932 trlgG= -0.147527 logG= -0.029367 TDE= -0.171552 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023862 logG= -0.028989 logGD-logG0= -0.005227 tlogG= -0.023960 logG= -0.029187 Density= 0.107455 ETOT(band)= -0.117008 trlgG= -0.147187 logG= -0.029187 TDE= -0.171174 logGD-logG0= -0.002629 tlogG= -0.011983 logG= -0.014612 Density= 0.053986 ETOT(band)= -0.058395 trlgG= -0.073643 logG= -0.014612 TDE= -0.085747 logGD-logG0= -0.004992 tlogG= -0.023639 logG= -0.028631 Density= 0.106993 ETOT(band)= -0.116882 trlgG= -0.146238 logG= -0.028631 TDE= -0.170553 Density= 0.108254 ETOT(band)= -0.116510 trlgG= -0.146903 logG= -0.028989 TDE= -0.171484 logGD-logG0= -0.005129 tlogG= -0.023596 logG= -0.028725 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108209 ETOT(band)= -0.116384 trlgG= -0.146482 logG= -0.028725 TDE= -0.171304 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.024123 logG= -0.029445 logGD-logG0= -0.005284 tlogG= -0.023676 logG= -0.028961 Density= 0.107244 ETOT(band)= -0.116955 trlgG= -0.146790 logG= -0.028961 TDE= -0.170899 Density= 0.107819 ETOT(band)= -0.117020 trlgG= -0.147651 logG= -0.029445 TDE= -0.171560 logGD-logG0= -0.004706 tlogG= -0.022983 logG= -0.027688 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023207 logG= -0.028305 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106889 ETOT(band)= -0.116441 trlgG= -0.145149 logG= -0.027688 TDE= -0.170354 Density= 0.108200 ETOT(band)= -0.116160 trlgG= -0.145819 logG= -0.028305 TDE= -0.171057 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002463 tlogG= -0.010837 logG= -0.013300 Density= 0.054067 ETOT(band)= -0.057569 trlgG= -0.071518 logG= -0.013300 TDE= -0.084973 logGD-logG0= -0.004730 tlogG= -0.023494 logG= -0.028224 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106790 ETOT(band)= -0.116762 trlgG= -0.145895 logG= -0.028224 TDE= -0.170517 logGD-logG0= -0.004897 tlogG= -0.023888 logG= -0.028786 Density= 0.106773 ETOT(band)= -0.117063 trlgG= -0.146850 logG= -0.028786 TDE= -0.170901 logGD-logG0= -0.005309 tlogG= -0.023896 logG= -0.029205 Density= 0.107760 ETOT(band)= -0.116890 trlgG= -0.147247 logG= -0.029205 TDE= -0.171367 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.022844 logG= -0.027584 logGD-logG0= -0.004316 tlogG= -0.024044 logG= -0.028360 logGD-logG0= -0.005276 tlogG= -0.023860 logG= -0.029137 Density= 0.106140 ETOT(band)= -0.117110 trlgG= -0.146726 logG= -0.028360 TDE= -0.170889 Density= 0.107311 ETOT(band)= -0.116190 trlgG= -0.145000 logG= -0.027584 TDE= -0.170519 Density= 0.107923 ETOT(band)= -0.116759 trlgG= -0.147143 logG= -0.029137 TDE= -0.171412 logGD-logG0= -0.009780 tlogG= -0.048228 logG= -0.058008 logGD-logG0= -0.005299 tlogG= -0.023191 logG= -0.028490 Density= 0.214429 ETOT(band)= -0.234053 trlgG= -0.294290 logG= -0.058008 TDE= -0.342392 Density= 0.107693 ETOT(band)= -0.116500 trlgG= -0.146097 logG= -0.028490 TDE= -0.170899 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009469 tlogG= -0.045746 logG= -0.055214 Density= 0.215044 ETOT(band)= -0.232215 trlgG= -0.289903 logG= -0.055214 TDE= -0.341103 logGD-logG0= -0.005314 tlogG= -0.023570 logG= -0.028883 Density= 0.107809 ETOT(band)= -0.116662 trlgG= -0.146727 logG= -0.028883 TDE= -0.171193 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009646 tlogG= -0.047143 logG= -0.056789 Density= 0.213800 ETOT(band)= -0.233643 trlgG= -0.292711 logG= -0.056789 TDE= -0.341720 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009099 tlogG= -0.047619 logG= -0.056717 Density= 0.212965 ETOT(band)= -0.233937 trlgG= -0.292778 logG= -0.056717 TDE= -0.341446 logGD-logG0= -0.009800 tlogG= -0.047146 logG= -0.056945 logGD-logG0= -0.004862 tlogG= -0.022843 logG= -0.027705 Density= 0.107758 ETOT(band)= -0.116048 trlgG= -0.144876 logG= -0.027705 TDE= -0.170496 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213810 ETOT(band)= -0.233688 trlgG= -0.292503 logG= -0.056945 TDE= -0.341362 logGD-logG0= -0.009748 tlogG= -0.045575 logG= -0.055323 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009926 tlogG= -0.047884 logG= -0.057810 Density= 0.214393 ETOT(band)= -0.232562 trlgG= -0.290077 logG= -0.055323 TDE= -0.340847 logGD-logG0= -0.010456 tlogG= -0.048068 logG= -0.058525 Density= 0.215093 ETOT(band)= -0.234034 trlgG= -0.294638 logG= -0.058525 TDE= -0.342552 logGD-logG0= -0.009419 tlogG= -0.047432 logG= -0.056851 Density= 0.214341 ETOT(band)= -0.233476 trlgG= -0.292844 logG= -0.056851 TDE= -0.342060 logGD-logG0= -0.010501 tlogG= -0.047733 logG= -0.058235 Density= 0.214781 ETOT(band)= -0.233979 trlgG= -0.294125 logG= -0.058235 TDE= -0.342175 Density= 0.213999 ETOT(band)= -0.234089 trlgG= -0.293976 logG= -0.057810 TDE= -0.342063 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.047967 logG= -0.058271 Density= 0.215096 ETOT(band)= -0.233889 trlgG= -0.294221 logG= -0.058271 TDE= -0.342390 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009525 tlogG= -0.047921 logG= -0.057446 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001624 tlogG= -0.006989 logG= -0.008613 Density= 0.036198 ETOT(band)= -0.038114 trlgG= -0.047234 logG= -0.008613 TDE= -0.056533 Density= 0.213308 ETOT(band)= -0.234149 trlgG= -0.293422 logG= -0.057446 TDE= -0.341531 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047509 logG= -0.058112 Density= 0.215718 ETOT(band)= -0.233485 trlgG= -0.294015 logG= -0.058112 TDE= -0.342652 logGD-logG0= -0.010387 tlogG= -0.047300 logG= -0.057687 Density= 0.214290 ETOT(band)= -0.233871 trlgG= -0.293206 logG= -0.057687 TDE= -0.341560 logGD-logG0= -0.009852 tlogG= -0.045636 logG= -0.055488 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215174 ETOT(band)= -0.232292 trlgG= -0.289897 logG= -0.055488 TDE= -0.340887 logGD-logG0= -0.010162 tlogG= -0.047648 logG= -0.057810 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213980 ETOT(band)= -0.234076 trlgG= -0.293728 logG= -0.057810 TDE= -0.341806 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010558 tlogG= -0.047412 logG= -0.057970 logGD-logG0= -0.010163 tlogG= -0.046401 logG= -0.056564 Density= 0.215487 ETOT(band)= -0.233524 trlgG= -0.293773 logG= -0.057970 TDE= -0.342437 logGD-logG0= -0.010649 tlogG= -0.048135 logG= -0.058783 logGD-logG0= -0.010528 tlogG= -0.047922 logG= -0.058450 Density= 0.215443 ETOT(band)= -0.234053 trlgG= -0.295104 logG= -0.058783 TDE= -0.342932 logGD-logG0= -0.010049 tlogG= -0.048015 logG= -0.058063 Density= 0.215238 ETOT(band)= -0.232855 trlgG= -0.291529 logG= -0.056564 TDE= -0.341476 Density= 0.215912 ETOT(band)= -0.233602 trlgG= -0.294579 logG= -0.058450 TDE= -0.342973 Density= 0.214558 ETOT(band)= -0.234001 trlgG= -0.294041 logG= -0.058063 TDE= -0.342152 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.047870 logG= -0.058453 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215785 ETOT(band)= -0.233674 trlgG= -0.294579 logG= -0.058453 TDE= -0.342908 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010601 tlogG= -0.046869 logG= -0.057470 Density= 0.215450 ETOT(band)= -0.233247 trlgG= -0.292973 logG= -0.057470 TDE= -0.342118 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010075 tlogG= -0.047140 logG= -0.057215 Density= 0.215174 ETOT(band)= -0.233256 trlgG= -0.292545 logG= -0.057215 TDE= -0.341809 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021868 logG= -0.026857 logGD-logG0= -0.005265 tlogG= -0.024048 logG= -0.029314 Density= 0.108330 ETOT(band)= -0.115205 trlgG= -0.143461 logG= -0.026857 TDE= -0.170211 Density= 0.107954 ETOT(band)= -0.116865 trlgG= -0.147439 logG= -0.029314 TDE= -0.171546 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004823 tlogG= -0.020982 logG= -0.025805 logGD-logG0= -0.010537 tlogG= -0.048003 logG= -0.058540 Density= 0.215129 ETOT(band)= -0.234026 trlgG= -0.294665 logG= -0.058540 TDE= -0.342582 Density= 0.108714 ETOT(band)= -0.114252 trlgG= -0.141627 logG= -0.025805 TDE= -0.169619 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010012 tlogG= -0.043376 logG= -0.053388 Density= 0.216294 ETOT(band)= -0.230389 trlgG= -0.286399 logG= -0.053388 TDE= -0.340044 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004424 tlogG= -0.023733 logG= -0.028157 Density= 0.213126 ETOT(band)= -0.233488 trlgG= -0.291658 logG= -0.028157 TDE= -0.170730 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001186 tlogG= -0.005170 logG= -0.006356 Density= 0.062549 ETOT(band)= -0.067518 trlgG= -0.084180 logG= -0.006356 TDE= -0.042348 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004959 tlogG= -0.022900 logG= -0.027858 Density= 0.214824 ETOT(band)= -0.232313 trlgG= -0.289596 logG= -0.027858 TDE= -0.170383 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001570 tlogG= -0.007586 logG= -0.009156 Density= 0.071507 ETOT(band)= -0.077318 trlgG= -0.096123 logG= -0.009156 TDE= -0.056721 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005305 logG= -0.006510 Density= 0.081561 ETOT(band)= -0.085659 trlgG= -0.106183 logG= -0.006510 TDE= -0.042450 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004909 tlogG= -0.022467 logG= -0.027376 Density= 0.215049 ETOT(band)= -0.231578 trlgG= -0.287954 logG= -0.027376 TDE= -0.170131 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023681 logG= -0.028509 Density= 0.107391 ETOT(band)= -0.116676 trlgG= -0.146342 logG= -0.028509 TDE= -0.170975 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010365 tlogG= -0.047773 logG= -0.058138 Density= 0.214681 ETOT(band)= -0.233972 trlgG= -0.293955 logG= -0.058138 TDE= -0.342052 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.021872 logG= -0.026948 Density= 0.216640 ETOT(band)= -0.230209 trlgG= -0.286406 logG= -0.026948 TDE= -0.170180 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009774 tlogG= -0.047210 logG= -0.056984 logGD-logG0= -0.005140 tlogG= -0.023941 logG= -0.029080 Density= 0.108234 ETOT(band)= -0.116574 trlgG= -0.147052 logG= -0.029080 TDE= -0.171531 Density= 0.214505 ETOT(band)= -0.233439 trlgG= -0.292620 logG= -0.056984 TDE= -0.341784 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004946 tlogG= -0.021199 logG= -0.026144 Density= 0.216362 ETOT(band)= -0.229960 trlgG= -0.285457 logG= -0.026144 TDE= -0.169755 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001236 tlogG= -0.005617 logG= -0.006854 Density= 0.080846 ETOT(band)= -0.086936 trlgG= -0.108575 logG= -0.006854 TDE= -0.042658 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080645 ETOT(band)= -0.087364 trlgG= -0.109576 logG= -0.007003 TDE= -0.042735 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080657 ETOT(band)= -0.087580 trlgG= -0.110131 logG= -0.007125 TDE= -0.042800 logGD-logG0= -0.001277 tlogG= -0.005937 logG= -0.007213 logGD-logG0= -0.004776 tlogG= -0.023236 logG= -0.028012 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213535 ETOT(band)= -0.233519 trlgG= -0.292120 logG= -0.028012 TDE= -0.170695 Density= 0.080839 ETOT(band)= -0.087616 trlgG= -0.110329 logG= -0.007213 TDE= -0.042854 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001430 tlogG= -0.007963 logG= -0.009393 Density= 0.070881 ETOT(band)= -0.077916 trlgG= -0.097417 logG= -0.009393 TDE= -0.056945 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004732 tlogG= -0.023999 logG= -0.028731 Density= 0.214151 ETOT(band)= -0.233993 trlgG= -0.294030 logG= -0.028731 TDE= -0.171181 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005160 tlogG= -0.023190 logG= -0.028350 Density= 0.214893 ETOT(band)= -0.232867 trlgG= -0.291125 logG= -0.028350 TDE= -0.170569 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004480 tlogG= -0.023579 logG= -0.028059 Density= 0.212662 ETOT(band)= -0.233893 trlgG= -0.292630 logG= -0.028059 TDE= -0.170645 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.022959 logG= -0.028135 Density= 0.216241 ETOT(band)= -0.232003 trlgG= -0.290503 logG= -0.028135 TDE= -0.170853 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004593 tlogG= -0.023884 logG= -0.028477 logGD-logG0= -0.004645 tlogG= -0.023363 logG= -0.028008 Density= 0.213318 ETOT(band)= -0.233765 trlgG= -0.292391 logG= -0.028477 TDE= -0.170734 Density= 0.214214 ETOT(band)= -0.233281 trlgG= -0.292237 logG= -0.028008 TDE= -0.170859 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001581 tlogG= -0.006872 logG= -0.008453 Density= 0.040849 ETOT(band)= -0.042660 trlgG= -0.052785 logG= -0.008453 TDE= -0.056448 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005222 tlogG= -0.023991 logG= -0.029213 Density= 0.215704 ETOT(band)= -0.233773 trlgG= -0.294733 logG= -0.029213 TDE= -0.171528 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004290 tlogG= -0.024124 logG= -0.028414 Density= 0.212217 ETOT(band)= -0.234270 trlgG= -0.293575 logG= -0.028414 TDE= -0.170927 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.023790 logG= -0.029045 Density= 0.215355 ETOT(band)= -0.233677 trlgG= -0.294078 logG= -0.029045 TDE= -0.171376 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005981 logG= -0.007257 Density= 0.081066 ETOT(band)= -0.087520 trlgG= -0.110384 logG= -0.007257 TDE= -0.042884 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.024112 logG= -0.029426 Density= 0.215736 ETOT(band)= -0.233929 trlgG= -0.295147 logG= -0.029426 TDE= -0.171560 logGD-logG0= -0.004765 tlogG= -0.023998 logG= -0.028763 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321608 ETOT(band)= -0.350972 trlgG= -0.441192 logG= -0.028763 TDE= -0.171176 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001692 tlogG= -0.007114 logG= -0.008806 Density= 0.072235 ETOT(band)= -0.076454 trlgG= -0.094815 logG= -0.008806 TDE= -0.056608 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004943 tlogG= -0.022284 logG= -0.027227 Density= 0.214292 ETOT(band)= -0.232350 trlgG= -0.289345 logG= -0.027227 TDE= -0.170118 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005113 tlogG= -0.022433 logG= -0.027545 logGD-logG0= -0.005011 tlogG= -0.024149 logG= -0.029160 logGD-logG0= -0.005178 tlogG= -0.023947 logG= -0.029125 Density= 0.216401 ETOT(band)= -0.233156 trlgG= -0.294031 logG= -0.029125 TDE= -0.171519 Density= 0.216386 ETOT(band)= -0.231206 trlgG= -0.288520 logG= -0.027545 TDE= -0.170519 logGD-logG0= -0.001224 tlogG= -0.005466 logG= -0.006690 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214766 ETOT(band)= -0.234079 trlgG= -0.294431 logG= -0.029160 TDE= -0.171187 Density= 0.081206 ETOT(band)= -0.086325 trlgG= -0.107340 logG= -0.006690 TDE= -0.042561 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005070 tlogG= -0.023949 logG= -0.029019 Density= 0.214368 ETOT(band)= -0.234005 trlgG= -0.293813 logG= -0.029019 TDE= -0.171014 logGD-logG0= -0.004905 tlogG= -0.023878 logG= -0.028784 Density= 0.213820 ETOT(band)= -0.233916 trlgG= -0.292902 logG= -0.028784 TDE= -0.170743 logGD-logG0= -0.004567 tlogG= -0.023966 logG= -0.028533 Density= 0.212848 ETOT(band)= -0.234172 trlgG= -0.293381 logG= -0.028533 TDE= -0.170782 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010399 tlogG= -0.047767 logG= -0.058167 Density= 0.324371 ETOT(band)= -0.349793 trlgG= -0.440891 logG= -0.058167 TDE= -0.342932 logGD-logG0= -0.005036 tlogG= -0.024155 logG= -0.029191 Density= 0.322475 ETOT(band)= -0.351090 trlgG= -0.441873 logG= -0.029191 TDE= -0.171182 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010162 tlogG= -0.045619 logG= -0.055780 logGD-logG0= -0.005198 tlogG= -0.023753 logG= -0.028950 Density= 0.324071 ETOT(band)= -0.347824 trlgG= -0.434838 logG= -0.055780 TDE= -0.341361 Density= 0.216292 ETOT(band)= -0.232957 trlgG= -0.293326 logG= -0.028950 TDE= -0.171378 logGD-logG0= -0.005204 tlogG= -0.023406 logG= -0.028610 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216213 ETOT(band)= -0.232577 trlgG= -0.292118 logG= -0.028610 TDE= -0.171140 logGD-logG0= -0.005240 tlogG= -0.024078 logG= -0.029318 Density= 0.323092 ETOT(band)= -0.351065 trlgG= -0.442525 logG= -0.029318 TDE= -0.171373 logGD-logG0= -0.010441 tlogG= -0.046397 logG= -0.056838 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324022 ETOT(band)= -0.348768 trlgG= -0.437456 logG= -0.056838 TDE= -0.341984 logGD-logG0= -0.004677 tlogG= -0.023360 logG= -0.028037 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321679 ETOT(band)= -0.349924 trlgG= -0.438616 logG= -0.028037 TDE= -0.170851 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010445 tlogG= -0.047217 logG= -0.057662 Density= 0.324156 ETOT(band)= -0.349425 trlgG= -0.439542 logG= -0.057662 TDE= -0.342540 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005362 tlogG= -0.023888 logG= -0.029250 Density= 0.215664 ETOT(band)= -0.233676 trlgG= -0.294461 logG= -0.029250 TDE= -0.171384 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.021344 logG= -0.026331 Density= 0.217032 ETOT(band)= -0.229103 trlgG= -0.284205 logG= -0.026331 TDE= -0.169848 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010678 tlogG= -0.048025 logG= -0.058703 Density= 0.323276 ETOT(band)= -0.350858 trlgG= -0.442224 logG= -0.058703 TDE= -0.342922 logGD-logG0= -0.005022 tlogG= -0.023238 logG= -0.028261 Density= 0.321744 ETOT(band)= -0.350432 trlgG= -0.439467 logG= -0.028261 TDE= -0.170806 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004827 tlogG= -0.023828 logG= -0.028655 Density= 0.213607 ETOT(band)= -0.234053 trlgG= -0.293637 logG= -0.028655 TDE= -0.170999 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005410 tlogG= -0.023674 logG= -0.029084 Density= 0.215428 ETOT(band)= -0.233527 trlgG= -0.293762 logG= -0.029084 TDE= -0.171206 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008937 tlogG= -0.048083 logG= -0.057020 Density= 0.425615 ETOT(band)= -0.468142 trlgG= -0.586247 logG= -0.057020 TDE= -0.341680 logGD-logG0= -0.005347 tlogG= -0.023947 logG= -0.029294 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323686 ETOT(band)= -0.350534 trlgG= -0.441973 logG= -0.029294 TDE= -0.171432 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.023839 logG= -0.028906 Density= 0.215515 ETOT(band)= -0.233674 trlgG= -0.294181 logG= -0.028906 TDE= -0.171063 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009489 tlogG= -0.046592 logG= -0.056081 Density= 0.428160 ETOT(band)= -0.466667 trlgG= -0.584252 logG= -0.056081 TDE= -0.341537 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005426 tlogG= -0.023350 logG= -0.028776 Density= 0.215130 ETOT(band)= -0.233268 trlgG= -0.292620 logG= -0.028776 TDE= -0.170913 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010236 tlogG= -0.047655 logG= -0.057891 Density= 0.428349 ETOT(band)= -0.467957 trlgG= -0.586978 logG= -0.057891 TDE= -0.341808 logGD-logG0= -0.010129 tlogG= -0.048133 logG= -0.058262 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009429 tlogG= -0.046701 logG= -0.056130 Density= 0.427959 ETOT(band)= -0.465945 trlgG= -0.581645 logG= -0.056130 TDE= -0.341120 Density= 0.429351 ETOT(band)= -0.468090 trlgG= -0.588422 logG= -0.058262 TDE= -0.342214 logGD-logG0= -0.009669 tlogG= -0.046591 logG= -0.056260 logGD-logG0= -0.009626 tlogG= -0.047823 logG= -0.057449 Density= 0.428098 ETOT(band)= -0.467971 trlgG= -0.587644 logG= -0.057449 TDE= -0.342167 logGD-logG0= -0.010751 tlogG= -0.047673 logG= -0.058423 Density= 0.322742 ETOT(band)= -0.348884 trlgG= -0.436265 logG= -0.056260 TDE= -0.341513 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431129 ETOT(band)= -0.467301 trlgG= -0.588518 logG= -0.058423 TDE= -0.342676 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010471 tlogG= -0.048058 logG= -0.058529 Density= 0.430187 ETOT(band)= -0.467929 trlgG= -0.588863 logG= -0.058529 TDE= -0.342551 logGD-logG0= -0.010639 tlogG= -0.047718 logG= -0.058356 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430791 ETOT(band)= -0.467356 trlgG= -0.588155 logG= -0.058356 TDE= -0.342569 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009581 tlogG= -0.047760 logG= -0.057340 Density= 0.427244 ETOT(band)= -0.467729 trlgG= -0.585625 logG= -0.057340 TDE= -0.341399 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004904 tlogG= -0.021294 logG= -0.026198 Density= 0.162657 ETOT(band)= -0.172929 trlgG= -0.215858 logG= -0.026198 TDE= -0.169835 logGD-logG0= -0.009917 tlogG= -0.046385 logG= -0.056303 Density= 0.429584 ETOT(band)= -0.465383 trlgG= -0.581332 logG= -0.056303 TDE= -0.341233 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009627 tlogG= -0.047641 logG= -0.057267 Density= 0.426743 ETOT(band)= -0.468176 trlgG= -0.586768 logG= -0.057267 TDE= -0.341697 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010675 tlogG= -0.047998 logG= -0.058673 Density= 0.431368 ETOT(band)= -0.467584 trlgG= -0.589511 logG= -0.058673 TDE= -0.342940 logGD-logG0= -0.010300 tlogG= -0.046917 logG= -0.057217 Density= 0.429928 ETOT(band)= -0.466301 trlgG= -0.584028 logG= -0.057217 TDE= -0.341521 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009801 tlogG= -0.047839 logG= -0.057640 Density= 0.429188 ETOT(band)= -0.467753 trlgG= -0.587626 logG= -0.057640 TDE= -0.342155 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010698 tlogG= -0.047256 logG= -0.057955 Density= 0.430523 ETOT(band)= -0.466931 trlgG= -0.586684 logG= -0.057955 TDE= -0.342185 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022320 logG= -0.027150 Density= 0.322909 ETOT(band)= -0.347854 trlgG= -0.433876 logG= -0.027150 TDE= -0.170200 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010224 tlogG= -0.047557 logG= -0.057781 Density= 0.430056 ETOT(band)= -0.466948 trlgG= -0.585957 logG= -0.057781 TDE= -0.341965 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010261 tlogG= -0.048208 logG= -0.058469 Density= 0.430082 ETOT(band)= -0.468098 trlgG= -0.589190 logG= -0.058469 TDE= -0.342426 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009955 tlogG= -0.044610 logG= -0.054565 Density= 0.324313 ETOT(band)= -0.346555 trlgG= -0.431831 logG= -0.054565 TDE= -0.340684 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004789 tlogG= -0.022320 logG= -0.027109 Density= 0.215054 ETOT(band)= -0.231866 trlgG= -0.288997 logG= -0.027109 TDE= -0.170205 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005244 tlogG= -0.023477 logG= -0.028721 Density= 0.215237 ETOT(band)= -0.233242 trlgG= -0.292814 logG= -0.028721 TDE= -0.171119 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010297 tlogG= -0.047942 logG= -0.058239 Density= 0.429255 ETOT(band)= -0.468051 trlgG= -0.588064 logG= -0.058239 TDE= -0.342052 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005185 tlogG= -0.023990 logG= -0.029175 Density= 0.216368 ETOT(band)= -0.233259 trlgG= -0.294263 logG= -0.029175 TDE= -0.171546 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009805 tlogG= -0.044611 logG= -0.054416 Density= 0.431647 ETOT(band)= -0.461920 trlgG= -0.574566 logG= -0.054416 TDE= -0.340319 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009982 tlogG= -0.047544 logG= -0.057525 Density= 0.428665 ETOT(band)= -0.467302 trlgG= -0.586021 logG= -0.057525 TDE= -0.341853 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.698878950001 eV TrLogG= -407.155274353112 eV Ratio to renormalize= 0.999916932751 rho-rho_expected= 0.001827631293 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964519669993518 0.940138440306911 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002420 tlogG= -0.012078 logG= -0.014497 Density= 0.053591 ETOT(band)= -0.058520 trlgG= -0.073598 logG= -0.014497 TDE= -0.085620 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001485 tlogG= -0.007809 logG= -0.009293 Density= 0.035499 ETOT(band)= -0.038907 trlgG= -0.048586 logG= -0.009293 TDE= -0.056860 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005228 tlogG= -0.023959 logG= -0.029187 logGD-logG0= -0.001403 tlogG= -0.008042 logG= -0.009445 Density= 0.035321 ETOT(band)= -0.039057 trlgG= -0.048949 logG= -0.009445 TDE= -0.056983 Density= 0.107454 ETOT(band)= -0.117007 trlgG= -0.147184 logG= -0.029187 TDE= -0.171171 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009099 tlogG= -0.047618 logG= -0.056717 Density= 0.212964 ETOT(band)= -0.233933 trlgG= -0.292773 logG= -0.056717 TDE= -0.341441 logGD-logG0= -0.009800 tlogG= -0.047145 logG= -0.056945 Density= 0.213809 ETOT(band)= -0.233684 trlgG= -0.292498 logG= -0.056945 TDE= -0.341357 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009526 tlogG= -0.047920 logG= -0.057446 Density= 0.213307 ETOT(band)= -0.234145 trlgG= -0.293417 logG= -0.057446 TDE= -0.341526 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004317 tlogG= -0.024043 logG= -0.028360 Density= 0.106139 ETOT(band)= -0.117108 trlgG= -0.146723 logG= -0.028360 TDE= -0.170886 logGD-logG0= -0.004730 tlogG= -0.023494 logG= -0.028224 Density= 0.106790 ETOT(band)= -0.116761 trlgG= -0.145893 logG= -0.028224 TDE= -0.170514 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.022401 logG= -0.027412 Density= 0.107645 ETOT(band)= -0.115916 trlgG= -0.144390 logG= -0.027412 TDE= -0.170246 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009853 tlogG= -0.045635 logG= -0.055488 Density= 0.215173 ETOT(band)= -0.232288 trlgG= -0.289892 logG= -0.055488 TDE= -0.340883 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004989 tlogG= -0.021867 logG= -0.026856 Density= 0.108329 ETOT(band)= -0.115203 trlgG= -0.143459 logG= -0.026856 TDE= -0.170209 logGD-logG0= -0.002403 tlogG= -0.010423 logG= -0.012825 Density= 0.054379 ETOT(band)= -0.057052 trlgG= -0.070673 logG= -0.012825 TDE= -0.084758 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004543 ETOT(band)= -0.004731 trlgG= -0.005850 logG= -0.001048 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004903 tlogG= -0.021557 logG= -0.026460 Density= 0.108518 ETOT(band)= -0.114837 trlgG= -0.142781 logG= -0.026460 TDE= -0.170020 logGD-logG0= -0.002324 tlogG= -0.011879 logG= -0.014204 Density= 0.053569 ETOT(band)= -0.058376 trlgG= -0.073236 logG= -0.014204 TDE= -0.085541 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.043375 logG= -0.053388 Density= 0.216292 ETOT(band)= -0.230386 trlgG= -0.286395 logG= -0.053388 TDE= -0.340039 logGD-logG0= -0.002602 tlogG= -0.012028 logG= -0.014630 Density= 0.053768 ETOT(band)= -0.058510 trlgG= -0.073656 logG= -0.014630 TDE= -0.085633 logGD-logG0= -0.004823 tlogG= -0.020982 logG= -0.025805 Density= 0.108713 ETOT(band)= -0.114251 trlgG= -0.141626 logG= -0.025805 TDE= -0.169617 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002332 tlogG= -0.011444 logG= -0.013776 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.053743 ETOT(band)= -0.058046 trlgG= -0.072473 logG= -0.013776 TDE= -0.085292 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005147 tlogG= -0.023421 logG= -0.028568 Density= 0.108136 ETOT(band)= -0.116335 trlgG= -0.146235 logG= -0.028568 TDE= -0.171178 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004344 tlogG= -0.023966 logG= -0.028310 logGD-logG0= -0.005277 tlogG= -0.024064 logG= -0.029341 logGD-logG0= -0.005153 tlogG= -0.023754 logG= -0.028907 logGD-logG0= -0.005140 tlogG= -0.023940 logG= -0.029080 Density= 0.108233 ETOT(band)= -0.116573 trlgG= -0.147050 logG= -0.029080 TDE= -0.171528 Density= 0.108183 ETOT(band)= -0.116498 trlgG= -0.146771 logG= -0.028907 TDE= -0.171398 Density= 0.107651 ETOT(band)= -0.117022 trlgG= -0.147459 logG= -0.029341 TDE= -0.171389 logGD-logG0= -0.004863 tlogG= -0.022842 logG= -0.027705 Density= 0.107757 ETOT(band)= -0.116046 trlgG= -0.144874 logG= -0.027705 TDE= -0.170493 logGD-logG0= -0.004539 tlogG= -0.024039 logG= -0.028578 logGD-logG0= -0.004829 tlogG= -0.023680 logG= -0.028509 Density= 0.107390 ETOT(band)= -0.116674 trlgG= -0.146340 logG= -0.028509 TDE= -0.170973 Density= 0.106407 ETOT(band)= -0.117099 trlgG= -0.146735 logG= -0.028578 TDE= -0.170812 Density= 0.106191 ETOT(band)= -0.117065 trlgG= -0.146610 logG= -0.028310 TDE= -0.170849 logGD-logG0= -0.002560 tlogG= -0.011979 logG= -0.014539 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054140 ETOT(band)= -0.058274 trlgG= -0.073523 logG= -0.014539 TDE= -0.085775 logGD-logG0= -0.002629 tlogG= -0.011982 logG= -0.014611 Density= 0.053986 ETOT(band)= -0.058394 trlgG= -0.073642 logG= -0.014611 TDE= -0.085746 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.022973 logG= -0.028079 logGD-logG0= -0.005291 tlogG= -0.024076 logG= -0.029367 logGD-logG0= -0.005037 tlogG= -0.022449 logG= -0.027485 Density= 0.108141 ETOT(band)= -0.116065 trlgG= -0.145460 logG= -0.028079 TDE= -0.170895 Density= 0.107895 ETOT(band)= -0.116931 trlgG= -0.147524 logG= -0.029367 TDE= -0.171549 Density= 0.108210 ETOT(band)= -0.115692 trlgG= -0.144514 logG= -0.027485 TDE= -0.170576 logGD-logG0= -0.005323 tlogG= -0.024122 logG= -0.029445 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107818 ETOT(band)= -0.117018 trlgG= -0.147649 logG= -0.029445 TDE= -0.171557 logGD-logG0= -0.005129 tlogG= -0.023596 logG= -0.028725 logGD-logG0= -0.004619 tlogG= -0.023198 logG= -0.027817 Density= 0.106754 ETOT(band)= -0.116569 trlgG= -0.145408 logG= -0.027817 TDE= -0.170418 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108208 ETOT(band)= -0.116382 trlgG= -0.146480 logG= -0.028725 TDE= -0.171302 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.023896 logG= -0.029205 logGD-logG0= -0.005098 tlogG= -0.023207 logG= -0.028305 Density= 0.108200 ETOT(band)= -0.116159 trlgG= -0.145816 logG= -0.028305 TDE= -0.171054 Density= 0.107760 ETOT(band)= -0.116888 trlgG= -0.147244 logG= -0.029205 TDE= -0.171364 logGD-logG0= -0.005285 tlogG= -0.023676 logG= -0.028961 logGD-logG0= -0.004706 tlogG= -0.022982 logG= -0.027688 Density= 0.106889 ETOT(band)= -0.116439 trlgG= -0.145146 logG= -0.027688 TDE= -0.170352 Density= 0.107243 ETOT(band)= -0.116953 trlgG= -0.146788 logG= -0.028961 TDE= -0.170896 logGD-logG0= -0.004992 tlogG= -0.023638 logG= -0.028631 Density= 0.106992 ETOT(band)= -0.116880 trlgG= -0.146236 logG= -0.028631 TDE= -0.170551 logGD-logG0= -0.005127 tlogG= -0.023862 logG= -0.028989 Density= 0.108253 ETOT(band)= -0.116509 trlgG= -0.146901 logG= -0.028989 TDE= -0.171481 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005032 tlogG= -0.022725 logG= -0.027758 Density= 0.108254 ETOT(band)= -0.115829 trlgG= -0.144950 logG= -0.027758 TDE= -0.170762 logGD-logG0= -0.004954 tlogG= -0.022162 logG= -0.027116 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.023662 logG= -0.028337 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108365 ETOT(band)= -0.115387 trlgG= -0.143907 logG= -0.027116 TDE= -0.170416 Density= 0.106616 ETOT(band)= -0.116906 trlgG= -0.146319 logG= -0.028337 TDE= -0.170741 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004707 tlogG= -0.023678 logG= -0.028385 Density= 0.106991 ETOT(band)= -0.116791 trlgG= -0.146427 logG= -0.028385 TDE= -0.170987 logGD-logG0= -0.005109 tlogG= -0.022869 logG= -0.027977 Density= 0.107626 ETOT(band)= -0.116250 trlgG= -0.145285 logG= -0.027977 TDE= -0.170567 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.024060 logG= -0.028939 Density= 0.107070 ETOT(band)= -0.117044 trlgG= -0.147104 logG= -0.028939 TDE= -0.171148 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004897 tlogG= -0.023888 logG= -0.028785 logGD-logG0= -0.005277 tlogG= -0.023860 logG= -0.029137 Density= 0.106773 ETOT(band)= -0.117062 trlgG= -0.146848 logG= -0.028785 TDE= -0.170899 Density= 0.107922 ETOT(band)= -0.116758 trlgG= -0.147140 logG= -0.029137 TDE= -0.171409 logGD-logG0= -0.005299 tlogG= -0.023190 logG= -0.028490 Density= 0.107692 ETOT(band)= -0.116499 trlgG= -0.146095 logG= -0.028490 TDE= -0.170897 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004992 tlogG= -0.024085 logG= -0.029076 Density= 0.107390 ETOT(band)= -0.116985 trlgG= -0.147081 logG= -0.029076 TDE= -0.171147 logGD-logG0= -0.004740 tlogG= -0.022844 logG= -0.027583 logGD-logG0= -0.005266 tlogG= -0.024048 logG= -0.029313 Density= 0.107311 ETOT(band)= -0.116188 trlgG= -0.144997 logG= -0.027583 TDE= -0.170516 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107953 ETOT(band)= -0.116864 trlgG= -0.147436 logG= -0.029313 TDE= -0.171544 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009781 tlogG= -0.048227 logG= -0.058008 Density= 0.214427 ETOT(band)= -0.234049 trlgG= -0.294285 logG= -0.058008 TDE= -0.342387 logGD-logG0= -0.005314 tlogG= -0.023569 logG= -0.028883 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107808 ETOT(band)= -0.116661 trlgG= -0.146725 logG= -0.028883 TDE= -0.171190 logGD-logG0= -0.009470 tlogG= -0.045744 logG= -0.055214 Density= 0.215042 ETOT(band)= -0.232211 trlgG= -0.289899 logG= -0.055214 TDE= -0.341098 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009647 tlogG= -0.047142 logG= -0.056789 logGD-logG0= -0.009749 tlogG= -0.045574 logG= -0.055322 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213799 ETOT(band)= -0.233639 trlgG= -0.292706 logG= -0.056789 TDE= -0.341715 Density= 0.214392 ETOT(band)= -0.232558 trlgG= -0.290073 logG= -0.055322 TDE= -0.340842 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010502 tlogG= -0.047732 logG= -0.058234 Density= 0.214780 ETOT(band)= -0.233976 trlgG= -0.294120 logG= -0.058234 TDE= -0.342170 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010304 tlogG= -0.047966 logG= -0.058271 logGD-logG0= -0.010457 tlogG= -0.048067 logG= -0.058524 Density= 0.215091 ETOT(band)= -0.234031 trlgG= -0.294633 logG= -0.058524 TDE= -0.342547 Density= 0.215094 ETOT(band)= -0.233886 trlgG= -0.294216 logG= -0.058271 TDE= -0.342385 logGD-logG0= -0.009926 tlogG= -0.047883 logG= -0.057809 Density= 0.213998 ETOT(band)= -0.234085 trlgG= -0.293971 logG= -0.057809 TDE= -0.342058 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010537 tlogG= -0.048002 logG= -0.058539 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215128 ETOT(band)= -0.234022 trlgG= -0.294660 logG= -0.058539 TDE= -0.342577 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009420 tlogG= -0.047430 logG= -0.056851 Density= 0.214339 ETOT(band)= -0.233472 trlgG= -0.292839 logG= -0.056851 TDE= -0.342055 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001624 tlogG= -0.006989 logG= -0.008613 Density= 0.036197 ETOT(band)= -0.038113 trlgG= -0.047234 logG= -0.008613 TDE= -0.056533 logGD-logG0= -0.001690 tlogG= -0.007302 logG= -0.008992 Density= 0.035848 ETOT(band)= -0.038560 trlgG= -0.047892 logG= -0.008992 TDE= -0.056640 logGD-logG0= -0.010049 tlogG= -0.048013 logG= -0.058063 Density= 0.214556 ETOT(band)= -0.233997 trlgG= -0.294036 logG= -0.058063 TDE= -0.342147 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010530 tlogG= -0.047921 logG= -0.058450 Density= 0.215911 ETOT(band)= -0.233599 trlgG= -0.294574 logG= -0.058450 TDE= -0.342968 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010162 tlogG= -0.047647 logG= -0.057810 Density= 0.213979 ETOT(band)= -0.234072 trlgG= -0.293723 logG= -0.057810 TDE= -0.341801 logGD-logG0= -0.010387 tlogG= -0.047299 logG= -0.057687 Density= 0.214289 ETOT(band)= -0.233867 trlgG= -0.293201 logG= -0.057687 TDE= -0.341555 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010366 tlogG= -0.047772 logG= -0.058138 Density= 0.214680 ETOT(band)= -0.233969 trlgG= -0.293950 logG= -0.058138 TDE= -0.342047 logGD-logG0= -0.010649 tlogG= -0.048133 logG= -0.058783 logGD-logG0= -0.010603 tlogG= -0.047508 logG= -0.058111 Density= 0.215441 ETOT(band)= -0.234049 trlgG= -0.295099 logG= -0.058783 TDE= -0.342927 Density= 0.215716 ETOT(band)= -0.233482 trlgG= -0.294011 logG= -0.058111 TDE= -0.342647 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010164 tlogG= -0.046400 logG= -0.056563 Density= 0.215237 ETOT(band)= -0.232852 trlgG= -0.291524 logG= -0.056563 TDE= -0.341471 logGD-logG0= -0.002463 tlogG= -0.010837 logG= -0.013300 logGD-logG0= -0.010584 tlogG= -0.047869 logG= -0.058453 Density= 0.054067 ETOT(band)= -0.057568 trlgG= -0.071517 logG= -0.013300 TDE= -0.084972 Density= 0.215783 ETOT(band)= -0.233670 trlgG= -0.294575 logG= -0.058453 TDE= -0.342903 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010559 tlogG= -0.047411 logG= -0.057970 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215486 ETOT(band)= -0.233521 trlgG= -0.293769 logG= -0.057970 TDE= -0.342432 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.046868 logG= -0.057470 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215448 ETOT(band)= -0.233244 trlgG= -0.292969 logG= -0.057470 TDE= -0.342113 logGD-logG0= -0.009775 tlogG= -0.047209 logG= -0.056983 Density= 0.214503 ETOT(band)= -0.233435 trlgG= -0.292615 logG= -0.056983 TDE= -0.341779 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010075 tlogG= -0.047139 logG= -0.057214 Density= 0.215172 ETOT(band)= -0.233253 trlgG= -0.292540 logG= -0.057214 TDE= -0.341804 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005069 tlogG= -0.021810 logG= -0.026879 Density= 0.107799 ETOT(band)= -0.115489 trlgG= -0.143517 logG= -0.026879 TDE= -0.169982 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.021687 logG= -0.026696 Density= 0.107941 ETOT(band)= -0.115297 trlgG= -0.143208 logG= -0.026696 TDE= -0.169926 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001272 tlogG= -0.005853 logG= -0.007125 Density= 0.080656 ETOT(band)= -0.087578 trlgG= -0.110129 logG= -0.007125 TDE= -0.042799 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.024149 logG= -0.029160 Density= 0.214764 ETOT(band)= -0.234075 trlgG= -0.294426 logG= -0.029160 TDE= -0.171184 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001430 tlogG= -0.007963 logG= -0.009393 Density= 0.070881 ETOT(band)= -0.077915 trlgG= -0.097415 logG= -0.009393 TDE= -0.056944 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009581 tlogG= -0.047759 logG= -0.057340 Density= 0.427241 ETOT(band)= -0.467722 trlgG= -0.585615 logG= -0.057340 TDE= -0.341394 logGD-logG0= -0.009627 tlogG= -0.047640 logG= -0.057267 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426741 ETOT(band)= -0.468169 trlgG= -0.586758 logG= -0.057267 TDE= -0.341692 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008938 tlogG= -0.048081 logG= -0.057019 Density= 0.425613 ETOT(band)= -0.468134 trlgG= -0.586237 logG= -0.057019 TDE= -0.341675 logGD-logG0= -0.004593 tlogG= -0.023883 logG= -0.028476 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213317 ETOT(band)= -0.233761 trlgG= -0.292386 logG= -0.028476 TDE= -0.170731 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001186 tlogG= -0.005169 logG= -0.006356 Density= 0.062549 ETOT(band)= -0.067517 trlgG= -0.084179 logG= -0.006356 TDE= -0.042348 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009918 tlogG= -0.046384 logG= -0.056303 Density= 0.429582 ETOT(band)= -0.465376 trlgG= -0.581323 logG= -0.056303 TDE= -0.341228 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.022899 logG= -0.027858 Density= 0.214823 ETOT(band)= -0.232309 trlgG= -0.289592 logG= -0.027858 TDE= -0.170380 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009956 tlogG= -0.044609 logG= -0.054565 Density= 0.324310 ETOT(band)= -0.346550 trlgG= -0.431825 logG= -0.054565 TDE= -0.340679 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005305 logG= -0.006510 Density= 0.081561 ETOT(band)= -0.085658 trlgG= -0.106182 logG= -0.006510 TDE= -0.042449 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004291 tlogG= -0.024123 logG= -0.028414 Density= 0.212216 ETOT(band)= -0.234266 trlgG= -0.293569 logG= -0.028414 TDE= -0.170925 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005076 tlogG= -0.021872 logG= -0.026948 Density= 0.216639 ETOT(band)= -0.230206 trlgG= -0.286402 logG= -0.026948 TDE= -0.170177 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004987 tlogG= -0.021343 logG= -0.026331 Density= 0.217030 ETOT(band)= -0.229100 trlgG= -0.284201 logG= -0.026331 TDE= -0.169846 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009806 tlogG= -0.044609 logG= -0.054416 Density= 0.431645 ETOT(band)= -0.461913 trlgG= -0.574558 logG= -0.054416 TDE= -0.340314 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001277 tlogG= -0.005937 logG= -0.007213 Density= 0.080838 ETOT(band)= -0.087615 trlgG= -0.110327 logG= -0.007213 TDE= -0.042853 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001237 tlogG= -0.005617 logG= -0.006854 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080645 ETOT(band)= -0.087363 trlgG= -0.109574 logG= -0.007003 TDE= -0.042734 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080845 ETOT(band)= -0.086935 trlgG= -0.108573 logG= -0.006854 TDE= -0.042658 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005981 logG= -0.007257 Density= 0.081065 ETOT(band)= -0.087519 trlgG= -0.110382 logG= -0.007257 TDE= -0.042883 logGD-logG0= -0.005222 tlogG= -0.023991 logG= -0.029213 logGD-logG0= -0.005315 tlogG= -0.024111 logG= -0.029426 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215734 ETOT(band)= -0.233926 trlgG= -0.295143 logG= -0.029426 TDE= -0.171557 Density= 0.215702 ETOT(band)= -0.233770 trlgG= -0.294728 logG= -0.029213 TDE= -0.171526 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004480 tlogG= -0.023579 logG= -0.028059 Density= 0.212661 ETOT(band)= -0.233889 trlgG= -0.292625 logG= -0.028059 TDE= -0.170642 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005244 tlogG= -0.023477 logG= -0.028721 logGD-logG0= -0.001581 tlogG= -0.006872 logG= -0.008453 Density= 0.040849 ETOT(band)= -0.042659 trlgG= -0.052784 logG= -0.008453 TDE= -0.056447 Density= 0.215236 ETOT(band)= -0.233238 trlgG= -0.292810 logG= -0.028721 TDE= -0.171116 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004424 tlogG= -0.023732 logG= -0.028157 Density= 0.213125 ETOT(band)= -0.233484 trlgG= -0.291653 logG= -0.028157 TDE= -0.170727 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005186 tlogG= -0.023989 logG= -0.029175 Density= 0.216366 ETOT(band)= -0.233256 trlgG= -0.294258 logG= -0.029175 TDE= -0.171543 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004765 tlogG= -0.023997 logG= -0.028763 logGD-logG0= -0.001570 tlogG= -0.007586 logG= -0.009156 Density= 0.071507 ETOT(band)= -0.077317 trlgG= -0.096122 logG= -0.009156 TDE= -0.056720 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321605 ETOT(band)= -0.350966 trlgG= -0.441185 logG= -0.028763 TDE= -0.171174 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023838 logG= -0.028906 Density= 0.215513 ETOT(band)= -0.233671 trlgG= -0.294176 logG= -0.028906 TDE= -0.171061 logGD-logG0= -0.005255 tlogG= -0.023789 logG= -0.029044 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215353 ETOT(band)= -0.233674 trlgG= -0.294073 logG= -0.029044 TDE= -0.171373 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004567 tlogG= -0.023966 logG= -0.028533 Density= 0.212847 ETOT(band)= -0.234168 trlgG= -0.293376 logG= -0.028533 TDE= -0.170780 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005071 tlogG= -0.023948 logG= -0.029019 logGD-logG0= -0.005205 tlogG= -0.023405 logG= -0.028610 Density= 0.216211 ETOT(band)= -0.232574 trlgG= -0.292114 logG= -0.028610 TDE= -0.171137 logGD-logG0= -0.010401 tlogG= -0.047766 logG= -0.058166 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324368 ETOT(band)= -0.349789 trlgG= -0.440885 logG= -0.058166 TDE= -0.342927 Density= 0.214366 ETOT(band)= -0.234001 trlgG= -0.293808 logG= -0.029019 TDE= -0.171011 logGD-logG0= -0.005037 tlogG= -0.024154 logG= -0.029191 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322473 ETOT(band)= -0.351085 trlgG= -0.441866 logG= -0.029191 TDE= -0.171180 logGD-logG0= -0.005198 tlogG= -0.023752 logG= -0.028950 logGD-logG0= -0.005176 tlogG= -0.022959 logG= -0.028135 Density= 0.216239 ETOT(band)= -0.232000 trlgG= -0.290499 logG= -0.028135 TDE= -0.170850 Density= 0.216290 ETOT(band)= -0.232954 trlgG= -0.293321 logG= -0.028950 TDE= -0.171376 logGD-logG0= -0.010446 tlogG= -0.047215 logG= -0.057661 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009670 tlogG= -0.046590 logG= -0.056259 Density= 0.324153 ETOT(band)= -0.349420 trlgG= -0.439535 logG= -0.057661 TDE= -0.342535 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322740 ETOT(band)= -0.348879 trlgG= -0.436258 logG= -0.056259 TDE= -0.341508 logGD-logG0= -0.005179 tlogG= -0.023946 logG= -0.029125 logGD-logG0= -0.004906 tlogG= -0.023878 logG= -0.028783 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213819 ETOT(band)= -0.233912 trlgG= -0.292897 logG= -0.028783 TDE= -0.170740 Density= 0.216400 ETOT(band)= -0.233152 trlgG= -0.294027 logG= -0.029125 TDE= -0.171517 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010678 tlogG= -0.048024 logG= -0.058702 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323273 ETOT(band)= -0.350853 trlgG= -0.442217 logG= -0.058702 TDE= -0.342917 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005363 tlogG= -0.023887 logG= -0.029250 Density= 0.215662 ETOT(band)= -0.233673 trlgG= -0.294456 logG= -0.029250 TDE= -0.171381 logGD-logG0= -0.005241 tlogG= -0.024077 logG= -0.029318 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323089 ETOT(band)= -0.351060 trlgG= -0.442518 logG= -0.029318 TDE= -0.171371 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004733 tlogG= -0.023998 logG= -0.028731 logGD-logG0= -0.004776 tlogG= -0.023236 logG= -0.028012 Density= 0.213534 ETOT(band)= -0.233515 trlgG= -0.292115 logG= -0.028012 TDE= -0.170692 logGD-logG0= -0.010162 tlogG= -0.045618 logG= -0.055780 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324069 ETOT(band)= -0.347819 trlgG= -0.434832 logG= -0.055780 TDE= -0.341356 logGD-logG0= -0.005022 tlogG= -0.023238 logG= -0.028260 Density= 0.214149 ETOT(band)= -0.233990 trlgG= -0.294025 logG= -0.028731 TDE= -0.171178 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321742 ETOT(band)= -0.350426 trlgG= -0.439460 logG= -0.028260 TDE= -0.170803 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023362 logG= -0.028008 Density= 0.214213 ETOT(band)= -0.233277 trlgG= -0.292232 logG= -0.028008 TDE= -0.170857 logGD-logG0= -0.010442 tlogG= -0.046396 logG= -0.056838 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324020 ETOT(band)= -0.348763 trlgG= -0.437449 logG= -0.056838 TDE= -0.341979 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004677 tlogG= -0.023359 logG= -0.028037 logGD-logG0= -0.005348 tlogG= -0.023946 logG= -0.029294 Density= 0.323684 ETOT(band)= -0.350529 trlgG= -0.441966 logG= -0.029294 TDE= -0.171429 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321677 ETOT(band)= -0.349918 trlgG= -0.438609 logG= -0.028037 TDE= -0.170849 logGD-logG0= -0.005411 tlogG= -0.023673 logG= -0.029084 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215426 ETOT(band)= -0.233524 trlgG= -0.293757 logG= -0.029084 TDE= -0.171204 logGD-logG0= -0.005160 tlogG= -0.023190 logG= -0.028349 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214892 ETOT(band)= -0.232864 trlgG= -0.291121 logG= -0.028349 TDE= -0.170566 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004828 tlogG= -0.023827 logG= -0.028655 logGD-logG0= -0.009430 tlogG= -0.046700 logG= -0.056130 Density= 0.427956 ETOT(band)= -0.465937 trlgG= -0.581635 logG= -0.056130 TDE= -0.341115 Density= 0.213606 ETOT(band)= -0.234049 trlgG= -0.293632 logG= -0.028655 TDE= -0.170996 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005426 tlogG= -0.023349 logG= -0.028776 Density= 0.215128 ETOT(band)= -0.233265 trlgG= -0.292616 logG= -0.028776 TDE= -0.170910 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010129 tlogG= -0.048132 logG= -0.058261 Density= 0.429348 ETOT(band)= -0.468083 trlgG= -0.588412 logG= -0.058261 TDE= -0.342209 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009626 tlogG= -0.047822 logG= -0.057448 logGD-logG0= -0.004905 tlogG= -0.021294 logG= -0.026198 Density= 0.162656 ETOT(band)= -0.172926 trlgG= -0.215855 logG= -0.026198 TDE= -0.169833 Density= 0.428095 ETOT(band)= -0.467963 trlgG= -0.587635 logG= -0.057448 TDE= -0.342162 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009490 tlogG= -0.046590 logG= -0.056080 logGD-logG0= -0.010262 tlogG= -0.048207 logG= -0.058468 Density= 0.428158 ETOT(band)= -0.466660 trlgG= -0.584242 logG= -0.056080 TDE= -0.341532 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430078 ETOT(band)= -0.468091 trlgG= -0.589181 logG= -0.058468 TDE= -0.342421 logGD-logG0= -0.010471 tlogG= -0.048057 logG= -0.058528 Density= 0.430184 ETOT(band)= -0.467922 trlgG= -0.588854 logG= -0.058528 TDE= -0.342546 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010237 tlogG= -0.047654 logG= -0.057891 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428346 ETOT(band)= -0.467949 trlgG= -0.586968 logG= -0.057891 TDE= -0.341803 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.022432 logG= -0.027545 Density= 0.216384 ETOT(band)= -0.231202 trlgG= -0.288515 logG= -0.027545 TDE= -0.170517 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004943 tlogG= -0.022284 logG= -0.027227 logGD-logG0= -0.001692 tlogG= -0.007114 logG= -0.008806 Density= 0.072234 ETOT(band)= -0.076453 trlgG= -0.094814 logG= -0.008806 TDE= -0.056607 Density= 0.214291 ETOT(band)= -0.232347 trlgG= -0.289341 logG= -0.027227 TDE= -0.170116 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009802 tlogG= -0.047837 logG= -0.057639 Density= 0.429185 ETOT(band)= -0.467745 trlgG= -0.587617 logG= -0.057639 TDE= -0.342150 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010298 tlogG= -0.047941 logG= -0.058238 Density= 0.429252 ETOT(band)= -0.468044 trlgG= -0.588054 logG= -0.058238 TDE= -0.342047 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010752 tlogG= -0.047671 logG= -0.058423 Density= 0.431126 ETOT(band)= -0.467294 trlgG= -0.588509 logG= -0.058423 TDE= -0.342671 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010639 tlogG= -0.047717 logG= -0.058356 Density= 0.430787 ETOT(band)= -0.467349 trlgG= -0.588146 logG= -0.058356 TDE= -0.342564 logGD-logG0= -0.004910 tlogG= -0.022466 logG= -0.027376 logGD-logG0= -0.010676 tlogG= -0.047996 logG= -0.058672 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431364 ETOT(band)= -0.467578 trlgG= -0.589502 logG= -0.058672 TDE= -0.342935 Density= 0.215048 ETOT(band)= -0.231574 trlgG= -0.287950 logG= -0.027376 TDE= -0.170129 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.046916 logG= -0.057217 Density= 0.429925 ETOT(band)= -0.466294 trlgG= -0.584019 logG= -0.057217 TDE= -0.341516 logGD-logG0= -0.009982 tlogG= -0.047542 logG= -0.057525 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428662 ETOT(band)= -0.467295 trlgG= -0.586012 logG= -0.057525 TDE= -0.341848 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.047255 logG= -0.057954 Density= 0.430520 ETOT(band)= -0.466924 trlgG= -0.586674 logG= -0.057954 TDE= -0.342180 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004830 tlogG= -0.022320 logG= -0.027150 Density= 0.322907 ETOT(band)= -0.347848 trlgG= -0.433869 logG= -0.027150 TDE= -0.170198 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010225 tlogG= -0.047556 logG= -0.057781 Density= 0.430053 ETOT(band)= -0.466941 trlgG= -0.585947 logG= -0.057781 TDE= -0.341960 logGD-logG0= -0.001224 tlogG= -0.005466 logG= -0.006690 Density= 0.081205 ETOT(band)= -0.086324 trlgG= -0.107338 logG= -0.006690 TDE= -0.042560 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004790 tlogG= -0.022319 logG= -0.027109 Density= 0.215053 ETOT(band)= -0.231863 trlgG= -0.288992 logG= -0.027109 TDE= -0.170203 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004946 tlogG= -0.021198 logG= -0.026144 Density= 0.216361 ETOT(band)= -0.229957 trlgG= -0.285453 logG= -0.026144 TDE= -0.169752 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.693984467388 eV TrLogG= -407.147801624638 eV Ratio to renormalize= 0.999923756851 rho-rho_expected= 0.001677477180 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 16) Finished k-point number 34 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964582973801911 0.940247255912147 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002418 tlogG= -0.012079 logG= -0.014497 Density= 0.053593 ETOT(band)= -0.058525 trlgG= -0.073604 logG= -0.014497 TDE= -0.085627 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.023599 logG= -0.028725 Density= 0.108213 ETOT(band)= -0.116391 trlgG= -0.146490 logG= -0.028725 TDE= -0.171315 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.023962 logG= -0.029188 Density= 0.107459 ETOT(band)= -0.117016 trlgG= -0.147196 logG= -0.029188 TDE= -0.171185 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023863 logG= -0.029137 Density= 0.107927 ETOT(band)= -0.116766 trlgG= -0.147152 logG= -0.029137 TDE= -0.171423 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009798 tlogG= -0.047149 logG= -0.056946 logGD-logG0= -0.009523 tlogG= -0.047924 logG= -0.057448 Density= 0.213314 ETOT(band)= -0.234166 trlgG= -0.293444 logG= -0.057448 TDE= -0.341555 Density= 0.213816 ETOT(band)= -0.233704 trlgG= -0.292524 logG= -0.056946 TDE= -0.341384 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009848 tlogG= -0.045640 logG= -0.055488 Density= 0.215180 ETOT(band)= -0.232307 trlgG= -0.289916 logG= -0.055488 TDE= -0.340909 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.022164 logG= -0.027116 logGD-logG0= -0.004538 tlogG= -0.024041 logG= -0.028579 Density= 0.106410 ETOT(band)= -0.117110 trlgG= -0.146749 logG= -0.028579 TDE= -0.170826 Density= 0.108369 ETOT(band)= -0.115396 trlgG= -0.143917 logG= -0.027116 TDE= -0.170428 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.023679 logG= -0.028961 Density= 0.107247 ETOT(band)= -0.116963 trlgG= -0.146800 logG= -0.028961 TDE= -0.170910 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.023209 logG= -0.028305 Density= 0.108204 ETOT(band)= -0.116167 trlgG= -0.145827 logG= -0.028305 TDE= -0.171067 logGD-logG0= -0.004896 tlogG= -0.023890 logG= -0.028786 Density= 0.106776 ETOT(band)= -0.117072 trlgG= -0.146861 logG= -0.028786 TDE= -0.170913 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.024063 logG= -0.028940 Density= 0.107074 ETOT(band)= -0.117054 trlgG= -0.147117 logG= -0.028940 TDE= -0.171162 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.021869 logG= -0.026856 Density= 0.108333 ETOT(band)= -0.115211 trlgG= -0.143469 logG= -0.026856 TDE= -0.170221 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002331 tlogG= -0.011445 logG= -0.013776 Density= 0.053745 ETOT(band)= -0.058051 trlgG= -0.072479 logG= -0.013776 TDE= -0.085299 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002462 tlogG= -0.010838 logG= -0.013300 Density= 0.054069 ETOT(band)= -0.057572 trlgG= -0.071522 logG= -0.013300 TDE= -0.084979 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004543 ETOT(band)= -0.004732 trlgG= -0.005851 logG= -0.001048 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002323 tlogG= -0.011881 logG= -0.014204 Density= 0.053570 ETOT(band)= -0.058381 trlgG= -0.073242 logG= -0.014204 TDE= -0.085548 logGD-logG0= -0.002600 tlogG= -0.012030 logG= -0.014630 Density= 0.053770 ETOT(band)= -0.058515 trlgG= -0.073662 logG= -0.014630 TDE= -0.085640 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001403 tlogG= -0.008043 logG= -0.009445 Density= 0.035322 ETOT(band)= -0.039061 trlgG= -0.048954 logG= -0.009445 TDE= -0.056988 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001484 tlogG= -0.007810 logG= -0.009294 Density= 0.035500 ETOT(band)= -0.038911 trlgG= -0.048591 logG= -0.009294 TDE= -0.056864 logGD-logG0= -0.002559 tlogG= -0.011981 logG= -0.014539 Density= 0.054142 ETOT(band)= -0.058278 trlgG= -0.073528 logG= -0.014539 TDE= -0.085781 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.022451 logG= -0.027485 Density= 0.108214 ETOT(band)= -0.115701 trlgG= -0.144524 logG= -0.027485 TDE= -0.170588 logGD-logG0= -0.005102 tlogG= -0.022976 logG= -0.028079 Density= 0.108146 ETOT(band)= -0.116074 trlgG= -0.145471 logG= -0.028079 TDE= -0.170908 logGD-logG0= -0.004315 tlogG= -0.024046 logG= -0.028361 logGD-logG0= -0.005137 tlogG= -0.023943 logG= -0.029080 Density= 0.108238 ETOT(band)= -0.116581 trlgG= -0.147060 logG= -0.029080 TDE= -0.171542 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004342 tlogG= -0.023969 logG= -0.028311 Density= 0.106193 ETOT(band)= -0.117076 trlgG= -0.146625 logG= -0.028311 TDE= -0.170863 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005150 tlogG= -0.023757 logG= -0.028907 Density= 0.108188 ETOT(band)= -0.116506 trlgG= -0.146781 logG= -0.028907 TDE= -0.171412 logGD-logG0= -0.005145 tlogG= -0.023424 logG= -0.028568 Density= 0.108141 ETOT(band)= -0.116344 trlgG= -0.146245 logG= -0.028568 TDE= -0.171191 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024067 logG= -0.029342 Density= 0.107656 ETOT(band)= -0.117031 trlgG= -0.147471 logG= -0.029342 TDE= -0.171403 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.022845 logG= -0.027705 Density= 0.107761 ETOT(band)= -0.116055 trlgG= -0.144886 logG= -0.027705 TDE= -0.170506 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106141 ETOT(band)= -0.117120 trlgG= -0.146738 logG= -0.028361 TDE= -0.170901 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.024087 logG= -0.029077 logGD-logG0= -0.004617 tlogG= -0.023201 logG= -0.027818 Density= 0.106757 ETOT(band)= -0.116580 trlgG= -0.145421 logG= -0.027818 TDE= -0.170432 Density= 0.107395 ETOT(band)= -0.116994 trlgG= -0.147093 logG= -0.029077 TDE= -0.171160 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.023683 logG= -0.028509 Density= 0.107394 ETOT(band)= -0.116684 trlgG= -0.146352 logG= -0.028509 TDE= -0.170986 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.023898 logG= -0.029205 Density= 0.107764 ETOT(band)= -0.116897 trlgG= -0.147256 logG= -0.029205 TDE= -0.171378 logGD-logG0= -0.005288 tlogG= -0.024080 logG= -0.029367 logGD-logG0= -0.002627 tlogG= -0.011984 logG= -0.014612 logGD-logG0= -0.005124 tlogG= -0.023865 logG= -0.028989 Density= 0.108259 ETOT(band)= -0.116517 trlgG= -0.146911 logG= -0.028989 TDE= -0.171494 Density= 0.107900 ETOT(band)= -0.116940 trlgG= -0.147536 logG= -0.029367 TDE= -0.171563 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005320 tlogG= -0.024126 logG= -0.029446 Density= 0.053988 ETOT(band)= -0.058399 trlgG= -0.073648 logG= -0.014612 TDE= -0.085752 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107823 ETOT(band)= -0.117027 trlgG= -0.147660 logG= -0.029446 TDE= -0.171571 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.023640 logG= -0.028631 Density= 0.106996 ETOT(band)= -0.116890 trlgG= -0.146249 logG= -0.028631 TDE= -0.170564 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.022403 logG= -0.027412 Density= 0.107649 ETOT(band)= -0.115926 trlgG= -0.144401 logG= -0.027412 TDE= -0.170259 logGD-logG0= -0.004704 tlogG= -0.022985 logG= -0.027689 Density= 0.106892 ETOT(band)= -0.116449 trlgG= -0.145159 logG= -0.027689 TDE= -0.170366 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004705 tlogG= -0.023681 logG= -0.028385 logGD-logG0= -0.004673 tlogG= -0.023665 logG= -0.028338 Density= 0.106994 ETOT(band)= -0.116801 trlgG= -0.146440 logG= -0.028385 TDE= -0.171001 Density= 0.106619 ETOT(band)= -0.116916 trlgG= -0.146333 logG= -0.028338 TDE= -0.170755 logGD-logG0= -0.004728 tlogG= -0.023496 logG= -0.028224 Density= 0.106793 ETOT(band)= -0.116771 trlgG= -0.145906 logG= -0.028224 TDE= -0.170528 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.023192 logG= -0.028490 Density= 0.107696 ETOT(band)= -0.116508 trlgG= -0.146106 logG= -0.028490 TDE= -0.170910 logGD-logG0= -0.005107 tlogG= -0.022871 logG= -0.027978 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107630 ETOT(band)= -0.116259 trlgG= -0.145296 logG= -0.027978 TDE= -0.170580 logGD-logG0= -0.004737 tlogG= -0.022846 logG= -0.027584 Density= 0.107314 ETOT(band)= -0.116198 trlgG= -0.145010 logG= -0.027584 TDE= -0.170530 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005311 tlogG= -0.023573 logG= -0.028884 Density= 0.107813 ETOT(band)= -0.116670 trlgG= -0.146736 logG= -0.028884 TDE= -0.171203 logGD-logG0= -0.009776 tlogG= -0.048233 logG= -0.058009 Density= 0.214435 ETOT(band)= -0.234069 trlgG= -0.294310 logG= -0.058009 TDE= -0.342415 logGD-logG0= -0.009465 tlogG= -0.045750 logG= -0.055215 Density= 0.215049 ETOT(band)= -0.232230 trlgG= -0.289923 logG= -0.055215 TDE= -0.341125 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009096 tlogG= -0.047623 logG= -0.056718 logGD-logG0= -0.009744 tlogG= -0.045579 logG= -0.055323 Density= 0.214399 ETOT(band)= -0.232578 trlgG= -0.290097 logG= -0.055323 TDE= -0.340869 Density= 0.212969 ETOT(band)= -0.233955 trlgG= -0.292800 logG= -0.056718 TDE= -0.341470 logGD-logG0= -0.009922 tlogG= -0.047889 logG= -0.057811 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214005 ETOT(band)= -0.234105 trlgG= -0.293996 logG= -0.057811 TDE= -0.342086 logGD-logG0= -0.005263 tlogG= -0.024051 logG= -0.029314 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107958 ETOT(band)= -0.116872 trlgG= -0.147448 logG= -0.029314 TDE= -0.171557 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.010424 logG= -0.012825 Density= 0.054382 ETOT(band)= -0.057056 trlgG= -0.070678 logG= -0.012825 TDE= -0.084763 logGD-logG0= -0.009642 tlogG= -0.047148 logG= -0.056790 Density= 0.213805 ETOT(band)= -0.233659 trlgG= -0.292732 logG= -0.056790 TDE= -0.341743 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009415 tlogG= -0.047436 logG= -0.056852 Density= 0.214346 ETOT(band)= -0.233492 trlgG= -0.292865 logG= -0.056852 TDE= -0.342082 logGD-logG0= -0.010498 tlogG= -0.047737 logG= -0.058235 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214789 ETOT(band)= -0.233995 trlgG= -0.294145 logG= -0.058235 TDE= -0.342198 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010362 tlogG= -0.047777 logG= -0.058139 Density= 0.214688 ETOT(band)= -0.233988 trlgG= -0.293975 logG= -0.058139 TDE= -0.342074 logGD-logG0= -0.005030 tlogG= -0.022728 logG= -0.027758 Density= 0.108259 ETOT(band)= -0.115838 trlgG= -0.144960 logG= -0.027758 TDE= -0.170775 logGD-logG0= -0.010301 tlogG= -0.047971 logG= -0.058272 logGD-logG0= -0.010534 tlogG= -0.048007 logG= -0.058540 Density= 0.215137 ETOT(band)= -0.234041 trlgG= -0.294684 logG= -0.058540 TDE= -0.342604 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001623 tlogG= -0.006990 logG= -0.008613 Density= 0.036199 ETOT(band)= -0.038116 trlgG= -0.047237 logG= -0.008613 TDE= -0.056537 logGD-logG0= -0.010159 tlogG= -0.047652 logG= -0.057811 Density= 0.213986 ETOT(band)= -0.234092 trlgG= -0.293749 logG= -0.057811 TDE= -0.341829 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215103 ETOT(band)= -0.233904 trlgG= -0.294241 logG= -0.058272 TDE= -0.342412 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.048072 logG= -0.058525 logGD-logG0= -0.010045 tlogG= -0.048019 logG= -0.058064 Density= 0.214565 ETOT(band)= -0.234016 trlgG= -0.294061 logG= -0.058064 TDE= -0.342174 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215100 ETOT(band)= -0.234049 trlgG= -0.294657 logG= -0.058525 TDE= -0.342574 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010597 tlogG= -0.047515 logG= -0.058112 Density= 0.215726 ETOT(band)= -0.233499 trlgG= -0.294034 logG= -0.058112 TDE= -0.342674 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010385 tlogG= -0.047303 logG= -0.057688 logGD-logG0= -0.010523 tlogG= -0.047927 logG= -0.058451 Density= 0.215921 ETOT(band)= -0.233616 trlgG= -0.294597 logG= -0.058451 TDE= -0.342995 logGD-logG0= -0.010646 tlogG= -0.048138 logG= -0.058784 Density= 0.214297 ETOT(band)= -0.233887 trlgG= -0.293226 logG= -0.057688 TDE= -0.341583 Density= 0.215451 ETOT(band)= -0.234067 trlgG= -0.295123 logG= -0.058784 TDE= -0.342955 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010160 tlogG= -0.046404 logG= -0.056564 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215245 ETOT(band)= -0.232870 trlgG= -0.291548 logG= -0.056564 TDE= -0.341497 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009770 tlogG= -0.047214 logG= -0.056985 Density= 0.214511 ETOT(band)= -0.233455 trlgG= -0.292640 logG= -0.056985 TDE= -0.341806 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010072 tlogG= -0.047144 logG= -0.057215 Density= 0.215181 ETOT(band)= -0.233271 trlgG= -0.292564 logG= -0.057215 TDE= -0.341831 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010598 tlogG= -0.046872 logG= -0.057470 Density= 0.215457 ETOT(band)= -0.233262 trlgG= -0.292992 logG= -0.057470 TDE= -0.342140 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004901 tlogG= -0.021559 logG= -0.026460 Density= 0.108522 ETOT(band)= -0.114846 trlgG= -0.142790 logG= -0.026460 TDE= -0.170033 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004820 tlogG= -0.020984 logG= -0.025804 Density= 0.108718 ETOT(band)= -0.114259 trlgG= -0.141635 logG= -0.025804 TDE= -0.169629 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005066 tlogG= -0.021813 logG= -0.026879 Density= 0.107802 ETOT(band)= -0.115498 trlgG= -0.143527 logG= -0.026879 TDE= -0.169995 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005007 tlogG= -0.021690 logG= -0.026696 Density= 0.107944 ETOT(band)= -0.115306 trlgG= -0.143219 logG= -0.026696 TDE= -0.169939 logGD-logG0= -0.010008 tlogG= -0.043380 logG= -0.053388 Density= 0.216300 ETOT(band)= -0.230404 trlgG= -0.286416 logG= -0.053388 TDE= -0.340064 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001689 tlogG= -0.007303 logG= -0.008992 Density= 0.035849 ETOT(band)= -0.038563 trlgG= -0.047896 logG= -0.008992 TDE= -0.056644 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001271 tlogG= -0.005854 logG= -0.007125 Density= 0.080659 ETOT(band)= -0.087585 trlgG= -0.110138 logG= -0.007125 TDE= -0.042802 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010556 tlogG= -0.047415 logG= -0.057970 Density= 0.215495 ETOT(band)= -0.233539 trlgG= -0.293792 logG= -0.057970 TDE= -0.342459 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023755 logG= -0.028950 Density= 0.216300 ETOT(band)= -0.232971 trlgG= -0.293343 logG= -0.028950 TDE= -0.171389 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.024151 logG= -0.029160 Density= 0.214773 ETOT(band)= -0.234094 trlgG= -0.294451 logG= -0.029160 TDE= -0.171198 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010577 tlogG= -0.047876 logG= -0.058453 Density= 0.215793 ETOT(band)= -0.233688 trlgG= -0.294598 logG= -0.058453 TDE= -0.342930 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005360 tlogG= -0.023891 logG= -0.029250 Density= 0.215672 ETOT(band)= -0.233690 trlgG= -0.294479 logG= -0.029250 TDE= -0.171395 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009624 tlogG= -0.047644 logG= -0.057268 Density= 0.426753 ETOT(band)= -0.468210 trlgG= -0.586812 logG= -0.057268 TDE= -0.341720 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009579 tlogG= -0.047763 logG= -0.057341 Density= 0.427254 ETOT(band)= -0.467763 trlgG= -0.585668 logG= -0.057341 TDE= -0.341422 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009914 tlogG= -0.046390 logG= -0.056304 Density= 0.429596 ETOT(band)= -0.465414 trlgG= -0.581371 logG= -0.056304 TDE= -0.341255 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009952 tlogG= -0.044613 logG= -0.054565 Density= 0.324323 ETOT(band)= -0.346577 trlgG= -0.431856 logG= -0.054565 TDE= -0.340704 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005068 tlogG= -0.023951 logG= -0.029020 logGD-logG0= -0.005111 tlogG= -0.022434 logG= -0.027545 Density= 0.216393 ETOT(band)= -0.231220 trlgG= -0.288536 logG= -0.027545 TDE= -0.170529 Density= 0.214374 ETOT(band)= -0.234020 trlgG= -0.293833 logG= -0.029020 TDE= -0.171025 logGD-logG0= -0.004566 tlogG= -0.023968 logG= -0.028534 Density= 0.212853 ETOT(band)= -0.234190 trlgG= -0.293403 logG= -0.028534 TDE= -0.170794 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001236 tlogG= -0.005618 logG= -0.006854 Density= 0.080848 ETOT(band)= -0.086942 trlgG= -0.108582 logG= -0.006854 TDE= -0.042661 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004825 tlogG= -0.023830 logG= -0.028655 Density= 0.213613 ETOT(band)= -0.234070 trlgG= -0.293659 logG= -0.028655 TDE= -0.171010 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.024001 logG= -0.028731 Density= 0.214157 ETOT(band)= -0.234010 trlgG= -0.294050 logG= -0.028731 TDE= -0.171192 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023408 logG= -0.028610 Density= 0.216221 ETOT(band)= -0.232591 trlgG= -0.292135 logG= -0.028610 TDE= -0.171150 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004289 tlogG= -0.024126 logG= -0.028415 Density= 0.212221 ETOT(band)= -0.234289 trlgG= -0.293598 logG= -0.028415 TDE= -0.170939 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004478 tlogG= -0.023582 logG= -0.028060 Density= 0.212666 ETOT(band)= -0.233911 trlgG= -0.292653 logG= -0.028060 TDE= -0.170657 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001580 tlogG= -0.006872 logG= -0.008452 Density= 0.040851 ETOT(band)= -0.042662 trlgG= -0.052787 logG= -0.008452 TDE= -0.056451 logGD-logG0= -0.001223 tlogG= -0.005467 logG= -0.006690 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081208 ETOT(band)= -0.086331 trlgG= -0.107346 logG= -0.006690 TDE= -0.042563 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001691 tlogG= -0.007115 logG= -0.008806 Density= 0.072237 ETOT(band)= -0.076458 trlgG= -0.094821 logG= -0.008806 TDE= -0.056611 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004940 tlogG= -0.022287 logG= -0.027227 Density= 0.214297 ETOT(band)= -0.232367 trlgG= -0.289366 logG= -0.027227 TDE= -0.170129 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005074 tlogG= -0.021874 logG= -0.026948 Density= 0.216647 ETOT(band)= -0.230223 trlgG= -0.286422 logG= -0.026948 TDE= -0.170190 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004985 tlogG= -0.021345 logG= -0.026330 Density= 0.217039 ETOT(band)= -0.229116 trlgG= -0.284220 logG= -0.026330 TDE= -0.169858 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004943 tlogG= -0.021201 logG= -0.026144 Density= 0.216369 ETOT(band)= -0.229974 trlgG= -0.285473 logG= -0.026144 TDE= -0.169765 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001429 tlogG= -0.007964 logG= -0.009393 Density= 0.070882 ETOT(band)= -0.077922 trlgG= -0.097424 logG= -0.009393 TDE= -0.056949 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005937 logG= -0.007213 Density= 0.080842 ETOT(band)= -0.087621 trlgG= -0.110336 logG= -0.007213 TDE= -0.042857 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004422 tlogG= -0.023735 logG= -0.028157 Density= 0.213131 ETOT(band)= -0.233506 trlgG= -0.291681 logG= -0.028157 TDE= -0.170741 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001257 tlogG= -0.005746 logG= -0.007003 Density= 0.080648 ETOT(band)= -0.087370 trlgG= -0.109583 logG= -0.007003 TDE= -0.042737 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001185 tlogG= -0.005170 logG= -0.006355 Density= 0.062551 ETOT(band)= -0.067523 trlgG= -0.084186 logG= -0.006355 TDE= -0.042351 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004591 tlogG= -0.023886 logG= -0.028477 Density= 0.213323 ETOT(band)= -0.233782 trlgG= -0.292412 logG= -0.028477 TDE= -0.170746 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.022901 logG= -0.027859 Density= 0.214830 ETOT(band)= -0.232328 trlgG= -0.289615 logG= -0.027859 TDE= -0.170394 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005982 logG= -0.007257 Density= 0.081069 ETOT(band)= -0.087525 trlgG= -0.110390 logG= -0.007257 TDE= -0.042887 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005219 tlogG= -0.023994 logG= -0.029213 Density= 0.215712 ETOT(band)= -0.233788 trlgG= -0.294751 logG= -0.029213 TDE= -0.171539 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005252 tlogG= -0.023792 logG= -0.029045 Density= 0.215362 ETOT(band)= -0.233692 trlgG= -0.294097 logG= -0.029045 TDE= -0.171387 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.023479 logG= -0.028721 Density= 0.215244 ETOT(band)= -0.233257 trlgG= -0.292833 logG= -0.028721 TDE= -0.171130 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005183 tlogG= -0.023993 logG= -0.029175 Density= 0.216376 ETOT(band)= -0.233273 trlgG= -0.294280 logG= -0.029175 TDE= -0.171557 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004763 tlogG= -0.024000 logG= -0.028763 Density= 0.321617 ETOT(band)= -0.350996 trlgG= -0.441222 logG= -0.028763 TDE= -0.171187 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.023362 logG= -0.028037 Density= 0.321688 ETOT(band)= -0.349948 trlgG= -0.438646 logG= -0.028037 TDE= -0.170863 logGD-logG0= -0.005312 tlogG= -0.024114 logG= -0.029426 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215744 ETOT(band)= -0.233944 trlgG= -0.295166 logG= -0.029426 TDE= -0.171571 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001204 tlogG= -0.005306 logG= -0.006510 Density= 0.081564 ETOT(band)= -0.085664 trlgG= -0.106188 logG= -0.006510 TDE= -0.042452 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005176 tlogG= -0.023950 logG= -0.029125 Density= 0.216410 ETOT(band)= -0.233169 trlgG= -0.294048 logG= -0.029125 TDE= -0.171530 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010394 tlogG= -0.047772 logG= -0.058167 logGD-logG0= -0.010674 tlogG= -0.048029 logG= -0.058703 Density= 0.324384 ETOT(band)= -0.349814 trlgG= -0.440917 logG= -0.058167 TDE= -0.342953 Density= 0.323288 ETOT(band)= -0.350881 trlgG= -0.442252 logG= -0.058703 TDE= -0.342945 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010159 tlogG= -0.045622 logG= -0.055780 Density= 0.324082 ETOT(band)= -0.347845 trlgG= -0.434864 logG= -0.055780 TDE= -0.341382 logGD-logG0= -0.005408 tlogG= -0.023677 logG= -0.029084 Density= 0.215435 ETOT(band)= -0.233542 trlgG= -0.293780 logG= -0.029084 TDE= -0.171217 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009665 tlogG= -0.046595 logG= -0.056260 logGD-logG0= -0.004905 tlogG= -0.023880 logG= -0.028784 logGD-logG0= -0.005066 tlogG= -0.023840 logG= -0.028906 Density= 0.215523 ETOT(band)= -0.233689 trlgG= -0.294200 logG= -0.028906 TDE= -0.171074 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213826 ETOT(band)= -0.233932 trlgG= -0.292923 logG= -0.028784 TDE= -0.170754 Density= 0.322751 ETOT(band)= -0.348907 trlgG= -0.436293 logG= -0.056260 TDE= -0.341535 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004902 tlogG= -0.021296 logG= -0.026198 Density= 0.162663 ETOT(band)= -0.172939 trlgG= -0.215870 logG= -0.026198 TDE= -0.169845 logGD-logG0= -0.008934 tlogG= -0.048087 logG= -0.057021 Density= 0.425624 ETOT(band)= -0.468178 trlgG= -0.586292 logG= -0.057021 TDE= -0.341703 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010440 tlogG= -0.047222 logG= -0.057662 logGD-logG0= -0.009426 tlogG= -0.046705 logG= -0.056131 Density= 0.324168 ETOT(band)= -0.349446 trlgG= -0.439568 logG= -0.057662 TDE= -0.342562 Density= 0.427969 ETOT(band)= -0.465978 trlgG= -0.581686 logG= -0.056131 TDE= -0.341143 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010436 tlogG= -0.046402 logG= -0.056838 Density= 0.324033 ETOT(band)= -0.348789 trlgG= -0.437482 logG= -0.056838 TDE= -0.342005 logGD-logG0= -0.005020 tlogG= -0.023240 logG= -0.028261 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321753 ETOT(band)= -0.350455 trlgG= -0.439497 logG= -0.028261 TDE= -0.170817 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004774 tlogG= -0.023239 logG= -0.028012 logGD-logG0= -0.005239 tlogG= -0.024080 logG= -0.029319 Density= 0.323103 ETOT(band)= -0.351088 trlgG= -0.442554 logG= -0.029319 TDE= -0.171384 Density= 0.213540 ETOT(band)= -0.233536 trlgG= -0.292142 logG= -0.028012 TDE= -0.170706 logGD-logG0= -0.004643 tlogG= -0.023365 logG= -0.028008 Density= 0.214220 ETOT(band)= -0.233297 trlgG= -0.292258 logG= -0.028008 TDE= -0.170870 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005425 tlogG= -0.023351 logG= -0.028776 Density= 0.215137 ETOT(band)= -0.233283 trlgG= -0.292639 logG= -0.028776 TDE= -0.170924 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.024157 logG= -0.029192 logGD-logG0= -0.005345 tlogG= -0.023950 logG= -0.029295 Density= 0.323699 ETOT(band)= -0.350556 trlgG= -0.442000 logG= -0.029295 TDE= -0.171443 Density= 0.322486 ETOT(band)= -0.351113 trlgG= -0.441902 logG= -0.029192 TDE= -0.171194 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009622 tlogG= -0.047828 logG= -0.057450 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428110 ETOT(band)= -0.468003 trlgG= -0.587686 logG= -0.057450 TDE= -0.342190 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.022469 logG= -0.027377 Density= 0.215054 ETOT(band)= -0.231593 trlgG= -0.287973 logG= -0.027377 TDE= -0.170143 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023192 logG= -0.028350 Density= 0.214900 ETOT(band)= -0.232883 trlgG= -0.291144 logG= -0.028350 TDE= -0.170580 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010293 tlogG= -0.047946 logG= -0.058240 Density= 0.429269 ETOT(band)= -0.468083 trlgG= -0.588104 logG= -0.058240 TDE= -0.342074 logGD-logG0= -0.010125 tlogG= -0.048138 logG= -0.058263 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429365 ETOT(band)= -0.468121 trlgG= -0.588461 logG= -0.058263 TDE= -0.342237 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005173 tlogG= -0.022962 logG= -0.028135 Density= 0.216248 ETOT(band)= -0.232017 trlgG= -0.290520 logG= -0.028135 TDE= -0.170863 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010258 tlogG= -0.048212 logG= -0.058470 Density= 0.430096 ETOT(band)= -0.468128 trlgG= -0.589229 logG= -0.058470 TDE= -0.342448 logGD-logG0= -0.010233 tlogG= -0.047659 logG= -0.057892 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428362 ETOT(band)= -0.467989 trlgG= -0.587019 logG= -0.057892 TDE= -0.341830 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010745 tlogG= -0.047678 logG= -0.058424 Density= 0.431145 ETOT(band)= -0.467330 trlgG= -0.588555 logG= -0.058424 TDE= -0.342698 logGD-logG0= -0.009485 tlogG= -0.046596 logG= -0.056081 Density= 0.428171 ETOT(band)= -0.466700 trlgG= -0.584293 logG= -0.056081 TDE= -0.341559 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009798 tlogG= -0.047843 logG= -0.057641 Density= 0.429201 ETOT(band)= -0.467784 trlgG= -0.587666 logG= -0.057641 TDE= -0.342177 logGD-logG0= -0.010468 tlogG= -0.048062 logG= -0.058529 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430202 ETOT(band)= -0.467959 trlgG= -0.588902 logG= -0.058529 TDE= -0.342574 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009978 tlogG= -0.047548 logG= -0.057526 Density= 0.428677 ETOT(band)= -0.467334 trlgG= -0.586061 logG= -0.057526 TDE= -0.341875 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010297 tlogG= -0.046921 logG= -0.057218 Density= 0.429941 ETOT(band)= -0.466332 trlgG= -0.584066 logG= -0.057218 TDE= -0.341543 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.047561 logG= -0.057782 Density= 0.430070 ETOT(band)= -0.466979 trlgG= -0.585995 logG= -0.057782 TDE= -0.341987 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004827 tlogG= -0.022322 logG= -0.027150 Density= 0.322918 ETOT(band)= -0.347876 trlgG= -0.433905 logG= -0.027150 TDE= -0.170211 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009801 tlogG= -0.044615 logG= -0.054416 logGD-logG0= -0.010695 tlogG= -0.047260 logG= -0.057955 Density= 0.431660 ETOT(band)= -0.461949 trlgG= -0.574601 logG= -0.054416 TDE= -0.340341 Density= 0.430538 ETOT(band)= -0.466960 trlgG= -0.586721 logG= -0.057955 TDE= -0.342207 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004787 tlogG= -0.022322 logG= -0.027109 Density= 0.215060 ETOT(band)= -0.231882 trlgG= -0.289016 logG= -0.027109 TDE= -0.170216 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001569 tlogG= -0.007587 logG= -0.009156 Density= 0.071509 ETOT(band)= -0.077323 trlgG= -0.096130 logG= -0.009156 TDE= -0.056725 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047721 logG= -0.058357 Density= 0.430806 ETOT(band)= -0.467385 trlgG= -0.588193 logG= -0.058357 TDE= -0.342591 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010670 tlogG= -0.048003 logG= -0.058673 Density= 0.431384 ETOT(band)= -0.467613 trlgG= -0.589548 logG= -0.058673 TDE= -0.342963 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.720315007733 eV TrLogG= -407.186697960010 eV Ratio to renormalize= 0.999885930858 rho-rho_expected= 0.002509807413 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 59) Finished k-point number 119 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 78) Finished k-point number 158 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964563185751294 0.940232798913459 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002339 tlogG= -0.011887 logG= -0.014226 Density= 0.053544 ETOT(band)= -0.058389 trlgG= -0.073279 logG= -0.014226 TDE= -0.085549 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002617 tlogG= -0.012036 logG= -0.014653 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007051 Density= 0.053743 ETOT(band)= -0.058523 trlgG= -0.073699 logG= -0.014653 TDE= -0.085641 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002434 tlogG= -0.012086 logG= -0.014520 Density= 0.053566 ETOT(band)= -0.058534 trlgG= -0.073641 logG= -0.014520 TDE= -0.085628 logGD-logG0= -0.002346 tlogG= -0.011452 logG= -0.013798 Density= 0.053719 ETOT(band)= -0.058059 trlgG= -0.072514 logG= -0.013798 TDE= -0.085300 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001495 tlogG= -0.007813 logG= -0.009308 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001414 tlogG= -0.008047 logG= -0.009460 Density= 0.035482 ETOT(band)= -0.038916 trlgG= -0.048615 logG= -0.009308 TDE= -0.056865 Density= 0.035304 ETOT(band)= -0.039067 trlgG= -0.048979 logG= -0.009460 TDE= -0.056989 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002573 tlogG= -0.011988 logG= -0.014561 Density= 0.054117 ETOT(band)= -0.058287 trlgG= -0.073564 logG= -0.014561 TDE= -0.085782 logGD-logG0= -0.005307 tlogG= -0.024079 logG= -0.029387 Density= 0.107603 ETOT(band)= -0.117048 trlgG= -0.147544 logG= -0.029387 TDE= -0.171405 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005174 tlogG= -0.023438 logG= -0.028612 logGD-logG0= -0.005132 tlogG= -0.022991 logG= -0.028122 Density= 0.108095 ETOT(band)= -0.116090 trlgG= -0.145542 logG= -0.028122 TDE= -0.170910 Density= 0.108090 ETOT(band)= -0.116360 trlgG= -0.146316 logG= -0.028612 TDE= -0.171193 logGD-logG0= -0.004348 tlogG= -0.024058 logG= -0.028406 Density= 0.106088 ETOT(band)= -0.117138 trlgG= -0.146812 logG= -0.028406 TDE= -0.170903 logGD-logG0= -0.005063 tlogG= -0.022466 logG= -0.027529 Density= 0.108164 ETOT(band)= -0.115716 trlgG= -0.144594 logG= -0.027529 TDE= -0.170590 logGD-logG0= -0.005179 tlogG= -0.023771 logG= -0.028951 Density= 0.108137 ETOT(band)= -0.116523 trlgG= -0.146853 logG= -0.028951 TDE= -0.171414 logGD-logG0= -0.004375 tlogG= -0.023981 logG= -0.028356 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106139 ETOT(band)= -0.117094 trlgG= -0.146699 logG= -0.028356 TDE= -0.170865 logGD-logG0= -0.005318 tlogG= -0.024094 logG= -0.029412 logGD-logG0= -0.002642 tlogG= -0.011991 logG= -0.014634 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053962 ETOT(band)= -0.058407 trlgG= -0.073684 logG= -0.014634 TDE= -0.085753 Density= 0.107847 ETOT(band)= -0.116957 trlgG= -0.147609 logG= -0.029412 TDE= -0.171565 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004649 tlogG= -0.023212 logG= -0.027862 Density= 0.106705 ETOT(band)= -0.116596 trlgG= -0.145493 logG= -0.027862 TDE= -0.170434 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023958 logG= -0.029124 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108187 ETOT(band)= -0.116598 trlgG= -0.147131 logG= -0.029124 TDE= -0.171544 logGD-logG0= -0.004572 tlogG= -0.024053 logG= -0.028625 Density= 0.106356 ETOT(band)= -0.117128 trlgG= -0.146823 logG= -0.028625 TDE= -0.170829 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.022858 logG= -0.027749 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005315 tlogG= -0.023691 logG= -0.029006 Density= 0.107711 ETOT(band)= -0.116071 trlgG= -0.144956 logG= -0.027749 TDE= -0.170508 logGD-logG0= -0.005022 tlogG= -0.024100 logG= -0.029122 Density= 0.107194 ETOT(band)= -0.116981 trlgG= -0.146873 logG= -0.029006 TDE= -0.170912 logGD-logG0= -0.005154 tlogG= -0.023879 logG= -0.029032 Density= 0.108208 ETOT(band)= -0.116533 trlgG= -0.146982 logG= -0.029032 TDE= -0.171496 logGD-logG0= -0.005125 tlogG= -0.023224 logG= -0.028348 Density= 0.108154 ETOT(band)= -0.116184 trlgG= -0.145898 logG= -0.028348 TDE= -0.171069 logGD-logG0= -0.005156 tlogG= -0.023613 logG= -0.028769 Density= 0.107341 ETOT(band)= -0.117012 trlgG= -0.147167 logG= -0.029122 TDE= -0.171162 logGD-logG0= -0.005025 tlogG= -0.023651 logG= -0.028676 Density= 0.108162 ETOT(band)= -0.116407 trlgG= -0.146561 logG= -0.028769 TDE= -0.171317 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106943 ETOT(band)= -0.116908 trlgG= -0.146322 logG= -0.028676 TDE= -0.170566 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.022997 logG= -0.027733 Density= 0.106840 ETOT(band)= -0.116465 trlgG= -0.145230 logG= -0.027733 TDE= -0.170368 logGD-logG0= -0.005059 tlogG= -0.022742 logG= -0.027801 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.023975 logG= -0.029232 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108209 ETOT(band)= -0.115854 trlgG= -0.145030 logG= -0.027801 TDE= -0.170777 Density= 0.107406 ETOT(band)= -0.117034 trlgG= -0.147270 logG= -0.029232 TDE= -0.171187 logGD-logG0= -0.005039 tlogG= -0.022416 logG= -0.027456 Density= 0.107599 ETOT(band)= -0.115941 trlgG= -0.144471 logG= -0.027456 TDE= -0.170261 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004980 tlogG= -0.022178 logG= -0.027159 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108320 ETOT(band)= -0.115411 trlgG= -0.143986 logG= -0.027159 TDE= -0.170430 logGD-logG0= -0.004706 tlogG= -0.023676 logG= -0.028383 logGD-logG0= -0.004858 tlogG= -0.023696 logG= -0.028554 Density= 0.107342 ETOT(band)= -0.116701 trlgG= -0.146424 logG= -0.028554 TDE= -0.170988 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.024140 logG= -0.029491 Density= 0.107770 ETOT(band)= -0.117045 trlgG= -0.147734 logG= -0.029491 TDE= -0.171573 logGD-logG0= -0.005340 tlogG= -0.023911 logG= -0.029250 Density= 0.107712 ETOT(band)= -0.116915 trlgG= -0.147329 logG= -0.029250 TDE= -0.171380 logGD-logG0= -0.004930 tlogG= -0.023901 logG= -0.028831 Density= 0.106722 ETOT(band)= -0.117090 trlgG= -0.146935 logG= -0.028831 TDE= -0.170915 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106566 ETOT(band)= -0.116934 trlgG= -0.146406 logG= -0.028383 TDE= -0.170758 logGD-logG0= -0.005138 tlogG= -0.022883 logG= -0.028022 Density= 0.107579 ETOT(band)= -0.116275 trlgG= -0.145367 logG= -0.028022 TDE= -0.170582 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.023694 logG= -0.028430 logGD-logG0= -0.005341 tlogG= -0.023587 logG= -0.028928 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107761 ETOT(band)= -0.116687 trlgG= -0.146808 logG= -0.028928 TDE= -0.171205 logGD-logG0= -0.004909 tlogG= -0.024076 logG= -0.028985 Density= 0.107020 ETOT(band)= -0.117072 trlgG= -0.147191 logG= -0.028985 TDE= -0.171164 Density= 0.106941 ETOT(band)= -0.116818 trlgG= -0.146513 logG= -0.028430 TDE= -0.171003 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005329 tlogG= -0.023205 logG= -0.028534 Density= 0.107645 ETOT(band)= -0.116524 trlgG= -0.146178 logG= -0.028534 TDE= -0.170912 logGD-logG0= -0.002416 tlogG= -0.010430 logG= -0.012846 Density= 0.054358 ETOT(band)= -0.057063 trlgG= -0.070711 logG= -0.012846 TDE= -0.084764 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.022859 logG= -0.027628 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009840 tlogG= -0.048259 logG= -0.058099 logGD-logG0= -0.005304 tlogG= -0.023877 logG= -0.029181 Density= 0.107263 ETOT(band)= -0.116214 trlgG= -0.145080 logG= -0.027628 TDE= -0.170532 logGD-logG0= -0.009162 tlogG= -0.047646 logG= -0.056809 Density= 0.212863 ETOT(band)= -0.233990 trlgG= -0.292947 logG= -0.056809 TDE= -0.341474 Density= 0.214328 ETOT(band)= -0.234105 trlgG= -0.294458 logG= -0.058099 TDE= -0.342419 Density= 0.107875 ETOT(band)= -0.116783 trlgG= -0.147224 logG= -0.029181 TDE= -0.171425 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009805 tlogG= -0.045606 logG= -0.055411 logGD-logG0= -0.009526 tlogG= -0.045776 logG= -0.055302 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214297 ETOT(band)= -0.232610 trlgG= -0.290240 logG= -0.055411 TDE= -0.340873 Density= 0.214948 ETOT(band)= -0.232262 trlgG= -0.290064 logG= -0.055302 TDE= -0.341129 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009706 tlogG= -0.047174 logG= -0.056880 logGD-logG0= -0.009591 tlogG= -0.047947 logG= -0.057538 Density= 0.213699 ETOT(band)= -0.233694 trlgG= -0.292878 logG= -0.056880 TDE= -0.341747 Density= 0.213206 ETOT(band)= -0.234202 trlgG= -0.293592 logG= -0.057538 TDE= -0.341559 logGD-logG0= -0.009986 tlogG= -0.047915 logG= -0.057901 Density= 0.213898 ETOT(band)= -0.234141 trlgG= -0.294144 logG= -0.057901 TDE= -0.342090 logGD-logG0= -0.005293 tlogG= -0.024066 logG= -0.029358 logGD-logG0= -0.010562 tlogG= -0.047763 logG= -0.058325 logGD-logG0= -0.010426 tlogG= -0.047803 logG= -0.058229 Density= 0.214582 ETOT(band)= -0.234024 trlgG= -0.294122 logG= -0.058229 TDE= -0.342078 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107906 ETOT(band)= -0.116890 trlgG= -0.147520 logG= -0.029358 TDE= -0.171559 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214682 ETOT(band)= -0.234030 trlgG= -0.294291 logG= -0.058325 TDE= -0.342202 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010110 tlogG= -0.048045 logG= -0.058154 Density= 0.214458 ETOT(band)= -0.234052 trlgG= -0.294208 logG= -0.058154 TDE= -0.342178 logGD-logG0= -0.009479 tlogG= -0.047463 logG= -0.056941 logGD-logG0= -0.010598 tlogG= -0.048032 logG= -0.058630 Density= 0.215031 ETOT(band)= -0.234076 trlgG= -0.294831 logG= -0.058630 TDE= -0.342609 logGD-logG0= -0.001633 tlogG= -0.006995 logG= -0.008627 Density= 0.036183 ETOT(band)= -0.038120 trlgG= -0.047259 logG= -0.008627 TDE= -0.056537 logGD-logG0= -0.010517 tlogG= -0.048098 logG= -0.058615 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214994 ETOT(band)= -0.234085 trlgG= -0.294804 logG= -0.058615 TDE= -0.342578 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001699 tlogG= -0.007307 logG= -0.009006 Density= 0.035832 ETOT(band)= -0.038568 trlgG= -0.047919 logG= -0.009006 TDE= -0.056644 Density= 0.214241 ETOT(band)= -0.233527 trlgG= -0.293010 logG= -0.056941 TDE= -0.342086 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009864 tlogG= -0.047172 logG= -0.057036 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213710 ETOT(band)= -0.233739 trlgG= -0.292670 logG= -0.057036 TDE= -0.341389 logGD-logG0= -0.002476 tlogG= -0.010845 logG= -0.013321 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054044 ETOT(band)= -0.057580 trlgG= -0.071557 logG= -0.013321 TDE= -0.084979 logGD-logG0= -0.010225 tlogG= -0.047677 logG= -0.057902 logGD-logG0= -0.010657 tlogG= -0.047544 logG= -0.058201 Density= 0.213879 ETOT(band)= -0.234128 trlgG= -0.293897 logG= -0.057902 TDE= -0.341833 Density= 0.215622 ETOT(band)= -0.233533 trlgG= -0.294178 logG= -0.058201 TDE= -0.342678 logGD-logG0= -0.010365 tlogG= -0.047997 logG= -0.058362 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009910 tlogG= -0.045666 logG= -0.055576 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214997 ETOT(band)= -0.233940 trlgG= -0.294387 logG= -0.058362 TDE= -0.342417 logGD-logG0= -0.010583 tlogG= -0.047956 logG= -0.058539 Density= 0.215816 ETOT(band)= -0.233650 trlgG= -0.294741 logG= -0.058539 TDE= -0.342999 Density= 0.215079 ETOT(band)= -0.232339 trlgG= -0.290057 logG= -0.055576 TDE= -0.340913 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010451 tlogG= -0.047327 logG= -0.057778 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214190 ETOT(band)= -0.233922 trlgG= -0.293373 logG= -0.057778 TDE= -0.341587 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010620 tlogG= -0.047440 logG= -0.058059 logGD-logG0= -0.010711 tlogG= -0.048163 logG= -0.058874 Density= 0.215390 ETOT(band)= -0.233573 trlgG= -0.293937 logG= -0.058059 TDE= -0.342463 Density= 0.215345 ETOT(band)= -0.234103 trlgG= -0.295269 logG= -0.058874 TDE= -0.342959 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009834 tlogG= -0.047240 logG= -0.057074 logGD-logG0= -0.010223 tlogG= -0.046430 logG= -0.056652 Density= 0.214406 ETOT(band)= -0.233489 trlgG= -0.292785 logG= -0.057074 TDE= -0.341810 logGD-logG0= -0.010662 tlogG= -0.046897 logG= -0.057559 logGD-logG0= -0.010637 tlogG= -0.047905 logG= -0.058542 Density= 0.215142 ETOT(band)= -0.232903 trlgG= -0.291691 logG= -0.056652 TDE= -0.341501 Density= 0.215688 ETOT(band)= -0.233723 trlgG= -0.294743 logG= -0.058542 TDE= -0.342934 Density= 0.215353 ETOT(band)= -0.233296 trlgG= -0.293136 logG= -0.057559 TDE= -0.342144 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010135 tlogG= -0.047169 logG= -0.057304 Density= 0.215076 ETOT(band)= -0.233305 trlgG= -0.292708 logG= -0.057304 TDE= -0.341835 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.021883 logG= -0.026899 Density= 0.108284 ETOT(band)= -0.115226 trlgG= -0.143538 logG= -0.026899 TDE= -0.170223 logGD-logG0= -0.004929 tlogG= -0.021573 logG= -0.026502 Density= 0.108474 ETOT(band)= -0.114860 trlgG= -0.142858 logG= -0.026502 TDE= -0.170034 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004848 tlogG= -0.020998 logG= -0.025846 Density= 0.108670 ETOT(band)= -0.114273 trlgG= -0.141702 logG= -0.025846 TDE= -0.169631 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.021826 logG= -0.026921 Density= 0.107753 ETOT(band)= -0.115513 trlgG= -0.143596 logG= -0.026921 TDE= -0.169997 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004761 tlogG= -0.023508 logG= -0.028269 Density= 0.106740 ETOT(band)= -0.116788 trlgG= -0.145979 logG= -0.028269 TDE= -0.170530 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.021702 logG= -0.026739 Density= 0.107896 ETOT(band)= -0.115321 trlgG= -0.143287 logG= -0.026739 TDE= -0.169941 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010067 tlogG= -0.043406 logG= -0.053473 Density= 0.216203 ETOT(band)= -0.230433 trlgG= -0.286553 logG= -0.053473 TDE= -0.340068 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001264 tlogG= -0.005750 logG= -0.007014 Density= 0.080609 ETOT(band)= -0.087383 trlgG= -0.109637 logG= -0.007014 TDE= -0.042738 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.005941 logG= -0.007224 Density= 0.080802 ETOT(band)= -0.087634 trlgG= -0.110390 logG= -0.007224 TDE= -0.042857 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005857 logG= -0.007136 Density= 0.080620 ETOT(band)= -0.087598 trlgG= -0.110193 logG= -0.007136 TDE= -0.042803 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001243 tlogG= -0.005621 logG= -0.006865 Density= 0.080810 ETOT(band)= -0.086954 trlgG= -0.108634 logG= -0.006865 TDE= -0.042661 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.024008 logG= -0.029257 Density= 0.215607 ETOT(band)= -0.233823 trlgG= -0.294896 logG= -0.029257 TDE= -0.171541 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005986 logG= -0.007268 Density= 0.081030 ETOT(band)= -0.087538 trlgG= -0.110444 logG= -0.007268 TDE= -0.042887 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.007968 logG= -0.009408 Density= 0.070847 ETOT(band)= -0.077933 trlgG= -0.097473 logG= -0.009408 TDE= -0.056950 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.023807 logG= -0.029089 Density= 0.215257 ETOT(band)= -0.233727 trlgG= -0.294242 logG= -0.029089 TDE= -0.171389 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023491 logG= -0.028765 Density= 0.215140 ETOT(band)= -0.233291 trlgG= -0.292977 logG= -0.028765 TDE= -0.171132 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.024129 logG= -0.029471 Density= 0.215639 ETOT(band)= -0.233979 trlgG= -0.295312 logG= -0.029471 TDE= -0.171573 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 Density= 0.321457 ETOT(band)= -0.351049 trlgG= -0.441443 logG= -0.028808 TDE= -0.171190 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005212 tlogG= -0.024007 logG= -0.029219 Density= 0.216273 ETOT(band)= -0.233306 trlgG= -0.294423 logG= -0.029219 TDE= -0.171559 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004322 tlogG= -0.024138 logG= -0.028460 Density= 0.212113 ETOT(band)= -0.234325 trlgG= -0.293747 logG= -0.028460 TDE= -0.170942 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004455 tlogG= -0.023747 logG= -0.028202 Density= 0.213026 ETOT(band)= -0.233539 trlgG= -0.291826 logG= -0.028202 TDE= -0.170744 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.023964 logG= -0.029065 logGD-logG0= -0.004511 tlogG= -0.023593 logG= -0.028104 Density= 0.212559 ETOT(band)= -0.233945 trlgG= -0.292800 logG= -0.028104 TDE= -0.170659 Density= 0.214267 ETOT(band)= -0.234056 trlgG= -0.293980 logG= -0.029065 TDE= -0.171027 logGD-logG0= -0.005098 tlogG= -0.023853 logG= -0.028951 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215418 ETOT(band)= -0.233723 trlgG= -0.294345 logG= -0.028951 TDE= -0.171076 logGD-logG0= -0.004599 tlogG= -0.023980 logG= -0.028579 Density= 0.212745 ETOT(band)= -0.234226 trlgG= -0.293552 logG= -0.028579 TDE= -0.170796 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.047801 logG= -0.058255 Density= 0.324229 ETOT(band)= -0.349864 trlgG= -0.441131 logG= -0.058255 TDE= -0.342957 logGD-logG0= -0.005231 tlogG= -0.023423 logG= -0.028654 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.023964 logG= -0.029169 Density= 0.216119 ETOT(band)= -0.232624 trlgG= -0.292277 logG= -0.028654 TDE= -0.171152 logGD-logG0= -0.005041 tlogG= -0.024164 logG= -0.029205 Density= 0.214666 ETOT(band)= -0.234130 trlgG= -0.294597 logG= -0.029205 TDE= -0.171200 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216307 ETOT(band)= -0.233202 trlgG= -0.294190 logG= -0.029169 TDE= -0.171532 logGD-logG0= -0.005067 tlogG= -0.024170 logG= -0.029237 logGD-logG0= -0.001192 tlogG= -0.005173 logG= -0.006366 Density= 0.062521 ETOT(band)= -0.067532 trlgG= -0.084227 logG= -0.006366 TDE= -0.042351 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322327 ETOT(band)= -0.351166 trlgG= -0.442122 logG= -0.029237 TDE= -0.171196 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.022976 logG= -0.028179 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216148 ETOT(band)= -0.232049 trlgG= -0.290661 logG= -0.028179 TDE= -0.170865 logGD-logG0= -0.010499 tlogG= -0.047250 logG= -0.057750 logGD-logG0= -0.005225 tlogG= -0.023769 logG= -0.028994 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216198 ETOT(band)= -0.233004 trlgG= -0.293485 logG= -0.028994 TDE= -0.171391 logGD-logG0= -0.010221 tlogG= -0.045647 logG= -0.055868 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324013 ETOT(band)= -0.349496 trlgG= -0.439782 logG= -0.057750 TDE= -0.342566 logGD-logG0= -0.004938 tlogG= -0.023891 logG= -0.028829 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213719 ETOT(band)= -0.233968 trlgG= -0.293070 logG= -0.028829 TDE= -0.170757 logGD-logG0= -0.001589 tlogG= -0.006877 logG= -0.008466 Density= 0.040833 ETOT(band)= -0.042667 trlgG= -0.052812 logG= -0.008466 TDE= -0.056451 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323931 ETOT(band)= -0.347893 trlgG= -0.435075 logG= -0.055868 TDE= -0.341385 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.024092 logG= -0.029364 Density= 0.322944 ETOT(band)= -0.351141 trlgG= -0.442774 logG= -0.029364 TDE= -0.171386 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023375 logG= -0.028081 Density= 0.321531 ETOT(band)= -0.349999 trlgG= -0.438864 logG= -0.028081 TDE= -0.170865 logGD-logG0= -0.010737 tlogG= -0.048056 logG= -0.058793 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323129 ETOT(band)= -0.350933 trlgG= -0.442471 logG= -0.058793 TDE= -0.342949 logGD-logG0= -0.010496 tlogG= -0.046430 logG= -0.056926 Density= 0.323880 ETOT(band)= -0.348838 trlgG= -0.437695 logG= -0.056926 TDE= -0.342009 logGD-logG0= -0.005052 tlogG= -0.023253 logG= -0.028305 Density= 0.321595 ETOT(band)= -0.350508 trlgG= -0.439716 logG= -0.028305 TDE= -0.170818 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004762 tlogG= -0.024014 logG= -0.028776 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214050 ETOT(band)= -0.234046 trlgG= -0.294198 logG= -0.028776 TDE= -0.171194 logGD-logG0= -0.004857 tlogG= -0.023844 logG= -0.028701 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213505 ETOT(band)= -0.234105 trlgG= -0.293806 logG= -0.028701 TDE= -0.171012 logGD-logG0= -0.005375 tlogG= -0.023964 logG= -0.029339 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323542 ETOT(band)= -0.350607 trlgG= -0.442217 logG= -0.029339 TDE= -0.171445 logGD-logG0= -0.004805 tlogG= -0.023252 logG= -0.028057 Density= 0.213435 ETOT(band)= -0.233570 trlgG= -0.292287 logG= -0.028057 TDE= -0.170708 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005438 tlogG= -0.023691 logG= -0.029129 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215331 ETOT(band)= -0.233576 trlgG= -0.293925 logG= -0.029129 TDE= -0.171219 logGD-logG0= -0.009728 tlogG= -0.046621 logG= -0.056349 Density= 0.322598 ETOT(band)= -0.348957 trlgG= -0.436507 logG= -0.056349 TDE= -0.341539 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.022913 logG= -0.027903 logGD-logG0= -0.005191 tlogG= -0.023203 logG= -0.028394 Density= 0.214797 ETOT(band)= -0.232916 trlgG= -0.291287 logG= -0.028394 TDE= -0.170582 Density= 0.214728 ETOT(band)= -0.232360 trlgG= -0.289757 logG= -0.027903 TDE= -0.170396 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009001 tlogG= -0.048111 logG= -0.057112 logGD-logG0= -0.009686 tlogG= -0.047854 logG= -0.057540 logGD-logG0= -0.010189 tlogG= -0.048164 logG= -0.058353 Density= 0.429152 ETOT(band)= -0.468193 trlgG= -0.588755 logG= -0.058353 TDE= -0.342241 Density= 0.425410 ETOT(band)= -0.468249 trlgG= -0.586588 logG= -0.057112 TDE= -0.341708 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001580 tlogG= -0.007591 logG= -0.009170 Density= 0.071475 ETOT(band)= -0.077333 trlgG= -0.096177 logG= -0.009170 TDE= -0.056725 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427896 ETOT(band)= -0.468075 trlgG= -0.587981 logG= -0.057540 TDE= -0.342194 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004674 tlogG= -0.023378 logG= -0.028052 logGD-logG0= -0.010358 tlogG= -0.047972 logG= -0.058330 Density= 0.214115 ETOT(band)= -0.233331 trlgG= -0.292403 logG= -0.028052 TDE= -0.170872 Density= 0.429055 ETOT(band)= -0.468154 trlgG= -0.588398 logG= -0.058330 TDE= -0.342078 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005457 tlogG= -0.023364 logG= -0.028821 logGD-logG0= -0.004930 tlogG= -0.021310 logG= -0.026240 Density= 0.215032 ETOT(band)= -0.233317 trlgG= -0.292784 logG= -0.028821 TDE= -0.170926 Density= 0.162589 ETOT(band)= -0.172961 trlgG= -0.215973 logG= -0.026240 TDE= -0.169847 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009492 tlogG= -0.046728 logG= -0.056220 Density= 0.427762 ETOT(band)= -0.466043 trlgG= -0.581973 logG= -0.056220 TDE= -0.341147 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010322 tlogG= -0.048238 logG= -0.058560 Density= 0.429884 ETOT(band)= -0.468200 trlgG= -0.589523 logG= -0.058560 TDE= -0.342452 logGD-logG0= -0.009861 tlogG= -0.047869 logG= -0.057730 Density= 0.428989 ETOT(band)= -0.467855 trlgG= -0.587959 logG= -0.057730 TDE= -0.342182 logGD-logG0= -0.009548 tlogG= -0.046622 logG= -0.056170 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427962 ETOT(band)= -0.466768 trlgG= -0.584583 logG= -0.056170 TDE= -0.341563 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.047684 logG= -0.057983 Density= 0.428148 ETOT(band)= -0.468060 trlgG= -0.587313 logG= -0.057983 TDE= -0.341835 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010806 tlogG= -0.047707 logG= -0.058513 Density= 0.430935 ETOT(band)= -0.467399 trlgG= -0.588845 logG= -0.058513 TDE= -0.342702 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.023905 logG= -0.029295 logGD-logG0= -0.010700 tlogG= -0.047746 logG= -0.058447 logGD-logG0= -0.005141 tlogG= -0.022448 logG= -0.027589 Density= 0.430596 ETOT(band)= -0.467455 trlgG= -0.588484 logG= -0.058447 TDE= -0.342595 Density= 0.216294 ETOT(band)= -0.231250 trlgG= -0.288675 logG= -0.027589 TDE= -0.170531 Density= 0.215567 ETOT(band)= -0.233725 trlgG= -0.294624 logG= -0.029295 TDE= -0.171397 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009692 tlogG= -0.047667 logG= -0.057359 Density= 0.426539 ETOT(band)= -0.468282 trlgG= -0.587108 logG= -0.057359 TDE= -0.341724 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009976 tlogG= -0.046416 logG= -0.056392 logGD-logG0= -0.010532 tlogG= -0.048087 logG= -0.058620 Density= 0.429391 ETOT(band)= -0.465480 trlgG= -0.581657 logG= -0.056392 TDE= -0.341260 logGD-logG0= -0.010042 tlogG= -0.047574 logG= -0.057616 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429990 ETOT(band)= -0.468030 trlgG= -0.589195 logG= -0.058620 TDE= -0.342578 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428466 ETOT(band)= -0.467404 trlgG= -0.586354 logG= -0.057616 TDE= -0.341880 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010730 tlogG= -0.048032 logG= -0.058763 Density= 0.431174 ETOT(band)= -0.467683 trlgG= -0.589839 logG= -0.058763 TDE= -0.342967 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.022335 logG= -0.027193 Density= 0.322767 ETOT(band)= -0.347924 trlgG= -0.434116 logG= -0.027193 TDE= -0.170213 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001211 tlogG= -0.005309 logG= -0.006520 Density= 0.081528 ETOT(band)= -0.085675 trlgG= -0.106239 logG= -0.006520 TDE= -0.042453 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009646 tlogG= -0.047786 logG= -0.057432 logGD-logG0= -0.010360 tlogG= -0.046947 logG= -0.057307 Density= 0.427041 ETOT(band)= -0.467833 trlgG= -0.585962 logG= -0.057432 TDE= -0.341427 logGD-logG0= -0.010759 tlogG= -0.047285 logG= -0.058044 Density= 0.430328 ETOT(band)= -0.467029 trlgG= -0.587011 logG= -0.058044 TDE= -0.342211 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429733 ETOT(band)= -0.466399 trlgG= -0.584354 logG= -0.057307 TDE= -0.341547 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010285 tlogG= -0.047586 logG= -0.057871 Density= 0.429860 ETOT(band)= -0.467048 trlgG= -0.586285 logG= -0.057871 TDE= -0.341992 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005470 logG= -0.006701 Density= 0.081172 ETOT(band)= -0.086342 trlgG= -0.107397 logG= -0.006701 TDE= -0.042564 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010013 tlogG= -0.044639 logG= -0.054651 Density= 0.324175 ETOT(band)= -0.346622 trlgG= -0.432064 logG= -0.054651 TDE= -0.340708 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001701 tlogG= -0.007120 logG= -0.008820 Density= 0.072205 ETOT(band)= -0.076468 trlgG= -0.094866 logG= -0.008820 TDE= -0.056612 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.022300 logG= -0.027270 Density= 0.214196 ETOT(band)= -0.232398 trlgG= -0.289507 logG= -0.027270 TDE= -0.170131 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.022481 logG= -0.027420 Density= 0.214955 ETOT(band)= -0.231624 trlgG= -0.288112 logG= -0.027420 TDE= -0.170145 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022335 logG= -0.027152 Density= 0.214959 ETOT(band)= -0.231913 trlgG= -0.289157 logG= -0.027152 TDE= -0.170218 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005103 tlogG= -0.021888 logG= -0.026991 Density= 0.216550 ETOT(band)= -0.230252 trlgG= -0.286559 logG= -0.026991 TDE= -0.170192 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.021359 logG= -0.026372 Density= 0.216943 ETOT(band)= -0.229145 trlgG= -0.284355 logG= -0.026372 TDE= -0.169860 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004625 tlogG= -0.023898 logG= -0.028523 Density= 0.213217 ETOT(band)= -0.233817 trlgG= -0.292559 logG= -0.028523 TDE= -0.170748 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.021215 logG= -0.026186 Density= 0.216272 ETOT(band)= -0.230003 trlgG= -0.285610 logG= -0.026186 TDE= -0.169766 logGD-logG0= -0.009862 tlogG= -0.044641 logG= -0.054502 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431463 ETOT(band)= -0.462009 trlgG= -0.574878 logG= -0.054502 TDE= -0.340345 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.767518701198 eV TrLogG= -407.316017386771 eV Ratio to renormalize= 1.000370433026 rho-rho_expected=-0.008146508844 nargs= 1 argi=dmft2.def 19) Finished k-point number 39 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 60) Finished k-point number 122 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964558837818452 0.940205992957036 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004572 tlogG= -0.024052 logG= -0.028624 Density= 0.106355 ETOT(band)= -0.117122 trlgG= -0.146815 logG= -0.028624 TDE= -0.170821 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.022177 logG= -0.027159 logGD-logG0= -0.005316 tlogG= -0.023690 logG= -0.029006 Density= 0.107192 ETOT(band)= -0.116975 trlgG= -0.146867 logG= -0.029006 TDE= -0.170904 Density= 0.108317 ETOT(band)= -0.115406 trlgG= -0.143981 logG= -0.027159 TDE= -0.170423 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023222 logG= -0.028349 Density= 0.108151 ETOT(band)= -0.116179 trlgG= -0.145892 logG= -0.028349 TDE= -0.171062 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.022882 logG= -0.028022 Density= 0.107577 ETOT(band)= -0.116270 trlgG= -0.145361 logG= -0.028022 TDE= -0.170574 logGD-logG0= -0.004738 tlogG= -0.023692 logG= -0.028430 Density= 0.106939 ETOT(band)= -0.116813 trlgG= -0.146506 logG= -0.028430 TDE= -0.170995 logGD-logG0= -0.004931 tlogG= -0.023900 logG= -0.028831 Density= 0.106720 ETOT(band)= -0.117084 trlgG= -0.146928 logG= -0.028831 TDE= -0.170907 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005330 tlogG= -0.023204 logG= -0.028534 Density= 0.107642 ETOT(band)= -0.116519 trlgG= -0.146172 logG= -0.028534 TDE= -0.170904 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005853 logG= -0.001050 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001495 tlogG= -0.007813 logG= -0.009308 Density= 0.035482 ETOT(band)= -0.038914 trlgG= -0.048613 logG= -0.009308 TDE= -0.056863 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004349 tlogG= -0.024057 logG= -0.028406 Density= 0.106086 ETOT(band)= -0.117131 trlgG= -0.146804 logG= -0.028406 TDE= -0.170895 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002340 tlogG= -0.011886 logG= -0.014226 Density= 0.053543 ETOT(band)= -0.058387 trlgG= -0.073275 logG= -0.014226 TDE= -0.085545 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002617 tlogG= -0.012035 logG= -0.014653 Density= 0.053742 ETOT(band)= -0.058521 trlgG= -0.073696 logG= -0.014653 TDE= -0.085637 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.022415 logG= -0.027456 Density= 0.107597 ETOT(band)= -0.115936 trlgG= -0.144465 logG= -0.027456 TDE= -0.170253 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002435 tlogG= -0.012085 logG= -0.014520 Density= 0.053565 ETOT(band)= -0.058531 trlgG= -0.073638 logG= -0.014520 TDE= -0.085624 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001414 tlogG= -0.008046 logG= -0.009460 Density= 0.035303 ETOT(band)= -0.039065 trlgG= -0.048976 logG= -0.009460 TDE= -0.056986 logGD-logG0= -0.002347 tlogG= -0.011451 logG= -0.013798 Density= 0.053718 ETOT(band)= -0.058056 trlgG= -0.072511 logG= -0.013798 TDE= -0.085296 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002574 tlogG= -0.011987 logG= -0.014561 Density= 0.054115 ETOT(band)= -0.058284 trlgG= -0.073561 logG= -0.014561 TDE= -0.085778 logGD-logG0= -0.005176 tlogG= -0.023437 logG= -0.028612 Density= 0.108087 ETOT(band)= -0.116356 trlgG= -0.146311 logG= -0.028612 TDE= -0.171185 logGD-logG0= -0.005065 tlogG= -0.022464 logG= -0.027529 Density= 0.108162 ETOT(band)= -0.115712 trlgG= -0.144589 logG= -0.027529 TDE= -0.170583 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002643 tlogG= -0.011991 logG= -0.014634 Density= 0.053961 ETOT(band)= -0.058405 trlgG= -0.073681 logG= -0.014634 TDE= -0.085750 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004376 tlogG= -0.023980 logG= -0.028356 Density= 0.106138 ETOT(band)= -0.117088 trlgG= -0.146691 logG= -0.028356 TDE= -0.170857 logGD-logG0= -0.005181 tlogG= -0.023770 logG= -0.028951 Density= 0.108133 ETOT(band)= -0.116518 trlgG= -0.146847 logG= -0.028951 TDE= -0.171406 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.022989 logG= -0.028123 logGD-logG0= -0.005320 tlogG= -0.024092 logG= -0.029412 logGD-logG0= -0.005168 tlogG= -0.023956 logG= -0.029124 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108184 ETOT(band)= -0.116593 trlgG= -0.147126 logG= -0.029124 TDE= -0.171536 Density= 0.107844 ETOT(band)= -0.116952 trlgG= -0.147602 logG= -0.029412 TDE= -0.171557 Density= 0.108093 ETOT(band)= -0.116085 trlgG= -0.145536 logG= -0.028123 TDE= -0.170903 logGD-logG0= -0.005308 tlogG= -0.024078 logG= -0.029386 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107600 ETOT(band)= -0.117043 trlgG= -0.147537 logG= -0.029386 TDE= -0.171397 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004651 tlogG= -0.023211 logG= -0.027862 Density= 0.106703 ETOT(band)= -0.116590 trlgG= -0.145486 logG= -0.027862 TDE= -0.170426 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.022856 logG= -0.027749 Density= 0.107708 ETOT(band)= -0.116066 trlgG= -0.144950 logG= -0.027749 TDE= -0.170501 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005155 tlogG= -0.023877 logG= -0.029033 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001700 tlogG= -0.007306 logG= -0.009006 Density= 0.035832 ETOT(band)= -0.038566 trlgG= -0.047917 logG= -0.009006 TDE= -0.056642 logGD-logG0= -0.005352 tlogG= -0.024138 logG= -0.029491 Density= 0.108204 ETOT(band)= -0.116529 trlgG= -0.146977 logG= -0.029033 TDE= -0.171489 Density= 0.107767 ETOT(band)= -0.117040 trlgG= -0.147727 logG= -0.029491 TDE= -0.171565 logGD-logG0= -0.005023 tlogG= -0.024099 logG= -0.029122 Density= 0.107339 ETOT(band)= -0.117007 trlgG= -0.147160 logG= -0.029122 TDE= -0.171155 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005025 tlogG= -0.023651 logG= -0.028676 logGD-logG0= -0.005341 tlogG= -0.023910 logG= -0.029250 Density= 0.107709 ETOT(band)= -0.116910 trlgG= -0.147323 logG= -0.029250 TDE= -0.171372 Density= 0.106941 ETOT(band)= -0.116902 trlgG= -0.146315 logG= -0.028676 TDE= -0.170559 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.022741 logG= -0.027801 logGD-logG0= -0.002416 tlogG= -0.010430 logG= -0.012846 Density= 0.054357 ETOT(band)= -0.057061 trlgG= -0.070709 logG= -0.012846 TDE= -0.084761 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023611 logG= -0.028769 Density= 0.108206 ETOT(band)= -0.115849 trlgG= -0.145025 logG= -0.027801 TDE= -0.170769 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108159 ETOT(band)= -0.116403 trlgG= -0.146556 logG= -0.028769 TDE= -0.171309 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004707 tlogG= -0.023675 logG= -0.028382 Density= 0.106564 ETOT(band)= -0.116928 trlgG= -0.146399 logG= -0.028382 TDE= -0.170750 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.023973 logG= -0.029232 Density= 0.107403 ETOT(band)= -0.117029 trlgG= -0.147263 logG= -0.029232 TDE= -0.171179 logGD-logG0= -0.004859 tlogG= -0.023695 logG= -0.028554 Density= 0.107339 ETOT(band)= -0.116696 trlgG= -0.146418 logG= -0.028554 TDE= -0.170981 logGD-logG0= -0.004737 tlogG= -0.022995 logG= -0.027733 Density= 0.106839 ETOT(band)= -0.116459 trlgG= -0.145223 logG= -0.027733 TDE= -0.170360 logGD-logG0= -0.004762 tlogG= -0.023506 logG= -0.028269 Density= 0.106739 ETOT(band)= -0.116782 trlgG= -0.145972 logG= -0.028269 TDE= -0.170522 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004910 tlogG= -0.024075 logG= -0.028985 Density= 0.107018 ETOT(band)= -0.117067 trlgG= -0.147184 logG= -0.028985 TDE= -0.171157 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023876 logG= -0.029181 Density= 0.107872 ETOT(band)= -0.116779 trlgG= -0.147218 logG= -0.029181 TDE= -0.171417 logGD-logG0= -0.004770 tlogG= -0.022858 logG= -0.027628 Density= 0.107261 ETOT(band)= -0.116208 trlgG= -0.145074 logG= -0.027628 TDE= -0.170524 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009529 tlogG= -0.045773 logG= -0.055302 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214944 ETOT(band)= -0.232252 trlgG= -0.290052 logG= -0.055302 TDE= -0.341114 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009843 tlogG= -0.048256 logG= -0.058099 Density= 0.214324 ETOT(band)= -0.234094 trlgG= -0.294444 logG= -0.058099 TDE= -0.342403 logGD-logG0= -0.005294 tlogG= -0.024064 logG= -0.029358 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107903 ETOT(band)= -0.116885 trlgG= -0.147514 logG= -0.029358 TDE= -0.171552 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009808 tlogG= -0.045603 logG= -0.055411 Density= 0.214293 ETOT(band)= -0.232599 trlgG= -0.290226 logG= -0.055411 TDE= -0.340858 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009164 tlogG= -0.047644 logG= -0.056808 Density= 0.212859 ETOT(band)= -0.233978 trlgG= -0.292932 logG= -0.056808 TDE= -0.341458 logGD-logG0= -0.009866 tlogG= -0.047170 logG= -0.057036 Density= 0.213706 ETOT(band)= -0.233728 trlgG= -0.292656 logG= -0.057036 TDE= -0.341373 logGD-logG0= -0.005343 tlogG= -0.023585 logG= -0.028928 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107758 ETOT(band)= -0.116682 trlgG= -0.146802 logG= -0.028928 TDE= -0.171198 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009709 tlogG= -0.047171 logG= -0.056880 Density= 0.213696 ETOT(band)= -0.233683 trlgG= -0.292864 logG= -0.056880 TDE= -0.341731 logGD-logG0= -0.010520 tlogG= -0.048095 logG= -0.058615 Density= 0.214989 ETOT(band)= -0.234075 trlgG= -0.294791 logG= -0.058615 TDE= -0.342563 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010367 tlogG= -0.047994 logG= -0.058362 Density= 0.214992 ETOT(band)= -0.233930 trlgG= -0.294374 logG= -0.058362 TDE= -0.342401 logGD-logG0= -0.009989 tlogG= -0.047912 logG= -0.057901 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213894 ETOT(band)= -0.234130 trlgG= -0.294130 logG= -0.057901 TDE= -0.342075 logGD-logG0= -0.010564 tlogG= -0.047761 logG= -0.058325 Density= 0.214677 ETOT(band)= -0.234020 trlgG= -0.294278 logG= -0.058325 TDE= -0.342186 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009481 tlogG= -0.047460 logG= -0.056941 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214237 ETOT(band)= -0.233516 trlgG= -0.292997 logG= -0.056941 TDE= -0.342071 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010600 tlogG= -0.048030 logG= -0.058630 logGD-logG0= -0.010112 tlogG= -0.048042 logG= -0.058154 Density= 0.214453 ETOT(band)= -0.234041 trlgG= -0.294195 logG= -0.058154 TDE= -0.342163 logGD-logG0= -0.010429 tlogG= -0.047801 logG= -0.058229 Density= 0.215025 ETOT(band)= -0.234066 trlgG= -0.294818 logG= -0.058630 TDE= -0.342593 logGD-logG0= -0.004850 tlogG= -0.020997 logG= -0.025847 Density= 0.108667 ETOT(band)= -0.114268 trlgG= -0.141697 logG= -0.025847 TDE= -0.169624 logGD-logG0= -0.010661 tlogG= -0.047540 logG= -0.058201 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.047325 logG= -0.057778 Density= 0.214186 ETOT(band)= -0.233911 trlgG= -0.293359 logG= -0.057778 TDE= -0.341572 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215616 ETOT(band)= -0.233524 trlgG= -0.294166 logG= -0.058201 TDE= -0.342663 Density= 0.214577 ETOT(band)= -0.234013 trlgG= -0.294109 logG= -0.058229 TDE= -0.342063 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010587 tlogG= -0.047953 logG= -0.058539 logGD-logG0= -0.009913 tlogG= -0.045663 logG= -0.055576 Density= 0.215810 ETOT(band)= -0.233641 trlgG= -0.294729 logG= -0.058539 TDE= -0.342983 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215074 ETOT(band)= -0.232329 trlgG= -0.290045 logG= -0.055576 TDE= -0.340898 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047674 logG= -0.057901 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213874 ETOT(band)= -0.234117 trlgG= -0.293883 logG= -0.057901 TDE= -0.341817 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010225 tlogG= -0.046427 logG= -0.056653 Density= 0.215137 ETOT(band)= -0.232893 trlgG= -0.291678 logG= -0.056653 TDE= -0.341487 logGD-logG0= -0.010622 tlogG= -0.047438 logG= -0.058060 logGD-logG0= -0.010713 tlogG= -0.048161 logG= -0.058874 Density= 0.215385 ETOT(band)= -0.233563 trlgG= -0.293924 logG= -0.058060 TDE= -0.342448 Density= 0.215339 ETOT(band)= -0.234093 trlgG= -0.295257 logG= -0.058874 TDE= -0.342943 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010641 tlogG= -0.047901 logG= -0.058542 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215682 ETOT(band)= -0.233713 trlgG= -0.294731 logG= -0.058542 TDE= -0.342919 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002477 tlogG= -0.010844 logG= -0.013321 Density= 0.054043 ETOT(band)= -0.057577 trlgG= -0.071554 logG= -0.013321 TDE= -0.084976 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010664 tlogG= -0.046895 logG= -0.057559 Density= 0.215348 ETOT(band)= -0.233286 trlgG= -0.293123 logG= -0.057559 TDE= -0.342129 logGD-logG0= -0.009592 tlogG= -0.047945 logG= -0.057538 Density= 0.213202 ETOT(band)= -0.234190 trlgG= -0.293578 logG= -0.057538 TDE= -0.341543 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047237 logG= -0.057074 Density= 0.214401 ETOT(band)= -0.233478 trlgG= -0.292772 logG= -0.057074 TDE= -0.341795 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010137 tlogG= -0.047167 logG= -0.057304 Density= 0.215071 ETOT(band)= -0.233295 trlgG= -0.292696 logG= -0.057304 TDE= -0.341819 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021701 logG= -0.026739 Density= 0.107893 ETOT(band)= -0.115316 trlgG= -0.143282 logG= -0.026739 TDE= -0.169934 logGD-logG0= -0.005017 tlogG= -0.021882 logG= -0.026899 Density= 0.108282 ETOT(band)= -0.115222 trlgG= -0.143532 logG= -0.026899 TDE= -0.170216 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004931 tlogG= -0.021572 logG= -0.026503 Density= 0.108472 ETOT(band)= -0.114856 trlgG= -0.142853 logG= -0.026503 TDE= -0.170028 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005097 tlogG= -0.021824 logG= -0.026922 Density= 0.107751 ETOT(band)= -0.115508 trlgG= -0.143591 logG= -0.026922 TDE= -0.169990 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001633 tlogG= -0.006994 logG= -0.008627 Density= 0.036182 ETOT(band)= -0.038119 trlgG= -0.047258 logG= -0.008627 TDE= -0.056535 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010070 tlogG= -0.043404 logG= -0.053474 Density= 0.216198 ETOT(band)= -0.230423 trlgG= -0.286542 logG= -0.053474 TDE= -0.340054 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005102 tlogG= -0.023963 logG= -0.029065 Density= 0.214263 ETOT(band)= -0.234045 trlgG= -0.293967 logG= -0.029065 TDE= -0.171019 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004600 tlogG= -0.023979 logG= -0.028579 logGD-logG0= -0.005233 tlogG= -0.023421 logG= -0.028654 Density= 0.216113 ETOT(band)= -0.232614 trlgG= -0.292266 logG= -0.028654 TDE= -0.171145 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212742 ETOT(band)= -0.234214 trlgG= -0.293537 logG= -0.028579 TDE= -0.170788 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005142 tlogG= -0.022447 logG= -0.027589 Density= 0.216289 ETOT(band)= -0.231241 trlgG= -0.288665 logG= -0.027589 TDE= -0.170524 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023377 logG= -0.028052 Density= 0.214111 ETOT(band)= -0.233320 trlgG= -0.292389 logG= -0.028052 TDE= -0.170865 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005192 tlogG= -0.023202 logG= -0.028394 logGD-logG0= -0.005458 tlogG= -0.023363 logG= -0.028821 Density= 0.215027 ETOT(band)= -0.233307 trlgG= -0.292771 logG= -0.028821 TDE= -0.170918 Density= 0.214792 ETOT(band)= -0.232905 trlgG= -0.291275 logG= -0.028394 TDE= -0.170574 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.023842 logG= -0.028700 Density= 0.213501 ETOT(band)= -0.234094 trlgG= -0.293792 logG= -0.028700 TDE= -0.171004 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001264 tlogG= -0.005749 logG= -0.007014 Density= 0.080607 ETOT(band)= -0.087379 trlgG= -0.109632 logG= -0.007014 TDE= -0.042736 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001244 tlogG= -0.005621 logG= -0.006865 Density= 0.080809 ETOT(band)= -0.086950 trlgG= -0.108630 logG= -0.006865 TDE= -0.042660 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.023890 logG= -0.028829 logGD-logG0= -0.005205 tlogG= -0.022974 logG= -0.028179 Density= 0.216142 ETOT(band)= -0.232040 trlgG= -0.290650 logG= -0.028179 TDE= -0.170858 Density= 0.213715 ETOT(band)= -0.233957 trlgG= -0.293056 logG= -0.028829 TDE= -0.170749 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.023250 logG= -0.028057 Density= 0.213431 ETOT(band)= -0.233559 trlgG= -0.292273 logG= -0.028057 TDE= -0.170701 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004764 tlogG= -0.024013 logG= -0.028776 Density= 0.214045 ETOT(band)= -0.234035 trlgG= -0.294184 logG= -0.028776 TDE= -0.171186 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001231 tlogG= -0.005470 logG= -0.006701 Density= 0.081170 ETOT(band)= -0.086338 trlgG= -0.107393 logG= -0.006701 TDE= -0.042562 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004819 tlogG= -0.022333 logG= -0.027152 Density= 0.214955 ETOT(band)= -0.231903 trlgG= -0.289144 logG= -0.027152 TDE= -0.170211 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001441 tlogG= -0.007967 logG= -0.009408 Density= 0.070846 ETOT(band)= -0.077929 trlgG= -0.097468 logG= -0.009408 TDE= -0.056947 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004323 tlogG= -0.024137 logG= -0.028460 Density= 0.212110 ETOT(band)= -0.234312 trlgG= -0.293731 logG= -0.028460 TDE= -0.170933 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001284 tlogG= -0.005941 logG= -0.007224 Density= 0.080800 ETOT(band)= -0.087631 trlgG= -0.110386 logG= -0.007224 TDE= -0.042855 logGD-logG0= -0.001590 tlogG= -0.006877 logG= -0.008466 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040832 ETOT(band)= -0.042666 trlgG= -0.052811 logG= -0.008466 TDE= -0.056449 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001279 tlogG= -0.005857 logG= -0.007136 Density= 0.080618 ETOT(band)= -0.087595 trlgG= -0.110188 logG= -0.007136 TDE= -0.042801 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.005985 logG= -0.007268 logGD-logG0= -0.001580 tlogG= -0.007590 logG= -0.009170 Density= 0.071474 ETOT(band)= -0.077330 trlgG= -0.096172 logG= -0.009170 TDE= -0.056723 Density= 0.081028 ETOT(band)= -0.087534 trlgG= -0.110440 logG= -0.007268 TDE= -0.042885 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.022912 logG= -0.027903 Density= 0.214724 ETOT(band)= -0.232349 trlgG= -0.289744 logG= -0.027903 TDE= -0.170388 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024007 logG= -0.029257 Density= 0.215601 ETOT(band)= -0.233813 trlgG= -0.294884 logG= -0.029257 TDE= -0.171534 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.023805 logG= -0.029089 Density= 0.215251 ETOT(band)= -0.233717 trlgG= -0.294230 logG= -0.029089 TDE= -0.171381 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.024005 logG= -0.029219 Density= 0.216267 ETOT(band)= -0.233297 trlgG= -0.294411 logG= -0.029219 TDE= -0.171551 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023490 logG= -0.028766 Density= 0.215135 ETOT(band)= -0.233281 trlgG= -0.292965 logG= -0.028766 TDE= -0.171124 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.024127 logG= -0.029471 logGD-logG0= -0.004796 tlogG= -0.024012 logG= -0.028808 Density= 0.215633 ETOT(band)= -0.233969 trlgG= -0.295299 logG= -0.029471 TDE= -0.171565 Density= 0.321450 ETOT(band)= -0.351033 trlgG= -0.441423 logG= -0.028808 TDE= -0.171182 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023852 logG= -0.028951 logGD-logG0= -0.005068 tlogG= -0.024169 logG= -0.029237 Density= 0.215412 ETOT(band)= -0.233714 trlgG= -0.294333 logG= -0.028951 TDE= -0.171069 Density= 0.322319 ETOT(band)= -0.351151 trlgG= -0.442103 logG= -0.029237 TDE= -0.171188 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.023962 logG= -0.029169 Density= 0.216301 ETOT(band)= -0.233193 trlgG= -0.294179 logG= -0.029169 TDE= -0.171524 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.023592 logG= -0.028104 Density= 0.212557 ETOT(band)= -0.233933 trlgG= -0.292784 logG= -0.028104 TDE= -0.170651 logGD-logG0= -0.004456 tlogG= -0.023745 logG= -0.028202 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213023 ETOT(band)= -0.233527 trlgG= -0.291811 logG= -0.028202 TDE= -0.170736 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010503 tlogG= -0.047247 logG= -0.057750 logGD-logG0= -0.010457 tlogG= -0.047798 logG= -0.058255 Density= 0.324220 ETOT(band)= -0.349850 trlgG= -0.441114 logG= -0.058255 TDE= -0.342942 logGD-logG0= -0.010223 tlogG= -0.045645 logG= -0.055868 Density= 0.323923 ETOT(band)= -0.347878 trlgG= -0.435058 logG= -0.055868 TDE= -0.341371 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010740 tlogG= -0.048053 logG= -0.058793 Density= 0.324005 ETOT(band)= -0.349482 trlgG= -0.439765 logG= -0.057750 TDE= -0.342551 Density= 0.323121 ETOT(band)= -0.350919 trlgG= -0.442453 logG= -0.058793 TDE= -0.342933 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.023374 logG= -0.028081 logGD-logG0= -0.004626 tlogG= -0.023896 logG= -0.028522 Density= 0.213214 ETOT(band)= -0.233805 trlgG= -0.292544 logG= -0.028522 TDE= -0.170740 Density= 0.321525 ETOT(band)= -0.349983 trlgG= -0.438844 logG= -0.028081 TDE= -0.170857 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005042 tlogG= -0.024163 logG= -0.029205 logGD-logG0= -0.005227 tlogG= -0.023768 logG= -0.028995 Density= 0.216192 ETOT(band)= -0.232995 trlgG= -0.293474 logG= -0.028995 TDE= -0.171383 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214661 ETOT(band)= -0.234119 trlgG= -0.294584 logG= -0.029205 TDE= -0.171193 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005392 tlogG= -0.023903 logG= -0.029295 Density= 0.215561 ETOT(band)= -0.233715 trlgG= -0.294612 logG= -0.029295 TDE= -0.171389 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009730 tlogG= -0.046618 logG= -0.056349 Density= 0.322591 ETOT(band)= -0.348941 trlgG= -0.436488 logG= -0.056349 TDE= -0.341524 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.046427 logG= -0.056926 logGD-logG0= -0.001193 tlogG= -0.005173 logG= -0.006366 Density= 0.323872 ETOT(band)= -0.348824 trlgG= -0.437678 logG= -0.056926 TDE= -0.341994 logGD-logG0= -0.005053 tlogG= -0.023252 logG= -0.028305 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321588 ETOT(band)= -0.350492 trlgG= -0.439697 logG= -0.028305 TDE= -0.170811 Density= 0.062520 ETOT(band)= -0.067529 trlgG= -0.084224 logG= -0.006366 TDE= -0.042349 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005377 tlogG= -0.023963 logG= -0.029339 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323533 ETOT(band)= -0.350593 trlgG= -0.442199 logG= -0.029339 TDE= -0.171437 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009003 tlogG= -0.048108 logG= -0.057111 Density= 0.425403 ETOT(band)= -0.468225 trlgG= -0.586558 logG= -0.057111 TDE= -0.341692 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009494 tlogG= -0.046726 logG= -0.056220 Density= 0.427755 ETOT(band)= -0.466021 trlgG= -0.581946 logG= -0.056220 TDE= -0.341131 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.024091 logG= -0.029364 Density= 0.322936 ETOT(band)= -0.351126 trlgG= -0.442755 logG= -0.029364 TDE= -0.171379 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005440 tlogG= -0.023689 logG= -0.029129 Density= 0.215325 ETOT(band)= -0.233566 trlgG= -0.293913 logG= -0.029129 TDE= -0.171212 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010301 tlogG= -0.047682 logG= -0.057982 Density= 0.428139 ETOT(band)= -0.468038 trlgG= -0.587286 logG= -0.057982 TDE= -0.341819 logGD-logG0= -0.010192 tlogG= -0.048161 logG= -0.058353 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429142 ETOT(band)= -0.468172 trlgG= -0.588729 logG= -0.058353 TDE= -0.342226 logGD-logG0= -0.009688 tlogG= -0.047851 logG= -0.057540 Density= 0.427888 ETOT(band)= -0.468053 trlgG= -0.587953 logG= -0.057540 TDE= -0.342178 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010534 tlogG= -0.048085 logG= -0.058619 Density= 0.429979 ETOT(band)= -0.468010 trlgG= -0.589170 logG= -0.058619 TDE= -0.342563 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009648 tlogG= -0.047784 logG= -0.057431 Density= 0.427034 ETOT(band)= -0.467811 trlgG= -0.585934 logG= -0.057431 TDE= -0.341411 logGD-logG0= -0.004932 tlogG= -0.021309 logG= -0.026241 Density= 0.162585 ETOT(band)= -0.172954 trlgG= -0.215965 logG= -0.026241 TDE= -0.169840 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010325 tlogG= -0.048235 logG= -0.058560 logGD-logG0= -0.009550 tlogG= -0.046619 logG= -0.056170 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427954 ETOT(band)= -0.466746 trlgG= -0.584556 logG= -0.056170 TDE= -0.341548 Density= 0.429873 ETOT(band)= -0.468179 trlgG= -0.589497 logG= -0.058560 TDE= -0.342437 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010360 tlogG= -0.047970 logG= -0.058330 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429045 ETOT(band)= -0.468133 trlgG= -0.588372 logG= -0.058330 TDE= -0.342063 logGD-logG0= -0.010810 tlogG= -0.047703 logG= -0.058513 Density= 0.430924 ETOT(band)= -0.467380 trlgG= -0.588820 logG= -0.058513 TDE= -0.342687 logGD-logG0= -0.004859 tlogG= -0.022334 logG= -0.027193 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009864 tlogG= -0.047866 logG= -0.057730 Density= 0.428979 ETOT(band)= -0.467834 trlgG= -0.587933 logG= -0.057730 TDE= -0.342166 Density= 0.322760 ETOT(band)= -0.347908 trlgG= -0.434097 logG= -0.027193 TDE= -0.170205 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010363 tlogG= -0.046944 logG= -0.057307 Density= 0.429724 ETOT(band)= -0.466379 trlgG= -0.584329 logG= -0.057307 TDE= -0.341531 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.047744 logG= -0.058447 Density= 0.430584 ETOT(band)= -0.467435 trlgG= -0.588459 logG= -0.058447 TDE= -0.342580 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010761 tlogG= -0.047283 logG= -0.058044 Density= 0.430318 ETOT(band)= -0.467009 trlgG= -0.586986 logG= -0.058044 TDE= -0.342196 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009979 tlogG= -0.046413 logG= -0.056392 Density= 0.429383 ETOT(band)= -0.465459 trlgG= -0.581631 logG= -0.056392 TDE= -0.341244 logGD-logG0= -0.010734 tlogG= -0.048029 logG= -0.058763 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431162 ETOT(band)= -0.467663 trlgG= -0.589815 logG= -0.058763 TDE= -0.342951 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001211 tlogG= -0.005309 logG= -0.006520 Density= 0.081526 ETOT(band)= -0.085671 trlgG= -0.106235 logG= -0.006520 TDE= -0.042451 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010045 tlogG= -0.047571 logG= -0.057616 Density= 0.428457 ETOT(band)= -0.467382 trlgG= -0.586327 logG= -0.057616 TDE= -0.341864 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010287 tlogG= -0.047584 logG= -0.057871 Density= 0.429850 ETOT(band)= -0.467028 trlgG= -0.586260 logG= -0.057871 TDE= -0.341976 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.021358 logG= -0.026373 Density= 0.216938 ETOT(band)= -0.229135 trlgG= -0.284345 logG= -0.026373 TDE= -0.169853 logGD-logG0= -0.010015 tlogG= -0.044637 logG= -0.054652 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324167 ETOT(band)= -0.346608 trlgG= -0.432047 logG= -0.054652 TDE= -0.340694 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009693 tlogG= -0.047665 logG= -0.057358 Density= 0.426531 ETOT(band)= -0.468259 trlgG= -0.587079 logG= -0.057358 TDE= -0.341708 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.022298 logG= -0.027270 logGD-logG0= -0.004941 tlogG= -0.022479 logG= -0.027420 Density= 0.214951 ETOT(band)= -0.231613 trlgG= -0.288100 logG= -0.027420 TDE= -0.170137 Density= 0.214192 ETOT(band)= -0.232387 trlgG= -0.289494 logG= -0.027270 TDE= -0.170124 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.021214 logG= -0.026187 Density= 0.216267 ETOT(band)= -0.229994 trlgG= -0.285599 logG= -0.026187 TDE= -0.169760 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005104 tlogG= -0.021887 logG= -0.026991 Density= 0.216545 ETOT(band)= -0.230243 trlgG= -0.286549 logG= -0.026991 TDE= -0.170185 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009865 tlogG= -0.044638 logG= -0.054503 Density= 0.431454 ETOT(band)= -0.461989 trlgG= -0.574855 logG= -0.054503 TDE= -0.340330 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001701 tlogG= -0.007119 logG= -0.008821 Density= 0.072203 ETOT(band)= -0.076465 trlgG= -0.094862 logG= -0.008821 TDE= -0.056609 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.753099790068 eV TrLogG= -407.294903290593 eV Ratio to renormalize= 1.000392977460 rho-rho_expected=-0.008642107967 nargs= 1 argi=dmft2.def 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 72 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964572825466735 0.940244219917568 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002434 tlogG= -0.012085 logG= -0.014520 Density= 0.053566 ETOT(band)= -0.058534 trlgG= -0.073641 logG= -0.014520 TDE= -0.085628 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.012036 logG= -0.014652 Density= 0.053743 ETOT(band)= -0.058523 trlgG= -0.073698 logG= -0.014652 TDE= -0.085641 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001495 tlogG= -0.007813 logG= -0.009308 Density= 0.035482 ETOT(band)= -0.038916 trlgG= -0.048615 logG= -0.009308 TDE= -0.056865 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002346 tlogG= -0.011451 logG= -0.013797 Density= 0.053719 ETOT(band)= -0.058058 trlgG= -0.072514 logG= -0.013797 TDE= -0.085299 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001414 tlogG= -0.008046 logG= -0.009460 Density= 0.035303 ETOT(band)= -0.039067 trlgG= -0.048979 logG= -0.009460 TDE= -0.056988 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002339 tlogG= -0.011887 logG= -0.014226 Density= 0.053544 ETOT(band)= -0.058389 trlgG= -0.073278 logG= -0.014226 TDE= -0.085548 logGD-logG0= -0.005063 tlogG= -0.022465 logG= -0.027528 Density= 0.108164 ETOT(band)= -0.115715 trlgG= -0.144592 logG= -0.027528 TDE= -0.170589 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.024079 logG= -0.029386 logGD-logG0= -0.005174 tlogG= -0.023437 logG= -0.028611 Density= 0.107603 ETOT(band)= -0.117047 trlgG= -0.147542 logG= -0.029386 TDE= -0.171404 Density= 0.108090 ETOT(band)= -0.116359 trlgG= -0.146315 logG= -0.028611 TDE= -0.171192 logGD-logG0= -0.005179 tlogG= -0.023770 logG= -0.028950 Density= 0.108136 ETOT(band)= -0.116522 trlgG= -0.146851 logG= -0.028950 TDE= -0.171412 logGD-logG0= -0.004348 tlogG= -0.024058 logG= -0.028406 Density= 0.106087 ETOT(band)= -0.117137 trlgG= -0.146810 logG= -0.028406 TDE= -0.170902 logGD-logG0= -0.005167 tlogG= -0.023957 logG= -0.029123 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108187 ETOT(band)= -0.116597 trlgG= -0.147129 logG= -0.029123 TDE= -0.171542 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005132 tlogG= -0.022990 logG= -0.028122 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108095 ETOT(band)= -0.116089 trlgG= -0.145540 logG= -0.028122 TDE= -0.170909 logGD-logG0= -0.005339 tlogG= -0.023910 logG= -0.029249 Density= 0.107712 ETOT(band)= -0.116914 trlgG= -0.147327 logG= -0.029249 TDE= -0.171379 logGD-logG0= -0.004980 tlogG= -0.022177 logG= -0.027158 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004375 tlogG= -0.023981 logG= -0.028356 Density= 0.106139 ETOT(band)= -0.117093 trlgG= -0.146697 logG= -0.028356 TDE= -0.170864 Density= 0.108320 ETOT(band)= -0.115410 trlgG= -0.143985 logG= -0.027158 TDE= -0.170429 logGD-logG0= -0.002573 tlogG= -0.011987 logG= -0.014561 Density= 0.054117 ETOT(band)= -0.058286 trlgG= -0.073563 logG= -0.014561 TDE= -0.085782 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.024053 logG= -0.028624 Density= 0.106356 ETOT(band)= -0.117127 trlgG= -0.146821 logG= -0.028624 TDE= -0.170828 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004891 tlogG= -0.022857 logG= -0.027748 logGD-logG0= -0.004649 tlogG= -0.023212 logG= -0.027861 Density= 0.107711 ETOT(band)= -0.116070 trlgG= -0.144955 logG= -0.027748 TDE= -0.170507 Density= 0.106705 ETOT(band)= -0.116595 trlgG= -0.145492 logG= -0.027861 TDE= -0.170433 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002642 tlogG= -0.011991 logG= -0.014633 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053962 ETOT(band)= -0.058407 trlgG= -0.073683 logG= -0.014633 TDE= -0.085753 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.024093 logG= -0.029411 logGD-logG0= -0.005022 tlogG= -0.024100 logG= -0.029121 Density= 0.107847 ETOT(band)= -0.116956 trlgG= -0.147607 logG= -0.029411 TDE= -0.171564 Density= 0.107341 ETOT(band)= -0.117011 trlgG= -0.147165 logG= -0.029121 TDE= -0.171161 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023878 logG= -0.029032 Density= 0.108207 ETOT(band)= -0.116532 trlgG= -0.146981 logG= -0.029032 TDE= -0.171495 logGD-logG0= -0.005156 tlogG= -0.023612 logG= -0.028768 Density= 0.108162 ETOT(band)= -0.116406 trlgG= -0.146560 logG= -0.028768 TDE= -0.171316 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005351 tlogG= -0.024139 logG= -0.029490 Density= 0.107770 ETOT(band)= -0.117044 trlgG= -0.147732 logG= -0.029490 TDE= -0.171572 logGD-logG0= -0.005025 tlogG= -0.023651 logG= -0.028676 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106943 ETOT(band)= -0.116907 trlgG= -0.146320 logG= -0.028676 TDE= -0.170565 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023676 logG= -0.028382 Density= 0.106565 ETOT(band)= -0.116933 trlgG= -0.146405 logG= -0.028382 TDE= -0.170757 logGD-logG0= -0.005125 tlogG= -0.023223 logG= -0.028348 logGD-logG0= -0.005258 tlogG= -0.023974 logG= -0.029232 Density= 0.108154 ETOT(band)= -0.116183 trlgG= -0.145896 logG= -0.028348 TDE= -0.171068 logGD-logG0= -0.004858 tlogG= -0.023695 logG= -0.028553 logGD-logG0= -0.004736 tlogG= -0.022996 logG= -0.027732 Density= 0.106840 ETOT(band)= -0.116464 trlgG= -0.145229 logG= -0.027732 TDE= -0.170367 Density= 0.107342 ETOT(band)= -0.116700 trlgG= -0.146423 logG= -0.028553 TDE= -0.170987 logGD-logG0= -0.005059 tlogG= -0.022741 logG= -0.027800 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107406 ETOT(band)= -0.117033 trlgG= -0.147268 logG= -0.029232 TDE= -0.171186 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108209 ETOT(band)= -0.115853 trlgG= -0.145029 logG= -0.027800 TDE= -0.170775 logGD-logG0= -0.005315 tlogG= -0.023691 logG= -0.029005 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023901 logG= -0.028831 Density= 0.106722 ETOT(band)= -0.117089 trlgG= -0.146933 logG= -0.028831 TDE= -0.170914 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107194 ETOT(band)= -0.116980 trlgG= -0.146872 logG= -0.029005 TDE= -0.170911 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.023693 logG= -0.028429 Density= 0.106941 ETOT(band)= -0.116817 trlgG= -0.146511 logG= -0.028429 TDE= -0.171002 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004768 tlogG= -0.022859 logG= -0.027627 Density= 0.107263 ETOT(band)= -0.116213 trlgG= -0.145079 logG= -0.027627 TDE= -0.170531 logGD-logG0= -0.005329 tlogG= -0.023204 logG= -0.028533 logGD-logG0= -0.004909 tlogG= -0.024076 logG= -0.028985 Density= 0.107020 ETOT(band)= -0.117071 trlgG= -0.147189 logG= -0.028985 TDE= -0.171163 Density= 0.107645 ETOT(band)= -0.116523 trlgG= -0.146176 logG= -0.028533 TDE= -0.170911 logGD-logG0= -0.005138 tlogG= -0.022883 logG= -0.028021 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023877 logG= -0.029180 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107875 ETOT(band)= -0.116782 trlgG= -0.147222 logG= -0.029180 TDE= -0.171423 Density= 0.107579 ETOT(band)= -0.116274 trlgG= -0.145366 logG= -0.028021 TDE= -0.170580 logGD-logG0= -0.009840 tlogG= -0.048258 logG= -0.058098 logGD-logG0= -0.009526 tlogG= -0.045775 logG= -0.055301 Density= 0.214948 ETOT(band)= -0.232260 trlgG= -0.290061 logG= -0.055301 TDE= -0.341127 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214328 ETOT(band)= -0.234103 trlgG= -0.294455 logG= -0.058098 TDE= -0.342417 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.024065 logG= -0.029357 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107906 ETOT(band)= -0.116889 trlgG= -0.147518 logG= -0.029357 TDE= -0.171558 logGD-logG0= -0.002416 tlogG= -0.010430 logG= -0.012846 Density= 0.054358 ETOT(band)= -0.057063 trlgG= -0.070710 logG= -0.012846 TDE= -0.084764 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005341 tlogG= -0.023586 logG= -0.028927 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107760 ETOT(band)= -0.116686 trlgG= -0.146806 logG= -0.028927 TDE= -0.171204 logGD-logG0= -0.009162 tlogG= -0.047645 logG= -0.056807 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009706 tlogG= -0.047173 logG= -0.056879 Density= 0.212862 ETOT(band)= -0.233988 trlgG= -0.292944 logG= -0.056807 TDE= -0.341472 logGD-logG0= -0.009986 tlogG= -0.047914 logG= -0.057900 Density= 0.213898 ETOT(band)= -0.234139 trlgG= -0.294141 logG= -0.057900 TDE= -0.342088 Density= 0.213699 ETOT(band)= -0.233692 trlgG= -0.292874 logG= -0.056879 TDE= -0.341745 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009864 tlogG= -0.047171 logG= -0.057035 Density= 0.213710 ETOT(band)= -0.233737 trlgG= -0.292667 logG= -0.057035 TDE= -0.341387 logGD-logG0= -0.005039 tlogG= -0.022415 logG= -0.027455 logGD-logG0= -0.009479 tlogG= -0.047461 logG= -0.056940 logGD-logG0= -0.009591 tlogG= -0.047946 logG= -0.057537 Density= 0.213206 ETOT(band)= -0.234200 trlgG= -0.293589 logG= -0.057537 TDE= -0.341557 logGD-logG0= -0.010517 tlogG= -0.048097 logG= -0.058614 Density= 0.214994 ETOT(band)= -0.234083 trlgG= -0.294800 logG= -0.058614 TDE= -0.342576 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214241 ETOT(band)= -0.233525 trlgG= -0.293007 logG= -0.056940 TDE= -0.342084 logGD-logG0= -0.001633 tlogG= -0.006994 logG= -0.008627 Density= 0.036183 ETOT(band)= -0.038120 trlgG= -0.047259 logG= -0.008627 TDE= -0.056537 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.048044 logG= -0.058153 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214458 ETOT(band)= -0.234050 trlgG= -0.294205 logG= -0.058153 TDE= -0.342176 logGD-logG0= -0.010598 tlogG= -0.048031 logG= -0.058629 Density= 0.215030 ETOT(band)= -0.234074 trlgG= -0.294827 logG= -0.058629 TDE= -0.342606 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047762 logG= -0.058324 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214682 ETOT(band)= -0.234028 trlgG= -0.294288 logG= -0.058324 TDE= -0.342200 logGD-logG0= -0.010225 tlogG= -0.047675 logG= -0.057900 logGD-logG0= -0.010365 tlogG= -0.047995 logG= -0.058360 Density= 0.213879 ETOT(band)= -0.234126 trlgG= -0.293893 logG= -0.057900 TDE= -0.341831 Density= 0.214997 ETOT(band)= -0.233938 trlgG= -0.294384 logG= -0.058360 TDE= -0.342414 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010426 tlogG= -0.047802 logG= -0.058228 logGD-logG0= -0.001699 tlogG= -0.007307 logG= -0.009006 Density= 0.035832 ETOT(band)= -0.038568 trlgG= -0.047918 logG= -0.009006 TDE= -0.056644 logGD-logG0= -0.009910 tlogG= -0.045664 logG= -0.055574 Density= 0.215078 ETOT(band)= -0.232337 trlgG= -0.290054 logG= -0.055574 TDE= -0.340911 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214582 ETOT(band)= -0.234022 trlgG= -0.294118 logG= -0.058228 TDE= -0.342076 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002476 tlogG= -0.010845 logG= -0.013321 Density= 0.054044 ETOT(band)= -0.057579 trlgG= -0.071556 logG= -0.013321 TDE= -0.084979 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.047955 logG= -0.058538 Density= 0.215816 ETOT(band)= -0.233648 trlgG= -0.294738 logG= -0.058538 TDE= -0.342996 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010657 tlogG= -0.047542 logG= -0.058199 Density= 0.215621 ETOT(band)= -0.233531 trlgG= -0.294174 logG= -0.058199 TDE= -0.342675 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010620 tlogG= -0.047438 logG= -0.058058 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215390 ETOT(band)= -0.233571 trlgG= -0.293933 logG= -0.058058 TDE= -0.342461 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010451 tlogG= -0.047325 logG= -0.057776 logGD-logG0= -0.010223 tlogG= -0.046428 logG= -0.056651 Density= 0.215142 ETOT(band)= -0.232901 trlgG= -0.291687 logG= -0.056651 TDE= -0.341499 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214190 ETOT(band)= -0.233920 trlgG= -0.293369 logG= -0.057776 TDE= -0.341585 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010638 tlogG= -0.047903 logG= -0.058541 logGD-logG0= -0.010711 tlogG= -0.048162 logG= -0.058873 Density= 0.215688 ETOT(band)= -0.233721 trlgG= -0.294739 logG= -0.058541 TDE= -0.342932 Density= 0.215345 ETOT(band)= -0.234101 trlgG= -0.295266 logG= -0.058873 TDE= -0.342957 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107599 ETOT(band)= -0.115940 trlgG= -0.144469 logG= -0.027455 TDE= -0.170260 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004761 tlogG= -0.023507 logG= -0.028268 Density= 0.106740 ETOT(band)= -0.116787 trlgG= -0.145977 logG= -0.028268 TDE= -0.170529 logGD-logG0= -0.009834 tlogG= -0.047239 logG= -0.057072 logGD-logG0= -0.009805 tlogG= -0.045604 logG= -0.055409 Density= 0.214406 ETOT(band)= -0.233487 trlgG= -0.292782 logG= -0.057072 TDE= -0.341808 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214296 ETOT(band)= -0.232608 trlgG= -0.290236 logG= -0.055409 TDE= -0.340871 logGD-logG0= -0.010135 tlogG= -0.047168 logG= -0.057303 logGD-logG0= -0.010662 tlogG= -0.046896 logG= -0.057558 Density= 0.215076 ETOT(band)= -0.233303 trlgG= -0.292705 logG= -0.057303 TDE= -0.341832 Density= 0.215353 ETOT(band)= -0.233294 trlgG= -0.293132 logG= -0.057558 TDE= -0.342142 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.021883 logG= -0.026898 Density= 0.108284 ETOT(band)= -0.115225 trlgG= -0.143536 logG= -0.026898 TDE= -0.170222 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004929 tlogG= -0.021572 logG= -0.026502 Density= 0.108474 ETOT(band)= -0.114859 trlgG= -0.142856 logG= -0.026502 TDE= -0.170033 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004848 tlogG= -0.020997 logG= -0.025846 Density= 0.108670 ETOT(band)= -0.114272 trlgG= -0.141700 logG= -0.025846 TDE= -0.169630 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.021825 logG= -0.026921 Density= 0.107753 ETOT(band)= -0.115512 trlgG= -0.143595 logG= -0.026921 TDE= -0.169995 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005036 tlogG= -0.021702 logG= -0.026738 Density= 0.107895 ETOT(band)= -0.115320 trlgG= -0.143286 logG= -0.026738 TDE= -0.169939 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010067 tlogG= -0.043404 logG= -0.053472 Density= 0.216203 ETOT(band)= -0.230431 trlgG= -0.286549 logG= -0.053472 TDE= -0.340065 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001264 tlogG= -0.005750 logG= -0.007014 Density= 0.080609 ETOT(band)= -0.087382 trlgG= -0.109636 logG= -0.007014 TDE= -0.042737 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005857 logG= -0.007136 Density= 0.080620 ETOT(band)= -0.087598 trlgG= -0.110191 logG= -0.007136 TDE= -0.042803 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.005941 logG= -0.007224 logGD-logG0= -0.001243 tlogG= -0.005621 logG= -0.006864 Density= 0.080802 ETOT(band)= -0.087634 trlgG= -0.110389 logG= -0.007224 TDE= -0.042857 Density= 0.080810 ETOT(band)= -0.086953 trlgG= -0.108633 logG= -0.006864 TDE= -0.042661 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.024008 logG= -0.029256 Density= 0.215607 ETOT(band)= -0.233821 trlgG= -0.294893 logG= -0.029256 TDE= -0.171540 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005985 logG= -0.007267 Density= 0.081030 ETOT(band)= -0.087537 trlgG= -0.110443 logG= -0.007267 TDE= -0.042887 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.007968 logG= -0.009408 Density= 0.070847 ETOT(band)= -0.077933 trlgG= -0.097472 logG= -0.009408 TDE= -0.056950 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005282 tlogG= -0.023806 logG= -0.029088 Density= 0.215257 ETOT(band)= -0.233725 trlgG= -0.294239 logG= -0.029088 TDE= -0.171387 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004599 tlogG= -0.023979 logG= -0.028579 Density= 0.212745 ETOT(band)= -0.234224 trlgG= -0.293549 logG= -0.028579 TDE= -0.170795 logGD-logG0= -0.005212 tlogG= -0.024006 logG= -0.029218 Density= 0.216273 ETOT(band)= -0.233304 trlgG= -0.294419 logG= -0.029218 TDE= -0.171558 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.023890 logG= -0.028829 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213719 ETOT(band)= -0.233966 trlgG= -0.293066 logG= -0.028829 TDE= -0.170756 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023491 logG= -0.028765 logGD-logG0= -0.005141 tlogG= -0.022447 logG= -0.027588 Density= 0.215140 ETOT(band)= -0.233289 trlgG= -0.292974 logG= -0.028765 TDE= -0.171131 Density= 0.216294 ETOT(band)= -0.231248 trlgG= -0.288672 logG= -0.027588 TDE= -0.170530 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004322 tlogG= -0.024138 logG= -0.028460 Density= 0.212113 ETOT(band)= -0.234323 trlgG= -0.293744 logG= -0.028460 TDE= -0.170941 logGD-logG0= -0.004857 tlogG= -0.023843 logG= -0.028700 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213505 ETOT(band)= -0.234104 trlgG= -0.293803 logG= -0.028700 TDE= -0.171011 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023852 logG= -0.028950 Density= 0.215418 ETOT(band)= -0.233721 trlgG= -0.294341 logG= -0.028950 TDE= -0.171075 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004762 tlogG= -0.024013 logG= -0.028776 logGD-logG0= -0.005231 tlogG= -0.023422 logG= -0.028653 Density= 0.216118 ETOT(band)= -0.232622 trlgG= -0.292274 logG= -0.028653 TDE= -0.171151 Density= 0.214050 ETOT(band)= -0.234044 trlgG= -0.294194 logG= -0.028776 TDE= -0.171193 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.022975 logG= -0.028178 Density= 0.216147 ETOT(band)= -0.232047 trlgG= -0.290658 logG= -0.028178 TDE= -0.170864 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005342 tlogG= -0.024128 logG= -0.029470 logGD-logG0= -0.004674 tlogG= -0.023377 logG= -0.028052 Density= 0.214115 ETOT(band)= -0.233329 trlgG= -0.292399 logG= -0.028052 TDE= -0.170871 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004805 tlogG= -0.023251 logG= -0.028056 Density= 0.213434 ETOT(band)= -0.233568 trlgG= -0.292284 logG= -0.028056 TDE= -0.170707 Density= 0.215639 ETOT(band)= -0.233977 trlgG= -0.295308 logG= -0.029470 TDE= -0.171572 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005101 tlogG= -0.023964 logG= -0.029064 Density= 0.321457 ETOT(band)= -0.351047 trlgG= -0.441438 logG= -0.028808 TDE= -0.171189 Density= 0.214267 ETOT(band)= -0.234054 trlgG= -0.293977 logG= -0.029064 TDE= -0.171026 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.045646 logG= -0.055866 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005457 tlogG= -0.023363 logG= -0.028820 Density= 0.215032 ETOT(band)= -0.233315 trlgG= -0.292780 logG= -0.028820 TDE= -0.170925 Density= 0.323931 ETOT(band)= -0.347890 trlgG= -0.435069 logG= -0.055866 TDE= -0.341383 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.024169 logG= -0.029236 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004455 tlogG= -0.023746 logG= -0.028202 Density= 0.213026 ETOT(band)= -0.233537 trlgG= -0.291823 logG= -0.028202 TDE= -0.170743 Density= 0.322326 ETOT(band)= -0.351163 trlgG= -0.442117 logG= -0.029236 TDE= -0.171195 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010737 tlogG= -0.048055 logG= -0.058792 Density= 0.323129 ETOT(band)= -0.350930 trlgG= -0.442466 logG= -0.058792 TDE= -0.342947 logGD-logG0= -0.001589 tlogG= -0.006877 logG= -0.008466 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001192 tlogG= -0.005173 logG= -0.006366 Density= 0.062521 ETOT(band)= -0.067532 trlgG= -0.084226 logG= -0.006366 TDE= -0.042351 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005205 tlogG= -0.023963 logG= -0.029168 logGD-logG0= -0.010454 tlogG= -0.047800 logG= -0.058253 Density= 0.216307 ETOT(band)= -0.233200 trlgG= -0.294187 logG= -0.029168 TDE= -0.171531 Density= 0.324229 ETOT(band)= -0.349861 trlgG= -0.441126 logG= -0.058253 TDE= -0.342955 Density= 0.040833 ETOT(band)= -0.042667 trlgG= -0.052812 logG= -0.008466 TDE= -0.056451 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.047249 logG= -0.057748 Density= 0.324013 ETOT(band)= -0.349493 trlgG= -0.439777 logG= -0.057748 TDE= -0.342563 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.023769 logG= -0.028994 Density= 0.216197 ETOT(band)= -0.233002 trlgG= -0.293482 logG= -0.028994 TDE= -0.171390 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.024164 logG= -0.029205 Density= 0.214666 ETOT(band)= -0.234128 trlgG= -0.294594 logG= -0.029205 TDE= -0.171199 logGD-logG0= -0.004511 tlogG= -0.023593 logG= -0.028104 Density= 0.212559 ETOT(band)= -0.233943 trlgG= -0.292797 logG= -0.028104 TDE= -0.170658 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023374 logG= -0.028080 logGD-logG0= -0.010496 tlogG= -0.046429 logG= -0.056925 Density= 0.323880 ETOT(band)= -0.348835 trlgG= -0.437690 logG= -0.056925 TDE= -0.342007 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.024092 logG= -0.029363 Density= 0.321531 ETOT(band)= -0.349996 trlgG= -0.438859 logG= -0.028080 TDE= -0.170864 Density= 0.322944 ETOT(band)= -0.351138 trlgG= -0.442769 logG= -0.029363 TDE= -0.171385 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009728 tlogG= -0.046619 logG= -0.056347 logGD-logG0= -0.005052 tlogG= -0.023252 logG= -0.028304 Density= 0.321594 ETOT(band)= -0.350505 trlgG= -0.439711 logG= -0.028304 TDE= -0.170817 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322597 ETOT(band)= -0.348954 trlgG= -0.436502 logG= -0.056347 TDE= -0.341537 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.023904 logG= -0.029294 Density= 0.215567 ETOT(band)= -0.233723 trlgG= -0.294620 logG= -0.029294 TDE= -0.171396 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005375 tlogG= -0.023964 logG= -0.029338 Density= 0.323541 ETOT(band)= -0.350604 trlgG= -0.442212 logG= -0.029338 TDE= -0.171444 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005438 tlogG= -0.023690 logG= -0.029128 Density= 0.215330 ETOT(band)= -0.233574 trlgG= -0.293922 logG= -0.029128 TDE= -0.171218 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009686 tlogG= -0.047853 logG= -0.057538 logGD-logG0= -0.001580 tlogG= -0.007590 logG= -0.009170 Density= 0.071475 ETOT(band)= -0.077333 trlgG= -0.096176 logG= -0.009170 TDE= -0.056725 Density= 0.427896 ETOT(band)= -0.468071 trlgG= -0.587974 logG= -0.057538 TDE= -0.342192 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009001 tlogG= -0.048109 logG= -0.057111 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425409 ETOT(band)= -0.468245 trlgG= -0.586582 logG= -0.057111 TDE= -0.341706 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005470 logG= -0.006700 Density= 0.081172 ETOT(band)= -0.086341 trlgG= -0.107396 logG= -0.006700 TDE= -0.042564 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005191 tlogG= -0.023203 logG= -0.028394 Density= 0.214796 ETOT(band)= -0.232914 trlgG= -0.291284 logG= -0.028394 TDE= -0.170581 logGD-logG0= -0.010322 tlogG= -0.048236 logG= -0.058558 Density= 0.429883 ETOT(band)= -0.468196 trlgG= -0.589516 logG= -0.058558 TDE= -0.342450 logGD-logG0= -0.009861 tlogG= -0.047868 logG= -0.057729 Density= 0.428988 ETOT(band)= -0.467851 trlgG= -0.587953 logG= -0.057729 TDE= -0.342179 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009547 tlogG= -0.046621 logG= -0.056168 Density= 0.427961 ETOT(band)= -0.466764 trlgG= -0.584577 logG= -0.056168 TDE= -0.341561 logGD-logG0= -0.010700 tlogG= -0.047745 logG= -0.058445 logGD-logG0= -0.010358 tlogG= -0.047971 logG= -0.058329 Density= 0.429055 ETOT(band)= -0.468150 trlgG= -0.588391 logG= -0.058329 TDE= -0.342076 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430595 ETOT(band)= -0.467451 trlgG= -0.588477 logG= -0.058445 TDE= -0.342593 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.047683 logG= -0.057981 Density= 0.428148 ETOT(band)= -0.468056 trlgG= -0.587306 logG= -0.057981 TDE= -0.341833 logGD-logG0= -0.009692 tlogG= -0.047666 logG= -0.057357 logGD-logG0= -0.009646 tlogG= -0.047785 logG= -0.057430 Density= 0.427041 ETOT(band)= -0.467830 trlgG= -0.585955 logG= -0.057430 TDE= -0.341425 logGD-logG0= -0.010189 tlogG= -0.048162 logG= -0.058352 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426538 ETOT(band)= -0.468278 trlgG= -0.587101 logG= -0.057357 TDE= -0.341722 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429151 ETOT(band)= -0.468189 trlgG= -0.588748 logG= -0.058352 TDE= -0.342239 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010806 tlogG= -0.047706 logG= -0.058511 Density= 0.430935 ETOT(band)= -0.467395 trlgG= -0.588838 logG= -0.058511 TDE= -0.342700 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010532 tlogG= -0.048086 logG= -0.058618 Density= 0.429990 ETOT(band)= -0.468026 trlgG= -0.589188 logG= -0.058618 TDE= -0.342576 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.021309 logG= -0.026239 Density= 0.162589 ETOT(band)= -0.172960 trlgG= -0.215970 logG= -0.026239 TDE= -0.169846 logGD-logG0= -0.009976 tlogG= -0.046414 logG= -0.056391 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429391 ETOT(band)= -0.465476 trlgG= -0.581650 logG= -0.056391 TDE= -0.341257 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010730 tlogG= -0.048031 logG= -0.058761 Density= 0.431173 ETOT(band)= -0.467679 trlgG= -0.589832 logG= -0.058761 TDE= -0.342965 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010360 tlogG= -0.046945 logG= -0.057306 Density= 0.429733 ETOT(band)= -0.466395 trlgG= -0.584347 logG= -0.057306 TDE= -0.341544 logGD-logG0= -0.001211 tlogG= -0.005309 logG= -0.006520 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081528 ETOT(band)= -0.085674 trlgG= -0.106237 logG= -0.006520 TDE= -0.042452 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010042 tlogG= -0.047573 logG= -0.057615 Density= 0.428465 ETOT(band)= -0.467400 trlgG= -0.586347 logG= -0.057615 TDE= -0.341878 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004817 tlogG= -0.022334 logG= -0.027151 Density= 0.214959 ETOT(band)= -0.231911 trlgG= -0.289154 logG= -0.027151 TDE= -0.170217 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004858 tlogG= -0.022335 logG= -0.027192 logGD-logG0= -0.010285 tlogG= -0.047585 logG= -0.057870 Density= 0.322766 ETOT(band)= -0.347921 trlgG= -0.434111 logG= -0.027192 TDE= -0.170212 Density= 0.429859 ETOT(band)= -0.467044 trlgG= -0.586278 logG= -0.057870 TDE= -0.341989 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010759 tlogG= -0.047284 logG= -0.058043 Density= 0.430328 ETOT(band)= -0.467025 trlgG= -0.587004 logG= -0.058043 TDE= -0.342209 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.044637 logG= -0.054650 Density= 0.324174 ETOT(band)= -0.346619 trlgG= -0.432058 logG= -0.054650 TDE= -0.340706 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009492 tlogG= -0.046727 logG= -0.056219 Density= 0.427762 ETOT(band)= -0.466040 trlgG= -0.581967 logG= -0.056219 TDE= -0.341145 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001701 tlogG= -0.007119 logG= -0.008820 Density= 0.072205 ETOT(band)= -0.076467 trlgG= -0.094865 logG= -0.008820 TDE= -0.056611 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004939 tlogG= -0.022480 logG= -0.027419 Density= 0.214955 ETOT(band)= -0.231622 trlgG= -0.288109 logG= -0.027419 TDE= -0.170144 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.022299 logG= -0.027270 Density= 0.214195 ETOT(band)= -0.232396 trlgG= -0.289504 logG= -0.027270 TDE= -0.170130 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004990 tlogG= -0.022912 logG= -0.027902 logGD-logG0= -0.004625 tlogG= -0.023897 logG= -0.028522 Density= 0.214728 ETOT(band)= -0.232358 trlgG= -0.289753 logG= -0.027902 TDE= -0.170395 Density= 0.213217 ETOT(band)= -0.233815 trlgG= -0.292556 logG= -0.028522 TDE= -0.170747 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005103 tlogG= -0.021887 logG= -0.026990 Density= 0.216550 ETOT(band)= -0.230250 trlgG= -0.286555 logG= -0.026990 TDE= -0.170190 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.021359 logG= -0.026372 Density= 0.216943 ETOT(band)= -0.229142 trlgG= -0.284352 logG= -0.026372 TDE= -0.169859 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004972 tlogG= -0.021214 logG= -0.026185 Density= 0.216272 ETOT(band)= -0.230001 trlgG= -0.285606 logG= -0.026185 TDE= -0.169765 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009861 tlogG= -0.044639 logG= -0.054501 Density= 0.431462 ETOT(band)= -0.462005 trlgG= -0.574871 logG= -0.054501 TDE= -0.340343 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.764740989520 eV TrLogG= -407.311023686490 eV Ratio to renormalize= 1.000371694932 rho-rho_expected=-0.008174250175 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964609413562756 0.940298785004756 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002339 tlogG= -0.011888 logG= -0.014226 Density= 0.053545 ETOT(band)= -0.058391 trlgG= -0.073281 logG= -0.014226 TDE= -0.085551 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023224 logG= -0.028348 Density= 0.108155 ETOT(band)= -0.116186 trlgG= -0.145901 logG= -0.028348 TDE= -0.171073 logGD-logG0= -0.005314 tlogG= -0.023692 logG= -0.029006 Density= 0.107196 ETOT(band)= -0.116984 trlgG= -0.146877 logG= -0.029006 TDE= -0.170917 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023677 logG= -0.028383 logGD-logG0= -0.005058 tlogG= -0.022743 logG= -0.027801 Density= 0.108210 ETOT(band)= -0.115856 trlgG= -0.145034 logG= -0.027801 TDE= -0.170781 logGD-logG0= -0.005137 tlogG= -0.022884 logG= -0.028021 Density= 0.107581 ETOT(band)= -0.116278 trlgG= -0.145371 logG= -0.028021 TDE= -0.170586 Density= 0.106567 ETOT(band)= -0.116937 trlgG= -0.146411 logG= -0.028383 TDE= -0.170762 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.023695 logG= -0.028430 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106943 ETOT(band)= -0.116822 trlgG= -0.146517 logG= -0.028430 TDE= -0.171008 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.024077 logG= -0.028985 Density= 0.107022 ETOT(band)= -0.117076 trlgG= -0.147195 logG= -0.028985 TDE= -0.171169 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002346 tlogG= -0.011452 logG= -0.013798 Density= 0.053720 ETOT(band)= -0.058060 trlgG= -0.072516 logG= -0.013798 TDE= -0.085302 logGD-logG0= -0.004347 tlogG= -0.024059 logG= -0.028407 Density= 0.106089 ETOT(band)= -0.117141 trlgG= -0.146816 logG= -0.028407 TDE= -0.170908 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.012036 logG= -0.014653 Density= 0.053744 ETOT(band)= -0.058525 trlgG= -0.073701 logG= -0.014653 TDE= -0.085643 logGD-logG0= -0.004648 tlogG= -0.023213 logG= -0.027862 Density= 0.106706 ETOT(band)= -0.116599 trlgG= -0.145498 logG= -0.027862 TDE= -0.170439 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002434 tlogG= -0.012086 logG= -0.014520 Density= 0.053567 ETOT(band)= -0.058536 trlgG= -0.073643 logG= -0.014520 TDE= -0.085631 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001495 tlogG= -0.007814 logG= -0.009308 Density= 0.035482 ETOT(band)= -0.038917 trlgG= -0.048617 logG= -0.009308 TDE= -0.056867 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004761 tlogG= -0.023508 logG= -0.028269 Density= 0.106742 ETOT(band)= -0.116791 trlgG= -0.145983 logG= -0.028269 TDE= -0.170535 logGD-logG0= -0.004374 tlogG= -0.023982 logG= -0.028356 Density= 0.106140 ETOT(band)= -0.117098 trlgG= -0.146703 logG= -0.028356 TDE= -0.170870 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.024054 logG= -0.028625 Density= 0.106357 ETOT(band)= -0.117131 trlgG= -0.146827 logG= -0.028625 TDE= -0.170833 logGD-logG0= -0.004979 tlogG= -0.022179 logG= -0.027158 Density= 0.108321 ETOT(band)= -0.115413 trlgG= -0.143990 logG= -0.027158 TDE= -0.170434 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001414 tlogG= -0.008047 logG= -0.009460 Density= 0.035304 ETOT(band)= -0.039068 trlgG= -0.048981 logG= -0.009460 TDE= -0.056990 logGD-logG0= -0.005024 tlogG= -0.023652 logG= -0.028676 logGD-logG0= -0.002642 tlogG= -0.011992 logG= -0.014634 Density= 0.106944 ETOT(band)= -0.116911 trlgG= -0.146326 logG= -0.028676 TDE= -0.170571 Density= 0.053963 ETOT(band)= -0.058409 trlgG= -0.073686 logG= -0.014634 TDE= -0.085756 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005178 tlogG= -0.023772 logG= -0.028950 Density= 0.108138 ETOT(band)= -0.116525 trlgG= -0.146856 logG= -0.028950 TDE= -0.171418 logGD-logG0= -0.005062 tlogG= -0.022466 logG= -0.027529 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108166 ETOT(band)= -0.115719 trlgG= -0.144597 logG= -0.027529 TDE= -0.170595 logGD-logG0= -0.002573 tlogG= -0.011988 logG= -0.014561 logGD-logG0= -0.004930 tlogG= -0.023902 logG= -0.028831 Density= 0.054118 ETOT(band)= -0.058288 trlgG= -0.073565 logG= -0.014561 TDE= -0.085784 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.024080 logG= -0.029386 Density= 0.106724 ETOT(band)= -0.117093 trlgG= -0.146939 logG= -0.028831 TDE= -0.170920 logGD-logG0= -0.005131 tlogG= -0.022991 logG= -0.028122 Density= 0.107605 ETOT(band)= -0.117051 trlgG= -0.147548 logG= -0.029386 TDE= -0.171409 Density= 0.108097 ETOT(band)= -0.116093 trlgG= -0.145545 logG= -0.028122 TDE= -0.170915 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004857 tlogG= -0.023697 logG= -0.028554 Density= 0.107343 ETOT(band)= -0.116704 trlgG= -0.146428 logG= -0.028554 TDE= -0.170993 logGD-logG0= -0.005329 tlogG= -0.023205 logG= -0.028534 Density= 0.107646 ETOT(band)= -0.116527 trlgG= -0.146181 logG= -0.028534 TDE= -0.170916 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023958 logG= -0.029124 logGD-logG0= -0.005155 tlogG= -0.023614 logG= -0.028769 logGD-logG0= -0.005021 tlogG= -0.024101 logG= -0.029122 Density= 0.108189 ETOT(band)= -0.116600 trlgG= -0.147135 logG= -0.029124 TDE= -0.171548 logGD-logG0= -0.005173 tlogG= -0.023439 logG= -0.028612 Density= 0.107343 ETOT(band)= -0.117015 trlgG= -0.147170 logG= -0.029122 TDE= -0.171167 logGD-logG0= -0.005339 tlogG= -0.023911 logG= -0.029250 Density= 0.107714 ETOT(band)= -0.116918 trlgG= -0.147333 logG= -0.029250 TDE= -0.171385 Density= 0.108092 ETOT(band)= -0.116363 trlgG= -0.146320 logG= -0.028612 TDE= -0.171197 logGD-logG0= -0.005317 tlogG= -0.024095 logG= -0.029412 Density= 0.108164 ETOT(band)= -0.116410 trlgG= -0.146565 logG= -0.028769 TDE= -0.171321 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107849 ETOT(band)= -0.116960 trlgG= -0.147612 logG= -0.029412 TDE= -0.171569 logGD-logG0= -0.001632 tlogG= -0.006995 logG= -0.008627 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004767 tlogG= -0.022860 logG= -0.027627 Density= 0.107264 ETOT(band)= -0.116217 trlgG= -0.145084 logG= -0.027627 TDE= -0.170537 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.023880 logG= -0.029032 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108209 ETOT(band)= -0.116536 trlgG= -0.146986 logG= -0.029032 TDE= -0.171501 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005349 tlogG= -0.024141 logG= -0.029491 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.022417 logG= -0.027455 Density= 0.107600 ETOT(band)= -0.115944 trlgG= -0.144474 logG= -0.027455 TDE= -0.170265 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107772 ETOT(band)= -0.117048 trlgG= -0.147737 logG= -0.029491 TDE= -0.171578 Density= 0.036183 ETOT(band)= -0.038121 trlgG= -0.047260 logG= -0.008627 TDE= -0.056539 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004735 tlogG= -0.022997 logG= -0.027733 Density= 0.106841 ETOT(band)= -0.116469 trlgG= -0.145235 logG= -0.027733 TDE= -0.170372 logGD-logG0= -0.004890 tlogG= -0.022858 logG= -0.027749 logGD-logG0= -0.005257 tlogG= -0.023975 logG= -0.029232 Density= 0.107407 ETOT(band)= -0.117037 trlgG= -0.147273 logG= -0.029232 TDE= -0.171192 Density= 0.107712 ETOT(band)= -0.116074 trlgG= -0.144960 logG= -0.027749 TDE= -0.170513 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005302 tlogG= -0.023878 logG= -0.029181 Density= 0.107877 ETOT(band)= -0.116786 trlgG= -0.147227 logG= -0.029181 TDE= -0.171429 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.024067 logG= -0.029358 logGD-logG0= -0.009839 tlogG= -0.048261 logG= -0.058099 Density= 0.107908 ETOT(band)= -0.116893 trlgG= -0.147524 logG= -0.029358 TDE= -0.171564 Density= 0.214331 ETOT(band)= -0.234111 trlgG= -0.294466 logG= -0.058099 TDE= -0.342428 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.045778 logG= -0.055302 Density= 0.214951 ETOT(band)= -0.232269 trlgG= -0.290072 logG= -0.055302 TDE= -0.341139 logGD-logG0= -0.005340 tlogG= -0.023588 logG= -0.028928 Density= 0.107762 ETOT(band)= -0.116690 trlgG= -0.146811 logG= -0.028928 TDE= -0.171210 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.047176 logG= -0.056880 Density= 0.213702 ETOT(band)= -0.233701 trlgG= -0.292886 logG= -0.056880 TDE= -0.341756 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009803 tlogG= -0.045607 logG= -0.055411 logGD-logG0= -0.009984 tlogG= -0.047917 logG= -0.057901 Density= 0.213901 ETOT(band)= -0.234148 trlgG= -0.294152 logG= -0.057901 TDE= -0.342100 Density= 0.214299 ETOT(band)= -0.232617 trlgG= -0.290248 logG= -0.055411 TDE= -0.340883 logGD-logG0= -0.009863 tlogG= -0.047173 logG= -0.057036 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213713 ETOT(band)= -0.233746 trlgG= -0.292679 logG= -0.057036 TDE= -0.341398 logGD-logG0= -0.002476 tlogG= -0.010845 logG= -0.013321 logGD-logG0= -0.010560 tlogG= -0.047765 logG= -0.058325 logGD-logG0= -0.009590 tlogG= -0.047949 logG= -0.057538 Density= 0.054045 ETOT(band)= -0.057581 trlgG= -0.071558 logG= -0.013321 TDE= -0.084982 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214685 ETOT(band)= -0.234036 trlgG= -0.294299 logG= -0.058325 TDE= -0.342211 Density= 0.213208 ETOT(band)= -0.234209 trlgG= -0.293601 logG= -0.057538 TDE= -0.341569 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.021574 logG= -0.026502 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108476 ETOT(band)= -0.114863 trlgG= -0.142861 logG= -0.026502 TDE= -0.170039 logGD-logG0= -0.002415 tlogG= -0.010431 logG= -0.012846 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009908 tlogG= -0.045667 logG= -0.055575 logGD-logG0= -0.010516 tlogG= -0.048099 logG= -0.058615 logGD-logG0= -0.010597 tlogG= -0.048033 logG= -0.058630 logGD-logG0= -0.010364 tlogG= -0.047998 logG= -0.058362 Density= 0.215000 ETOT(band)= -0.233946 trlgG= -0.294395 logG= -0.058362 TDE= -0.342426 Density= 0.214998 ETOT(band)= -0.234091 trlgG= -0.294811 logG= -0.058615 TDE= -0.342588 Density= 0.215034 ETOT(band)= -0.234082 trlgG= -0.294838 logG= -0.058630 TDE= -0.342618 logGD-logG0= -0.001699 tlogG= -0.007307 logG= -0.009006 Density= 0.035833 ETOT(band)= -0.038569 trlgG= -0.047920 logG= -0.009006 TDE= -0.056646 Density= 0.215082 ETOT(band)= -0.232345 trlgG= -0.290065 logG= -0.055575 TDE= -0.340922 logGD-logG0= -0.010425 tlogG= -0.047805 logG= -0.058229 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214585 ETOT(band)= -0.234030 trlgG= -0.294130 logG= -0.058229 TDE= -0.342088 logGD-logG0= -0.010224 tlogG= -0.047678 logG= -0.057902 Density= 0.213882 ETOT(band)= -0.234135 trlgG= -0.293905 logG= -0.057902 TDE= -0.341842 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009161 tlogG= -0.047648 logG= -0.056809 logGD-logG0= -0.009477 tlogG= -0.047464 logG= -0.056941 Density= 0.214244 ETOT(band)= -0.233533 trlgG= -0.293018 logG= -0.056941 TDE= -0.342096 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.020999 logG= -0.025846 Density= 0.108672 ETOT(band)= -0.114275 trlgG= -0.141705 logG= -0.025846 TDE= -0.169635 logGD-logG0= -0.010655 tlogG= -0.047546 logG= -0.058200 Density= 0.215625 ETOT(band)= -0.233539 trlgG= -0.294185 logG= -0.058200 TDE= -0.342687 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010450 tlogG= -0.047327 logG= -0.057778 Density= 0.214193 ETOT(band)= -0.233928 trlgG= -0.293381 logG= -0.057778 TDE= -0.341596 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212865 ETOT(band)= -0.233997 trlgG= -0.292956 logG= -0.056809 TDE= -0.341484 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054359 ETOT(band)= -0.057064 trlgG= -0.070713 logG= -0.012846 TDE= -0.084766 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.048046 logG= -0.058154 Density= 0.214461 ETOT(band)= -0.234058 trlgG= -0.294216 logG= -0.058154 TDE= -0.342187 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010581 tlogG= -0.047958 logG= -0.058539 Density= 0.215820 ETOT(band)= -0.233656 trlgG= -0.294748 logG= -0.058539 TDE= -0.343008 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010221 tlogG= -0.046431 logG= -0.056652 Density= 0.215145 ETOT(band)= -0.232909 trlgG= -0.291698 logG= -0.056652 TDE= -0.341510 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.047441 logG= -0.058059 Density= 0.215394 ETOT(band)= -0.233579 trlgG= -0.293944 logG= -0.058059 TDE= -0.342472 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010709 tlogG= -0.048164 logG= -0.058874 Density= 0.215349 ETOT(band)= -0.234109 trlgG= -0.295277 logG= -0.058874 TDE= -0.342968 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009832 tlogG= -0.047242 logG= -0.057074 Density= 0.214409 ETOT(band)= -0.233495 trlgG= -0.292793 logG= -0.057074 TDE= -0.341819 logGD-logG0= -0.010660 tlogG= -0.046898 logG= -0.057559 logGD-logG0= -0.010635 tlogG= -0.047907 logG= -0.058542 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215357 ETOT(band)= -0.233302 trlgG= -0.293143 logG= -0.057559 TDE= -0.342153 Density= 0.215692 ETOT(band)= -0.233728 trlgG= -0.294750 logG= -0.058542 TDE= -0.342943 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005015 tlogG= -0.021884 logG= -0.026899 Density= 0.108286 ETOT(band)= -0.115229 trlgG= -0.143541 logG= -0.026899 TDE= -0.170227 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010133 tlogG= -0.047171 logG= -0.057304 Density= 0.215079 ETOT(band)= -0.233311 trlgG= -0.292716 logG= -0.057304 TDE= -0.341844 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.021826 logG= -0.026921 Density= 0.107755 ETOT(band)= -0.115516 trlgG= -0.143600 logG= -0.026921 TDE= -0.170001 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021703 logG= -0.026739 Density= 0.107897 ETOT(band)= -0.115324 trlgG= -0.143291 logG= -0.026739 TDE= -0.169945 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010065 tlogG= -0.043407 logG= -0.053472 Density= 0.216206 ETOT(band)= -0.230439 trlgG= -0.286559 logG= -0.053472 TDE= -0.340076 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001264 tlogG= -0.005750 logG= -0.007014 Density= 0.080610 ETOT(band)= -0.087385 trlgG= -0.109640 logG= -0.007014 TDE= -0.042739 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.023965 logG= -0.029065 Density= 0.214271 ETOT(band)= -0.234062 trlgG= -0.293988 logG= -0.029065 TDE= -0.171032 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005230 tlogG= -0.023424 logG= -0.028654 Density= 0.216122 ETOT(band)= -0.232629 trlgG= -0.292284 logG= -0.028654 TDE= -0.171157 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.022977 logG= -0.028179 Density= 0.216151 ETOT(band)= -0.232055 trlgG= -0.290668 logG= -0.028179 TDE= -0.170870 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004804 tlogG= -0.023253 logG= -0.028057 Density= 0.213437 ETOT(band)= -0.233577 trlgG= -0.292296 logG= -0.028057 TDE= -0.170713 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004673 tlogG= -0.023379 logG= -0.028052 Density= 0.214118 ETOT(band)= -0.233338 trlgG= -0.292411 logG= -0.028052 TDE= -0.170877 logGD-logG0= -0.005191 tlogG= -0.023204 logG= -0.028394 Density= 0.214799 ETOT(band)= -0.232922 trlgG= -0.291295 logG= -0.028394 TDE= -0.170587 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001243 tlogG= -0.005622 logG= -0.006865 Density= 0.080811 ETOT(band)= -0.086956 trlgG= -0.108637 logG= -0.006865 TDE= -0.042662 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004761 tlogG= -0.024015 logG= -0.028776 Density= 0.214053 ETOT(band)= -0.234052 trlgG= -0.294206 logG= -0.028776 TDE= -0.171199 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004321 tlogG= -0.024139 logG= -0.028460 Density= 0.212115 ETOT(band)= -0.234333 trlgG= -0.293756 logG= -0.028460 TDE= -0.170947 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004454 tlogG= -0.023748 logG= -0.028202 Density= 0.213028 ETOT(band)= -0.233546 trlgG= -0.291835 logG= -0.028202 TDE= -0.170749 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005858 logG= -0.007136 Density= 0.080621 ETOT(band)= -0.087601 trlgG= -0.110196 logG= -0.007136 TDE= -0.042804 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023898 logG= -0.028523 logGD-logG0= -0.001282 tlogG= -0.005986 logG= -0.007268 logGD-logG0= -0.001283 tlogG= -0.005941 logG= -0.007224 Density= 0.080804 ETOT(band)= -0.087636 trlgG= -0.110393 logG= -0.007224 TDE= -0.042858 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213220 ETOT(band)= -0.233824 trlgG= -0.292568 logG= -0.028523 TDE= -0.170753 Density= 0.081032 ETOT(band)= -0.087540 trlgG= -0.110447 logG= -0.007268 TDE= -0.042888 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004599 tlogG= -0.023981 logG= -0.028579 logGD-logG0= -0.005140 tlogG= -0.022448 logG= -0.027588 Density= 0.216297 ETOT(band)= -0.231256 trlgG= -0.288682 logG= -0.027588 TDE= -0.170536 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212747 ETOT(band)= -0.234233 trlgG= -0.293561 logG= -0.028579 TDE= -0.170801 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.023891 logG= -0.028829 Density= 0.213722 ETOT(band)= -0.233975 trlgG= -0.293078 logG= -0.028829 TDE= -0.170761 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.024009 logG= -0.029257 Density= 0.215611 ETOT(band)= -0.233828 trlgG= -0.294904 logG= -0.029257 TDE= -0.171546 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.023844 logG= -0.028701 Density= 0.213508 ETOT(band)= -0.234112 trlgG= -0.293815 logG= -0.028701 TDE= -0.171017 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.007968 logG= -0.009408 Density= 0.070848 ETOT(band)= -0.077936 trlgG= -0.097476 logG= -0.009408 TDE= -0.056952 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005281 tlogG= -0.023808 logG= -0.029089 Density= 0.215260 ETOT(band)= -0.233733 trlgG= -0.294249 logG= -0.029089 TDE= -0.171393 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005457 tlogG= -0.023364 logG= -0.028821 Density= 0.215036 ETOT(band)= -0.233323 trlgG= -0.292791 logG= -0.028821 TDE= -0.170930 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023492 logG= -0.028765 Density= 0.215143 ETOT(band)= -0.233297 trlgG= -0.292985 logG= -0.028765 TDE= -0.171136 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.023854 logG= -0.028951 Density= 0.215421 ETOT(band)= -0.233729 trlgG= -0.294352 logG= -0.028951 TDE= -0.171081 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.024014 logG= -0.028808 Density= 0.321462 ETOT(band)= -0.351059 trlgG= -0.441455 logG= -0.028808 TDE= -0.171194 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.024008 logG= -0.029219 logGD-logG0= -0.001589 tlogG= -0.006877 logG= -0.008466 Density= 0.040834 ETOT(band)= -0.042668 trlgG= -0.052813 logG= -0.008466 TDE= -0.056453 Density= 0.216277 ETOT(band)= -0.233312 trlgG= -0.294429 logG= -0.029219 TDE= -0.171563 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005341 tlogG= -0.024130 logG= -0.029471 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215643 ETOT(band)= -0.233985 trlgG= -0.295319 logG= -0.029471 TDE= -0.171578 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010451 tlogG= -0.047803 logG= -0.058254 Density= 0.324235 ETOT(band)= -0.349872 trlgG= -0.441141 logG= -0.058254 TDE= -0.342966 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005224 tlogG= -0.023770 logG= -0.028994 logGD-logG0= -0.005066 tlogG= -0.024171 logG= -0.029237 Density= 0.322332 ETOT(band)= -0.351176 trlgG= -0.442134 logG= -0.029237 TDE= -0.171200 Density= 0.216201 ETOT(band)= -0.233009 trlgG= -0.293492 logG= -0.028994 TDE= -0.171395 logGD-logG0= -0.005204 tlogG= -0.023965 logG= -0.029169 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.048058 logG= -0.058793 Density= 0.323135 ETOT(band)= -0.350942 trlgG= -0.442482 logG= -0.058793 TDE= -0.342958 Density= 0.216311 ETOT(band)= -0.233208 trlgG= -0.294197 logG= -0.029169 TDE= -0.171536 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010219 tlogG= -0.045648 logG= -0.055867 Density= 0.323936 ETOT(band)= -0.347901 trlgG= -0.435085 logG= -0.055867 TDE= -0.341394 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005389 tlogG= -0.023906 logG= -0.029295 Density= 0.215571 ETOT(band)= -0.233731 trlgG= -0.294631 logG= -0.029295 TDE= -0.171401 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001192 tlogG= -0.005173 logG= -0.006366 Density= 0.062522 ETOT(band)= -0.067534 trlgG= -0.084230 logG= -0.006366 TDE= -0.042352 logGD-logG0= -0.004989 tlogG= -0.022914 logG= -0.027903 Density= 0.214731 ETOT(band)= -0.232366 trlgG= -0.289764 logG= -0.027903 TDE= -0.170401 logGD-logG0= -0.005040 tlogG= -0.024165 logG= -0.029205 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005271 tlogG= -0.024093 logG= -0.029364 Density= 0.214670 ETOT(band)= -0.234136 trlgG= -0.294605 logG= -0.029205 TDE= -0.171205 logGD-logG0= -0.010494 tlogG= -0.046432 logG= -0.056926 logGD-logG0= -0.005051 tlogG= -0.023253 logG= -0.028305 Density= 0.322950 ETOT(band)= -0.351150 trlgG= -0.442785 logG= -0.029364 TDE= -0.171391 Density= 0.321599 ETOT(band)= -0.350517 trlgG= -0.439728 logG= -0.028305 TDE= -0.170823 Density= 0.323885 ETOT(band)= -0.348847 trlgG= -0.437705 logG= -0.056926 TDE= -0.342018 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001700 tlogG= -0.007120 logG= -0.008820 Density= 0.072206 ETOT(band)= -0.076470 trlgG= -0.094868 logG= -0.008820 TDE= -0.056613 logGD-logG0= -0.004510 tlogG= -0.023594 logG= -0.028104 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212561 ETOT(band)= -0.233953 trlgG= -0.292809 logG= -0.028104 TDE= -0.170664 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005470 logG= -0.006700 logGD-logG0= -0.009726 tlogG= -0.046622 logG= -0.056348 Density= 0.081173 ETOT(band)= -0.086344 trlgG= -0.107400 logG= -0.006700 TDE= -0.042565 Density= 0.322602 ETOT(band)= -0.348966 trlgG= -0.436519 logG= -0.056348 TDE= -0.341548 logGD-logG0= -0.005374 tlogG= -0.023965 logG= -0.029339 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001579 tlogG= -0.007591 logG= -0.009170 Density= 0.071476 ETOT(band)= -0.077336 trlgG= -0.096179 logG= -0.009170 TDE= -0.056727 Density= 0.323547 ETOT(band)= -0.350616 trlgG= -0.442228 logG= -0.029339 TDE= -0.171450 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005437 tlogG= -0.023692 logG= -0.029129 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215334 ETOT(band)= -0.233582 trlgG= -0.293932 logG= -0.029129 TDE= -0.171224 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009684 tlogG= -0.047856 logG= -0.057540 logGD-logG0= -0.004705 tlogG= -0.023376 logG= -0.028081 logGD-logG0= -0.010497 tlogG= -0.047252 logG= -0.057749 Density= 0.324019 ETOT(band)= -0.349504 trlgG= -0.439792 logG= -0.057749 TDE= -0.342575 Density= 0.321535 ETOT(band)= -0.350009 trlgG= -0.438876 logG= -0.028081 TDE= -0.170869 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427902 ETOT(band)= -0.468088 trlgG= -0.587997 logG= -0.057540 TDE= -0.342203 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009491 tlogG= -0.046730 logG= -0.056220 Density= 0.427767 ETOT(band)= -0.466057 trlgG= -0.581990 logG= -0.056220 TDE= -0.341157 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010188 tlogG= -0.048165 logG= -0.058353 Density= 0.429158 ETOT(band)= -0.468205 trlgG= -0.588771 logG= -0.058353 TDE= -0.342250 logGD-logG0= -0.010297 tlogG= -0.047685 logG= -0.057983 Density= 0.428154 ETOT(band)= -0.468073 trlgG= -0.587329 logG= -0.057983 TDE= -0.341844 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009546 tlogG= -0.046624 logG= -0.056170 Density= 0.427967 ETOT(band)= -0.466781 trlgG= -0.584600 logG= -0.056170 TDE= -0.341573 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010321 tlogG= -0.048239 logG= -0.058560 Density= 0.429891 ETOT(band)= -0.468212 trlgG= -0.589538 logG= -0.058560 TDE= -0.342462 logGD-logG0= -0.010356 tlogG= -0.047974 logG= -0.058330 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429062 ETOT(band)= -0.468167 trlgG= -0.588414 logG= -0.058330 TDE= -0.342088 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010803 tlogG= -0.047709 logG= -0.058513 Density= 0.430942 ETOT(band)= -0.467411 trlgG= -0.588859 logG= -0.058513 TDE= -0.342711 logGD-logG0= -0.009645 tlogG= -0.047787 logG= -0.057432 Density= 0.427046 ETOT(band)= -0.467847 trlgG= -0.585978 logG= -0.057432 TDE= -0.341436 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009691 tlogG= -0.047668 logG= -0.057359 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426544 ETOT(band)= -0.468296 trlgG= -0.587125 logG= -0.057359 TDE= -0.341734 logGD-logG0= -0.010531 tlogG= -0.048089 logG= -0.058619 Density= 0.429997 ETOT(band)= -0.468042 trlgG= -0.589211 logG= -0.058619 TDE= -0.342587 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.047747 logG= -0.058446 Density= 0.430603 ETOT(band)= -0.467467 trlgG= -0.588499 logG= -0.058446 TDE= -0.342604 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009975 tlogG= -0.046417 logG= -0.056392 Density= 0.429397 ETOT(band)= -0.465492 trlgG= -0.581672 logG= -0.056392 TDE= -0.341269 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009860 tlogG= -0.047871 logG= -0.057730 Density= 0.428995 ETOT(band)= -0.467868 trlgG= -0.587975 logG= -0.057730 TDE= -0.342191 logGD-logG0= -0.004816 tlogG= -0.022335 logG= -0.027152 logGD-logG0= -0.004929 tlogG= -0.021311 logG= -0.026240 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214962 ETOT(band)= -0.231919 trlgG= -0.289165 logG= -0.027152 TDE= -0.170223 Density= 0.162592 ETOT(band)= -0.172965 trlgG= -0.215977 logG= -0.026240 TDE= -0.169851 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010359 tlogG= -0.046948 logG= -0.057307 Density= 0.429739 ETOT(band)= -0.466412 trlgG= -0.584369 logG= -0.057307 TDE= -0.341556 logGD-logG0= -0.010040 tlogG= -0.047576 logG= -0.057616 Density= 0.428471 ETOT(band)= -0.467417 trlgG= -0.586370 logG= -0.057616 TDE= -0.341889 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004857 tlogG= -0.022336 logG= -0.027193 Density= 0.322771 ETOT(band)= -0.347933 trlgG= -0.434127 logG= -0.027193 TDE= -0.170217 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010728 tlogG= -0.048034 logG= -0.058762 Density= 0.431181 ETOT(band)= -0.467694 trlgG= -0.589853 logG= -0.058762 TDE= -0.342976 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009000 tlogG= -0.048112 logG= -0.057112 Density= 0.425414 ETOT(band)= -0.468263 trlgG= -0.586606 logG= -0.057112 TDE= -0.341718 logGD-logG0= -0.005102 tlogG= -0.021889 logG= -0.026990 Density= 0.216553 ETOT(band)= -0.230258 trlgG= -0.286565 logG= -0.026990 TDE= -0.170196 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010758 tlogG= -0.047286 logG= -0.058044 Density= 0.430335 ETOT(band)= -0.467041 trlgG= -0.587025 logG= -0.058044 TDE= -0.342221 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001211 tlogG= -0.005309 logG= -0.006520 Density= 0.081530 ETOT(band)= -0.085677 trlgG= -0.106241 logG= -0.006520 TDE= -0.042454 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005012 tlogG= -0.021360 logG= -0.026372 Density= 0.216946 ETOT(band)= -0.229150 trlgG= -0.284361 logG= -0.026372 TDE= -0.169864 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010011 tlogG= -0.044640 logG= -0.054651 Density= 0.324179 ETOT(band)= -0.346631 trlgG= -0.432074 logG= -0.054651 TDE= -0.340717 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010283 tlogG= -0.047588 logG= -0.057871 Density= 0.429866 ETOT(band)= -0.467060 trlgG= -0.586300 logG= -0.057871 TDE= -0.342001 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022301 logG= -0.027270 Density= 0.214198 ETOT(band)= -0.232405 trlgG= -0.289515 logG= -0.027270 TDE= -0.170136 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004938 tlogG= -0.022481 logG= -0.027420 Density= 0.214958 ETOT(band)= -0.231630 trlgG= -0.288119 logG= -0.027420 TDE= -0.170149 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.021215 logG= -0.026186 Density= 0.216275 ETOT(band)= -0.230009 trlgG= -0.285616 logG= -0.026186 TDE= -0.169771 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009860 tlogG= -0.044642 logG= -0.054502 Density= 0.431469 ETOT(band)= -0.462021 trlgG= -0.574892 logG= -0.054502 TDE= -0.340354 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.776127879118 eV TrLogG= -407.328589475837 eV Ratio to renormalize= 1.000356219491 rho-rho_expected=-0.007834038155 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964588185595256 0.940273254060082 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002339 tlogG= -0.011888 logG= -0.014226 Density= 0.053545 ETOT(band)= -0.058391 trlgG= -0.073281 logG= -0.014226 TDE= -0.085551 logGD-logG0= -0.002434 tlogG= -0.012086 logG= -0.014520 Density= 0.053566 ETOT(band)= -0.058535 trlgG= -0.073643 logG= -0.014520 TDE= -0.085630 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.012036 logG= -0.014653 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053744 ETOT(band)= -0.058525 trlgG= -0.073700 logG= -0.014653 TDE= -0.085643 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001495 tlogG= -0.007814 logG= -0.009308 logGD-logG0= -0.001414 tlogG= -0.008047 logG= -0.009460 Density= 0.035482 ETOT(band)= -0.038917 trlgG= -0.048617 logG= -0.009308 TDE= -0.056867 Density= 0.035304 ETOT(band)= -0.039068 trlgG= -0.048981 logG= -0.009460 TDE= -0.056990 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002346 tlogG= -0.011452 logG= -0.013798 Density= 0.053720 ETOT(band)= -0.058060 trlgG= -0.072516 logG= -0.013798 TDE= -0.085302 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004348 tlogG= -0.024059 logG= -0.028407 Density= 0.106088 ETOT(band)= -0.117141 trlgG= -0.146816 logG= -0.028407 TDE= -0.170907 logGD-logG0= -0.004374 tlogG= -0.023982 logG= -0.028356 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005062 tlogG= -0.022466 logG= -0.027529 Density= 0.106140 ETOT(band)= -0.117097 trlgG= -0.146703 logG= -0.028356 TDE= -0.170870 Density= 0.108166 ETOT(band)= -0.115719 trlgG= -0.144597 logG= -0.027529 TDE= -0.170594 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002573 tlogG= -0.011988 logG= -0.014561 logGD-logG0= -0.005173 tlogG= -0.023439 logG= -0.028612 Density= 0.054118 ETOT(band)= -0.058288 trlgG= -0.073565 logG= -0.014561 TDE= -0.085784 Density= 0.108092 ETOT(band)= -0.116363 trlgG= -0.146320 logG= -0.028612 TDE= -0.171197 logGD-logG0= -0.005178 tlogG= -0.023772 logG= -0.028950 Density= 0.108138 ETOT(band)= -0.116525 trlgG= -0.146856 logG= -0.028950 TDE= -0.171418 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005307 tlogG= -0.024080 logG= -0.029387 Density= 0.107605 ETOT(band)= -0.117051 trlgG= -0.147547 logG= -0.029387 TDE= -0.171409 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.022417 logG= -0.027455 logGD-logG0= -0.004735 tlogG= -0.022997 logG= -0.027733 Density= 0.106841 ETOT(band)= -0.116468 trlgG= -0.145234 logG= -0.027733 TDE= -0.170372 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107600 ETOT(band)= -0.115944 trlgG= -0.144474 logG= -0.027455 TDE= -0.170265 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004571 tlogG= -0.024054 logG= -0.028625 logGD-logG0= -0.005165 tlogG= -0.023958 logG= -0.029124 Density= 0.106357 ETOT(band)= -0.117131 trlgG= -0.146827 logG= -0.028625 TDE= -0.170833 logGD-logG0= -0.004761 tlogG= -0.023508 logG= -0.028269 Density= 0.106741 ETOT(band)= -0.116791 trlgG= -0.145983 logG= -0.028269 TDE= -0.170535 Density= 0.108189 ETOT(band)= -0.116600 trlgG= -0.147134 logG= -0.029124 TDE= -0.171548 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005131 tlogG= -0.022991 logG= -0.028122 Density= 0.108097 ETOT(band)= -0.116092 trlgG= -0.145545 logG= -0.028122 TDE= -0.170914 logGD-logG0= -0.004890 tlogG= -0.022858 logG= -0.027749 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.024101 logG= -0.029122 Density= 0.107712 ETOT(band)= -0.116074 trlgG= -0.144960 logG= -0.027749 TDE= -0.170512 logGD-logG0= -0.005152 tlogG= -0.023880 logG= -0.029032 logGD-logG0= -0.005314 tlogG= -0.023692 logG= -0.029006 Density= 0.107343 ETOT(band)= -0.117015 trlgG= -0.147170 logG= -0.029122 TDE= -0.171167 Density= 0.108209 ETOT(band)= -0.116536 trlgG= -0.146985 logG= -0.029032 TDE= -0.171500 logGD-logG0= -0.005317 tlogG= -0.024095 logG= -0.029412 logGD-logG0= -0.005155 tlogG= -0.023614 logG= -0.028769 Density= 0.108164 ETOT(band)= -0.116410 trlgG= -0.146564 logG= -0.028769 TDE= -0.171321 logGD-logG0= -0.005350 tlogG= -0.024141 logG= -0.029491 Density= 0.107849 ETOT(band)= -0.116960 trlgG= -0.147612 logG= -0.029412 TDE= -0.171569 logGD-logG0= -0.002642 tlogG= -0.011992 logG= -0.014634 Density= 0.053963 ETOT(band)= -0.058409 trlgG= -0.073685 logG= -0.014634 TDE= -0.085756 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107772 ETOT(band)= -0.117047 trlgG= -0.147737 logG= -0.029491 TDE= -0.171577 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005124 tlogG= -0.023224 logG= -0.028348 Density= 0.108155 ETOT(band)= -0.116186 trlgG= -0.145901 logG= -0.028348 TDE= -0.171073 Density= 0.107196 ETOT(band)= -0.116983 trlgG= -0.146877 logG= -0.029006 TDE= -0.170916 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.023652 logG= -0.028676 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106944 ETOT(band)= -0.116911 trlgG= -0.146326 logG= -0.028676 TDE= -0.170571 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.023911 logG= -0.029250 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107713 ETOT(band)= -0.116918 trlgG= -0.147332 logG= -0.029250 TDE= -0.171384 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023677 logG= -0.028383 Density= 0.106567 ETOT(band)= -0.116937 trlgG= -0.146410 logG= -0.028383 TDE= -0.170762 logGD-logG0= -0.004649 tlogG= -0.023213 logG= -0.027862 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005137 tlogG= -0.022884 logG= -0.028022 Density= 0.107581 ETOT(band)= -0.116278 trlgG= -0.145371 logG= -0.028022 TDE= -0.170586 logGD-logG0= -0.005257 tlogG= -0.023975 logG= -0.029232 logGD-logG0= -0.004857 tlogG= -0.023697 logG= -0.028554 Density= 0.107343 ETOT(band)= -0.116704 trlgG= -0.146428 logG= -0.028554 TDE= -0.170992 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107407 ETOT(band)= -0.117037 trlgG= -0.147273 logG= -0.029232 TDE= -0.171191 logGD-logG0= -0.004735 tlogG= -0.023695 logG= -0.028430 Density= 0.106943 ETOT(band)= -0.116821 trlgG= -0.146517 logG= -0.028430 TDE= -0.171007 Density= 0.106706 ETOT(band)= -0.116599 trlgG= -0.145497 logG= -0.027862 TDE= -0.170439 logGD-logG0= -0.004980 tlogG= -0.022179 logG= -0.027158 Density= 0.108321 ETOT(band)= -0.115413 trlgG= -0.143989 logG= -0.027158 TDE= -0.170434 logGD-logG0= -0.004930 tlogG= -0.023902 logG= -0.028832 Density= 0.106724 ETOT(band)= -0.117093 trlgG= -0.146939 logG= -0.028832 TDE= -0.170919 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005058 tlogG= -0.022743 logG= -0.027801 Density= 0.108210 ETOT(band)= -0.115856 trlgG= -0.145033 logG= -0.027801 TDE= -0.170780 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.024077 logG= -0.028985 Density= 0.107021 ETOT(band)= -0.117075 trlgG= -0.147195 logG= -0.028985 TDE= -0.171169 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005303 tlogG= -0.023878 logG= -0.029181 Density= 0.107877 ETOT(band)= -0.116786 trlgG= -0.147227 logG= -0.029181 TDE= -0.171429 logGD-logG0= -0.004767 tlogG= -0.022860 logG= -0.027627 Density= 0.107264 ETOT(band)= -0.116216 trlgG= -0.145084 logG= -0.027627 TDE= -0.170536 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007307 logG= -0.009006 Density= 0.035833 ETOT(band)= -0.038569 trlgG= -0.047920 logG= -0.009006 TDE= -0.056646 logGD-logG0= -0.005329 tlogG= -0.023205 logG= -0.028534 Density= 0.107646 ETOT(band)= -0.116527 trlgG= -0.146181 logG= -0.028534 TDE= -0.170916 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005340 tlogG= -0.023588 logG= -0.028928 Density= 0.107762 ETOT(band)= -0.116689 trlgG= -0.146811 logG= -0.028928 TDE= -0.171210 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009839 tlogG= -0.048261 logG= -0.058099 Density= 0.214331 ETOT(band)= -0.234110 trlgG= -0.294465 logG= -0.058099 TDE= -0.342427 logGD-logG0= -0.001632 tlogG= -0.006995 logG= -0.008627 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.045777 logG= -0.055302 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214950 ETOT(band)= -0.232268 trlgG= -0.290071 logG= -0.055302 TDE= -0.341138 Density= 0.036183 ETOT(band)= -0.038121 trlgG= -0.047260 logG= -0.008627 TDE= -0.056538 logGD-logG0= -0.009704 tlogG= -0.047176 logG= -0.056880 logGD-logG0= -0.005292 tlogG= -0.024067 logG= -0.029358 Density= 0.107908 ETOT(band)= -0.116892 trlgG= -0.147523 logG= -0.029358 TDE= -0.171564 Density= 0.213702 ETOT(band)= -0.233700 trlgG= -0.292885 logG= -0.056880 TDE= -0.341756 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009804 tlogG= -0.045607 logG= -0.055411 Density= 0.214299 ETOT(band)= -0.232616 trlgG= -0.290247 logG= -0.055411 TDE= -0.340882 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009590 tlogG= -0.047948 logG= -0.057539 Density= 0.213208 ETOT(band)= -0.234208 trlgG= -0.293600 logG= -0.057539 TDE= -0.341568 logGD-logG0= -0.010561 tlogG= -0.047765 logG= -0.058325 Density= 0.214685 ETOT(band)= -0.234036 trlgG= -0.294299 logG= -0.058325 TDE= -0.342210 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009161 tlogG= -0.047648 logG= -0.056809 Density= 0.212865 ETOT(band)= -0.233996 trlgG= -0.292956 logG= -0.056809 TDE= -0.341483 logGD-logG0= -0.009984 tlogG= -0.047917 logG= -0.057901 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213901 ETOT(band)= -0.234147 trlgG= -0.294152 logG= -0.057901 TDE= -0.342099 logGD-logG0= -0.009864 tlogG= -0.047173 logG= -0.057036 Density= 0.213712 ETOT(band)= -0.233745 trlgG= -0.292678 logG= -0.057036 TDE= -0.341397 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010597 tlogG= -0.048033 logG= -0.058630 Density= 0.215034 ETOT(band)= -0.234082 trlgG= -0.294838 logG= -0.058630 TDE= -0.342617 logGD-logG0= -0.009477 tlogG= -0.047464 logG= -0.056941 logGD-logG0= -0.010516 tlogG= -0.048099 logG= -0.058615 Density= 0.214997 ETOT(band)= -0.234090 trlgG= -0.294811 logG= -0.058615 TDE= -0.342587 Density= 0.214244 ETOT(band)= -0.233533 trlgG= -0.293018 logG= -0.056941 TDE= -0.342095 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010108 tlogG= -0.048046 logG= -0.058154 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214461 ETOT(band)= -0.234058 trlgG= -0.294215 logG= -0.058154 TDE= -0.342187 logGD-logG0= -0.010425 tlogG= -0.047804 logG= -0.058229 logGD-logG0= -0.010364 tlogG= -0.047998 logG= -0.058362 Density= 0.215000 ETOT(band)= -0.233945 trlgG= -0.294394 logG= -0.058362 TDE= -0.342425 Density= 0.214585 ETOT(band)= -0.234029 trlgG= -0.294129 logG= -0.058229 TDE= -0.342087 logGD-logG0= -0.010224 tlogG= -0.047678 logG= -0.057902 Density= 0.213881 ETOT(band)= -0.234134 trlgG= -0.293904 logG= -0.057902 TDE= -0.341841 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009908 tlogG= -0.045667 logG= -0.055576 Density= 0.215081 ETOT(band)= -0.232345 trlgG= -0.290064 logG= -0.055576 TDE= -0.340922 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010450 tlogG= -0.047327 logG= -0.057778 Density= 0.214193 ETOT(band)= -0.233928 trlgG= -0.293380 logG= -0.057778 TDE= -0.341595 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.047958 logG= -0.058539 Density= 0.215820 ETOT(band)= -0.233656 trlgG= -0.294748 logG= -0.058539 TDE= -0.343007 logGD-logG0= -0.010710 tlogG= -0.048164 logG= -0.058874 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215348 ETOT(band)= -0.234108 trlgG= -0.295276 logG= -0.058874 TDE= -0.342967 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010618 tlogG= -0.047441 logG= -0.058059 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215393 ETOT(band)= -0.233578 trlgG= -0.293943 logG= -0.058059 TDE= -0.342471 logGD-logG0= -0.010655 tlogG= -0.047545 logG= -0.058200 Density= 0.215625 ETOT(band)= -0.233539 trlgG= -0.294184 logG= -0.058200 TDE= -0.342686 logGD-logG0= -0.004929 tlogG= -0.021574 logG= -0.026502 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002476 tlogG= -0.010845 logG= -0.013321 logGD-logG0= -0.010635 tlogG= -0.047907 logG= -0.058542 logGD-logG0= -0.010222 tlogG= -0.046431 logG= -0.056652 Density= 0.215145 ETOT(band)= -0.232909 trlgG= -0.291697 logG= -0.056652 TDE= -0.341510 Density= 0.215692 ETOT(band)= -0.233728 trlgG= -0.294749 logG= -0.058542 TDE= -0.342942 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054045 ETOT(band)= -0.057581 trlgG= -0.071558 logG= -0.013321 TDE= -0.084981 Density= 0.108476 ETOT(band)= -0.114863 trlgG= -0.142861 logG= -0.026502 TDE= -0.170038 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009832 tlogG= -0.047242 logG= -0.057074 Density= 0.214408 ETOT(band)= -0.233495 trlgG= -0.292792 logG= -0.057074 TDE= -0.341818 logGD-logG0= -0.004848 tlogG= -0.020998 logG= -0.025846 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010134 tlogG= -0.047171 logG= -0.057304 Density= 0.215079 ETOT(band)= -0.233311 trlgG= -0.292715 logG= -0.057304 TDE= -0.341843 Density= 0.108672 ETOT(band)= -0.114275 trlgG= -0.141705 logG= -0.025846 TDE= -0.169635 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010661 tlogG= -0.046898 logG= -0.057559 Density= 0.215356 ETOT(band)= -0.233301 trlgG= -0.293142 logG= -0.057559 TDE= -0.342152 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005095 tlogG= -0.021826 logG= -0.026921 Density= 0.107754 ETOT(band)= -0.115516 trlgG= -0.143599 logG= -0.026921 TDE= -0.170000 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002415 tlogG= -0.010431 logG= -0.012846 Density= 0.054359 ETOT(band)= -0.057064 trlgG= -0.070713 logG= -0.012846 TDE= -0.084766 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005015 tlogG= -0.021884 logG= -0.026899 Density= 0.108286 ETOT(band)= -0.115229 trlgG= -0.143540 logG= -0.026899 TDE= -0.170227 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021703 logG= -0.026739 Density= 0.107897 ETOT(band)= -0.115324 trlgG= -0.143290 logG= -0.026739 TDE= -0.169944 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010065 tlogG= -0.043407 logG= -0.053473 Density= 0.216206 ETOT(band)= -0.230438 trlgG= -0.286558 logG= -0.053473 TDE= -0.340075 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001440 tlogG= -0.007968 logG= -0.009408 Density= 0.070848 ETOT(band)= -0.077936 trlgG= -0.097476 logG= -0.009408 TDE= -0.056952 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004321 tlogG= -0.024139 logG= -0.028461 Density= 0.212115 ETOT(band)= -0.234332 trlgG= -0.293756 logG= -0.028461 TDE= -0.170946 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004510 tlogG= -0.023594 logG= -0.028104 Density= 0.212561 ETOT(band)= -0.233952 trlgG= -0.292808 logG= -0.028104 TDE= -0.170663 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023898 logG= -0.028523 Density= 0.213219 ETOT(band)= -0.233823 trlgG= -0.292567 logG= -0.028523 TDE= -0.170752 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001589 tlogG= -0.006877 logG= -0.008466 Density= 0.040833 ETOT(band)= -0.042668 trlgG= -0.052813 logG= -0.008466 TDE= -0.056453 logGD-logG0= -0.001192 tlogG= -0.005173 logG= -0.006366 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.062522 ETOT(band)= -0.067534 trlgG= -0.084229 logG= -0.006366 TDE= -0.042352 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004989 tlogG= -0.022914 logG= -0.027903 Density= 0.214731 ETOT(band)= -0.232366 trlgG= -0.289763 logG= -0.027903 TDE= -0.170400 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007591 logG= -0.009170 Density= 0.071476 ETOT(band)= -0.077335 trlgG= -0.096179 logG= -0.009170 TDE= -0.056727 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005858 logG= -0.007136 Density= 0.080621 ETOT(band)= -0.087601 trlgG= -0.110195 logG= -0.007136 TDE= -0.042804 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001264 tlogG= -0.005750 logG= -0.007014 Density= 0.080610 ETOT(band)= -0.087385 trlgG= -0.109640 logG= -0.007014 TDE= -0.042739 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005248 tlogG= -0.024009 logG= -0.029257 Density= 0.215610 ETOT(band)= -0.233828 trlgG= -0.294903 logG= -0.029257 TDE= -0.171545 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.005941 logG= -0.007224 Density= 0.080803 ETOT(band)= -0.087636 trlgG= -0.110393 logG= -0.007224 TDE= -0.042858 logGD-logG0= -0.001243 tlogG= -0.005622 logG= -0.006865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080811 ETOT(band)= -0.086956 trlgG= -0.108637 logG= -0.006865 TDE= -0.042662 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005986 logG= -0.007268 Density= 0.081032 ETOT(band)= -0.087540 trlgG= -0.110446 logG= -0.007268 TDE= -0.042888 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004455 tlogG= -0.023748 logG= -0.028202 Density= 0.213028 ETOT(band)= -0.233546 trlgG= -0.291834 logG= -0.028202 TDE= -0.170748 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005281 tlogG= -0.023808 logG= -0.029089 Density= 0.215260 ETOT(band)= -0.233733 trlgG= -0.294249 logG= -0.029089 TDE= -0.171393 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023492 logG= -0.028765 Density= 0.215143 ETOT(band)= -0.233296 trlgG= -0.292984 logG= -0.028765 TDE= -0.171136 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005211 tlogG= -0.024008 logG= -0.029219 Density= 0.216277 ETOT(band)= -0.233311 trlgG= -0.294429 logG= -0.029219 TDE= -0.171563 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004794 tlogG= -0.024014 logG= -0.028808 Density= 0.321461 ETOT(band)= -0.351058 trlgG= -0.441454 logG= -0.028808 TDE= -0.171194 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.024130 logG= -0.029471 Density= 0.215642 ETOT(band)= -0.233984 trlgG= -0.295319 logG= -0.029471 TDE= -0.171577 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005097 tlogG= -0.023854 logG= -0.028951 Density= 0.215421 ETOT(band)= -0.233729 trlgG= -0.294352 logG= -0.028951 TDE= -0.171080 logGD-logG0= -0.004599 tlogG= -0.023981 logG= -0.028579 Density= 0.212747 ETOT(band)= -0.234232 trlgG= -0.293560 logG= -0.028579 TDE= -0.170800 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004970 tlogG= -0.022300 logG= -0.027270 Density= 0.214198 ETOT(band)= -0.232404 trlgG= -0.289515 logG= -0.027270 TDE= -0.170136 logGD-logG0= -0.010219 tlogG= -0.045648 logG= -0.055867 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323935 ETOT(band)= -0.347901 trlgG= -0.435084 logG= -0.055867 TDE= -0.341393 logGD-logG0= -0.010452 tlogG= -0.047803 logG= -0.058254 Density= 0.324234 ETOT(band)= -0.349872 trlgG= -0.441141 logG= -0.058254 TDE= -0.342966 logGD-logG0= -0.001700 tlogG= -0.007120 logG= -0.008820 Density= 0.072206 ETOT(band)= -0.076469 trlgG= -0.094868 logG= -0.008820 TDE= -0.056613 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004705 tlogG= -0.023376 logG= -0.028081 Density= 0.321535 ETOT(band)= -0.350008 trlgG= -0.438875 logG= -0.028081 TDE= -0.170869 logGD-logG0= -0.005230 tlogG= -0.023424 logG= -0.028654 Density= 0.216122 ETOT(band)= -0.232629 trlgG= -0.292284 logG= -0.028654 TDE= -0.171156 logGD-logG0= -0.005100 tlogG= -0.023965 logG= -0.029065 Density= 0.214270 ETOT(band)= -0.234062 trlgG= -0.293988 logG= -0.029065 TDE= -0.171032 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005066 tlogG= -0.024171 logG= -0.029237 logGD-logG0= -0.005204 tlogG= -0.023965 logG= -0.029169 Density= 0.322331 ETOT(band)= -0.351175 trlgG= -0.442133 logG= -0.029237 TDE= -0.171200 Density= 0.216311 ETOT(band)= -0.233207 trlgG= -0.294196 logG= -0.029169 TDE= -0.171536 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.022481 logG= -0.027420 Density= 0.214957 ETOT(band)= -0.231629 trlgG= -0.288119 logG= -0.027420 TDE= -0.170149 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.023891 logG= -0.028829 logGD-logG0= -0.005051 tlogG= -0.023253 logG= -0.028305 Density= 0.213721 ETOT(band)= -0.233974 trlgG= -0.293077 logG= -0.028829 TDE= -0.170761 logGD-logG0= -0.005224 tlogG= -0.023770 logG= -0.028994 Density= 0.321599 ETOT(band)= -0.350517 trlgG= -0.439727 logG= -0.028305 TDE= -0.170823 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216201 ETOT(band)= -0.233009 trlgG= -0.293491 logG= -0.028994 TDE= -0.171395 logGD-logG0= -0.010497 tlogG= -0.047252 logG= -0.057750 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324018 ETOT(band)= -0.349504 trlgG= -0.439792 logG= -0.057750 TDE= -0.342574 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005389 tlogG= -0.023906 logG= -0.029295 Density= 0.215570 ETOT(band)= -0.233730 trlgG= -0.294631 logG= -0.029295 TDE= -0.171401 logGD-logG0= -0.004804 tlogG= -0.023253 logG= -0.028057 Density= 0.213437 ETOT(band)= -0.233577 trlgG= -0.292295 logG= -0.028057 TDE= -0.170713 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005040 tlogG= -0.024165 logG= -0.029205 logGD-logG0= -0.005202 tlogG= -0.022977 logG= -0.028179 Density= 0.214669 ETOT(band)= -0.234136 trlgG= -0.294604 logG= -0.029205 TDE= -0.171205 Density= 0.216151 ETOT(band)= -0.232054 trlgG= -0.290667 logG= -0.028179 TDE= -0.170869 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010735 tlogG= -0.048058 logG= -0.058793 logGD-logG0= -0.005271 tlogG= -0.024093 logG= -0.029364 logGD-logG0= -0.004761 tlogG= -0.024015 logG= -0.028776 Density= 0.214052 ETOT(band)= -0.234052 trlgG= -0.294205 logG= -0.028776 TDE= -0.171198 Density= 0.322949 ETOT(band)= -0.351149 trlgG= -0.442784 logG= -0.029364 TDE= -0.171391 Density= 0.323134 ETOT(band)= -0.350941 trlgG= -0.442482 logG= -0.058793 TDE= -0.342957 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009726 tlogG= -0.046622 logG= -0.056348 Density= 0.322601 ETOT(band)= -0.348965 trlgG= -0.436518 logG= -0.056348 TDE= -0.341548 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.023844 logG= -0.028701 Density= 0.213508 ETOT(band)= -0.234112 trlgG= -0.293814 logG= -0.028701 TDE= -0.171017 logGD-logG0= -0.005374 tlogG= -0.023965 logG= -0.029339 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323547 ETOT(band)= -0.350615 trlgG= -0.442227 logG= -0.029339 TDE= -0.171449 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010494 tlogG= -0.046432 logG= -0.056926 Density= 0.323885 ETOT(band)= -0.348846 trlgG= -0.437705 logG= -0.056926 TDE= -0.342017 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005437 tlogG= -0.023692 logG= -0.029129 logGD-logG0= -0.004673 tlogG= -0.023379 logG= -0.028052 Density= 0.214118 ETOT(band)= -0.233337 trlgG= -0.292410 logG= -0.028052 TDE= -0.170877 Density= 0.215334 ETOT(band)= -0.233582 trlgG= -0.293932 logG= -0.029129 TDE= -0.171223 logGD-logG0= -0.005191 tlogG= -0.023204 logG= -0.028394 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214799 ETOT(band)= -0.232921 trlgG= -0.291294 logG= -0.028394 TDE= -0.170586 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010188 tlogG= -0.048165 logG= -0.058353 Density= 0.429157 ETOT(band)= -0.468204 trlgG= -0.588769 logG= -0.058353 TDE= -0.342249 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009684 tlogG= -0.047856 logG= -0.057540 Density= 0.427901 ETOT(band)= -0.468087 trlgG= -0.587996 logG= -0.057540 TDE= -0.342202 logGD-logG0= -0.009491 tlogG= -0.046730 logG= -0.056220 Density= 0.427766 ETOT(band)= -0.466056 trlgG= -0.581988 logG= -0.056220 TDE= -0.341156 logGD-logG0= -0.010297 tlogG= -0.047685 logG= -0.057983 logGD-logG0= -0.010321 tlogG= -0.048239 logG= -0.058560 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428153 ETOT(band)= -0.468072 trlgG= -0.587328 logG= -0.057983 TDE= -0.341843 logGD-logG0= -0.009000 tlogG= -0.048112 logG= -0.057112 Density= 0.425414 ETOT(band)= -0.468262 trlgG= -0.586604 logG= -0.057112 TDE= -0.341716 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429890 ETOT(band)= -0.468211 trlgG= -0.589537 logG= -0.058560 TDE= -0.342461 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010356 tlogG= -0.047974 logG= -0.058330 logGD-logG0= -0.009546 tlogG= -0.046624 logG= -0.056170 Density= 0.429061 ETOT(band)= -0.468166 trlgG= -0.588412 logG= -0.058330 TDE= -0.342087 Density= 0.427966 ETOT(band)= -0.466780 trlgG= -0.584598 logG= -0.056170 TDE= -0.341572 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005102 tlogG= -0.021889 logG= -0.026990 Density= 0.216553 ETOT(band)= -0.230257 trlgG= -0.286565 logG= -0.026990 TDE= -0.170195 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005457 tlogG= -0.023364 logG= -0.028821 Density= 0.215035 ETOT(band)= -0.233322 trlgG= -0.292790 logG= -0.028821 TDE= -0.170930 logGD-logG0= -0.009860 tlogG= -0.047870 logG= -0.057730 Density= 0.428994 ETOT(band)= -0.467867 trlgG= -0.587974 logG= -0.057730 TDE= -0.342190 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009691 tlogG= -0.047668 logG= -0.057359 Density= 0.426543 ETOT(band)= -0.468295 trlgG= -0.587123 logG= -0.057359 TDE= -0.341733 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010699 tlogG= -0.047747 logG= -0.058447 logGD-logG0= -0.004929 tlogG= -0.021310 logG= -0.026240 Density= 0.162592 ETOT(band)= -0.172965 trlgG= -0.215977 logG= -0.026240 TDE= -0.169851 logGD-logG0= -0.010531 tlogG= -0.048089 logG= -0.058620 Density= 0.429996 ETOT(band)= -0.468041 trlgG= -0.589209 logG= -0.058620 TDE= -0.342587 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430602 ETOT(band)= -0.467466 trlgG= -0.588498 logG= -0.058447 TDE= -0.342604 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009645 tlogG= -0.047787 logG= -0.057432 Density= 0.427046 ETOT(band)= -0.467846 trlgG= -0.585977 logG= -0.057432 TDE= -0.341435 logGD-logG0= -0.005140 tlogG= -0.022448 logG= -0.027588 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216297 ETOT(band)= -0.231255 trlgG= -0.288681 logG= -0.027588 TDE= -0.170535 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010804 tlogG= -0.047709 logG= -0.058513 Density= 0.430942 ETOT(band)= -0.467410 trlgG= -0.588858 logG= -0.058513 TDE= -0.342710 logGD-logG0= -0.010728 tlogG= -0.048034 logG= -0.058763 Density= 0.431180 ETOT(band)= -0.467693 trlgG= -0.589852 logG= -0.058763 TDE= -0.342975 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009975 tlogG= -0.046417 logG= -0.056392 Density= 0.429396 ETOT(band)= -0.465491 trlgG= -0.581671 logG= -0.056392 TDE= -0.341268 logGD-logG0= -0.005012 tlogG= -0.021360 logG= -0.026372 Density= 0.216946 ETOT(band)= -0.229149 trlgG= -0.284361 logG= -0.026372 TDE= -0.169864 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010359 tlogG= -0.046948 logG= -0.057307 logGD-logG0= -0.010040 tlogG= -0.047576 logG= -0.057616 Density= 0.429739 ETOT(band)= -0.466410 trlgG= -0.584368 logG= -0.057307 TDE= -0.341555 Density= 0.428471 ETOT(band)= -0.467416 trlgG= -0.586368 logG= -0.057616 TDE= -0.341888 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001211 tlogG= -0.005309 logG= -0.006520 Density= 0.081530 ETOT(band)= -0.085676 trlgG= -0.106241 logG= -0.006520 TDE= -0.042454 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010284 tlogG= -0.047588 logG= -0.057871 Density= 0.429865 ETOT(band)= -0.467059 trlgG= -0.586299 logG= -0.057871 TDE= -0.342000 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010758 tlogG= -0.047286 logG= -0.058044 Density= 0.430334 ETOT(band)= -0.467040 trlgG= -0.587024 logG= -0.058044 TDE= -0.342220 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004857 tlogG= -0.022336 logG= -0.027193 Density= 0.322770 ETOT(band)= -0.347932 trlgG= -0.434126 logG= -0.027193 TDE= -0.170217 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010011 tlogG= -0.044640 logG= -0.054651 logGD-logG0= -0.001230 tlogG= -0.005470 logG= -0.006700 Density= 0.324179 ETOT(band)= -0.346630 trlgG= -0.432073 logG= -0.054651 TDE= -0.340716 Density= 0.081173 ETOT(band)= -0.086344 trlgG= -0.107399 logG= -0.006700 TDE= -0.042565 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.021215 logG= -0.026186 Density= 0.216275 ETOT(band)= -0.230008 trlgG= -0.285615 logG= -0.026186 TDE= -0.169770 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004817 tlogG= -0.022335 logG= -0.027152 Density= 0.214962 ETOT(band)= -0.231919 trlgG= -0.289164 logG= -0.027152 TDE= -0.170223 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009860 tlogG= -0.044642 logG= -0.054502 Density= 0.431468 ETOT(band)= -0.462020 trlgG= -0.574891 logG= -0.054502 TDE= -0.340353 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.775376758272 eV TrLogG= -407.327524388800 eV Ratio to renormalize= 1.000357907128 rho-rho_expected=-0.007871139689 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 46) Finished k-point number 93 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964554380076756 0.940193987170361 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005853 logG= -0.001050 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002617 tlogG= -0.012035 logG= -0.014652 Density= 0.053742 ETOT(band)= -0.058520 trlgG= -0.073694 logG= -0.014652 TDE= -0.085636 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002340 tlogG= -0.011886 logG= -0.014226 Density= 0.053543 ETOT(band)= -0.058386 trlgG= -0.073274 logG= -0.014226 TDE= -0.085543 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002347 tlogG= -0.011451 logG= -0.013798 Density= 0.053718 ETOT(band)= -0.058055 trlgG= -0.072510 logG= -0.013798 TDE= -0.085294 logGD-logG0= -0.001495 tlogG= -0.007813 logG= -0.009308 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002435 tlogG= -0.012084 logG= -0.014520 Density= 0.053564 ETOT(band)= -0.058530 trlgG= -0.073637 logG= -0.014520 TDE= -0.085623 Density= 0.035482 ETOT(band)= -0.038913 trlgG= -0.048612 logG= -0.009308 TDE= -0.056862 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001414 tlogG= -0.008046 logG= -0.009460 Density= 0.035303 ETOT(band)= -0.039064 trlgG= -0.048975 logG= -0.009460 TDE= -0.056985 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.023436 logG= -0.028612 Density= 0.108086 ETOT(band)= -0.116354 trlgG= -0.146308 logG= -0.028612 TDE= -0.171183 logGD-logG0= -0.002575 tlogG= -0.011987 logG= -0.014561 Density= 0.054115 ETOT(band)= -0.058283 trlgG= -0.073559 logG= -0.014561 TDE= -0.085777 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004350 tlogG= -0.024056 logG= -0.028406 Density= 0.106086 ETOT(band)= -0.117129 trlgG= -0.146801 logG= -0.028406 TDE= -0.170892 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.022988 logG= -0.028122 logGD-logG0= -0.005169 tlogG= -0.023955 logG= -0.029124 Density= 0.108183 ETOT(band)= -0.116591 trlgG= -0.147123 logG= -0.029124 TDE= -0.171533 Density= 0.108092 ETOT(band)= -0.116083 trlgG= -0.145533 logG= -0.028122 TDE= -0.170900 logGD-logG0= -0.002644 tlogG= -0.011990 logG= -0.014634 Density= 0.053960 ETOT(band)= -0.058404 trlgG= -0.073680 logG= -0.014634 TDE= -0.085748 logGD-logG0= -0.004377 tlogG= -0.023979 logG= -0.028356 Density= 0.106138 ETOT(band)= -0.117085 trlgG= -0.146688 logG= -0.028356 TDE= -0.170854 logGD-logG0= -0.005065 tlogG= -0.022464 logG= -0.027529 logGD-logG0= -0.005309 tlogG= -0.024078 logG= -0.029386 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004982 tlogG= -0.022176 logG= -0.027159 Density= 0.108316 ETOT(band)= -0.115404 trlgG= -0.143979 logG= -0.027159 TDE= -0.170420 Density= 0.107599 ETOT(band)= -0.117041 trlgG= -0.147535 logG= -0.029386 TDE= -0.171394 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108161 ETOT(band)= -0.115710 trlgG= -0.144586 logG= -0.027529 TDE= -0.170581 logGD-logG0= -0.005182 tlogG= -0.023769 logG= -0.028951 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108132 ETOT(band)= -0.116516 trlgG= -0.146845 logG= -0.028951 TDE= -0.171403 logGD-logG0= -0.005320 tlogG= -0.024091 logG= -0.029412 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107843 ETOT(band)= -0.116950 trlgG= -0.147600 logG= -0.029412 TDE= -0.171554 logGD-logG0= -0.004893 tlogG= -0.022856 logG= -0.027749 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107708 ETOT(band)= -0.116064 trlgG= -0.144948 logG= -0.027749 TDE= -0.170498 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023611 logG= -0.028769 Density= 0.108158 ETOT(band)= -0.116401 trlgG= -0.146553 logG= -0.028769 TDE= -0.171307 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004651 tlogG= -0.023210 logG= -0.027861 Density= 0.106703 ETOT(band)= -0.116588 trlgG= -0.145483 logG= -0.027861 TDE= -0.170423 logGD-logG0= -0.005127 tlogG= -0.023221 logG= -0.028349 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108150 ETOT(band)= -0.116177 trlgG= -0.145890 logG= -0.028349 TDE= -0.171059 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004860 tlogG= -0.023694 logG= -0.028554 logGD-logG0= -0.004573 tlogG= -0.024051 logG= -0.028624 logGD-logG0= -0.005156 tlogG= -0.023877 logG= -0.029033 Density= 0.106354 ETOT(band)= -0.117119 trlgG= -0.146812 logG= -0.028624 TDE= -0.170818 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107339 ETOT(band)= -0.116694 trlgG= -0.146415 logG= -0.028554 TDE= -0.170978 logGD-logG0= -0.005259 tlogG= -0.023973 logG= -0.029232 logGD-logG0= -0.005041 tlogG= -0.022414 logG= -0.027455 Density= 0.107596 ETOT(band)= -0.115934 trlgG= -0.144462 logG= -0.027455 TDE= -0.170251 logGD-logG0= -0.005316 tlogG= -0.023689 logG= -0.029006 Density= 0.107191 ETOT(band)= -0.116973 trlgG= -0.146864 logG= -0.029006 TDE= -0.170902 Density= 0.107402 ETOT(band)= -0.117027 trlgG= -0.147260 logG= -0.029232 TDE= -0.171176 logGD-logG0= -0.005353 tlogG= -0.024137 logG= -0.029490 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005023 tlogG= -0.024098 logG= -0.029122 Density= 0.107338 ETOT(band)= -0.117005 trlgG= -0.147157 logG= -0.029122 TDE= -0.171152 Density= 0.107766 ETOT(band)= -0.117038 trlgG= -0.147725 logG= -0.029490 TDE= -0.171562 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.022995 logG= -0.027732 Density= 0.106838 ETOT(band)= -0.116457 trlgG= -0.145220 logG= -0.027732 TDE= -0.170357 Density= 0.108203 ETOT(band)= -0.116527 trlgG= -0.146974 logG= -0.029033 TDE= -0.171486 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005026 tlogG= -0.023650 logG= -0.028676 logGD-logG0= -0.005061 tlogG= -0.022740 logG= -0.027801 Density= 0.108205 ETOT(band)= -0.115847 trlgG= -0.145022 logG= -0.027801 TDE= -0.170767 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.023674 logG= -0.028382 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106563 ETOT(band)= -0.116926 trlgG= -0.146396 logG= -0.028382 TDE= -0.170747 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106940 ETOT(band)= -0.116900 trlgG= -0.146312 logG= -0.028676 TDE= -0.170556 logGD-logG0= -0.004763 tlogG= -0.023506 logG= -0.028268 Density= 0.106738 ETOT(band)= -0.116780 trlgG= -0.145969 logG= -0.028268 TDE= -0.170519 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005140 tlogG= -0.022882 logG= -0.028021 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004738 tlogG= -0.023691 logG= -0.028430 Density= 0.106939 ETOT(band)= -0.116810 trlgG= -0.146503 logG= -0.028430 TDE= -0.170992 Density= 0.107576 ETOT(band)= -0.116268 trlgG= -0.145359 logG= -0.028021 TDE= -0.170571 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004931 tlogG= -0.023900 logG= -0.028831 Density= 0.106720 ETOT(band)= -0.117082 trlgG= -0.146925 logG= -0.028831 TDE= -0.170904 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004911 tlogG= -0.024074 logG= -0.028985 Density= 0.107017 ETOT(band)= -0.117065 trlgG= -0.147181 logG= -0.028985 TDE= -0.171154 logGD-logG0= -0.004770 tlogG= -0.022857 logG= -0.027627 Density= 0.107260 ETOT(band)= -0.116206 trlgG= -0.145071 logG= -0.027627 TDE= -0.170521 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.023875 logG= -0.029181 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107871 ETOT(band)= -0.116777 trlgG= -0.147215 logG= -0.029181 TDE= -0.171414 logGD-logG0= -0.005331 tlogG= -0.023203 logG= -0.028534 Density= 0.107641 ETOT(band)= -0.116517 trlgG= -0.146169 logG= -0.028534 TDE= -0.170901 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005341 tlogG= -0.023909 logG= -0.029250 Density= 0.107708 ETOT(band)= -0.116908 trlgG= -0.147320 logG= -0.029250 TDE= -0.171369 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009844 tlogG= -0.048254 logG= -0.058098 logGD-logG0= -0.005295 tlogG= -0.024063 logG= -0.029358 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214322 ETOT(band)= -0.234089 trlgG= -0.294439 logG= -0.058098 TDE= -0.342397 Density= 0.107902 ETOT(band)= -0.116883 trlgG= -0.147511 logG= -0.029358 TDE= -0.171549 logGD-logG0= -0.009530 tlogG= -0.045772 logG= -0.055302 Density= 0.214942 ETOT(band)= -0.232248 trlgG= -0.290046 logG= -0.055302 TDE= -0.341108 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009165 tlogG= -0.047642 logG= -0.056807 logGD-logG0= -0.009809 tlogG= -0.045601 logG= -0.055410 Density= 0.212858 ETOT(band)= -0.233973 trlgG= -0.292926 logG= -0.056807 TDE= -0.341452 Density= 0.214292 ETOT(band)= -0.232595 trlgG= -0.290220 logG= -0.055410 TDE= -0.340852 logGD-logG0= -0.009990 tlogG= -0.047911 logG= -0.057900 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213892 ETOT(band)= -0.234126 trlgG= -0.294124 logG= -0.057900 TDE= -0.342069 logGD-logG0= -0.010565 tlogG= -0.047759 logG= -0.058324 Density= 0.214675 ETOT(band)= -0.234016 trlgG= -0.294273 logG= -0.058324 TDE= -0.342180 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009709 tlogG= -0.047170 logG= -0.056879 Density= 0.213694 ETOT(band)= -0.233678 trlgG= -0.292858 logG= -0.056879 TDE= -0.341725 logGD-logG0= -0.009482 tlogG= -0.047458 logG= -0.056940 Density= 0.214235 ETOT(band)= -0.233511 trlgG= -0.292991 logG= -0.056940 TDE= -0.342065 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010520 tlogG= -0.048094 logG= -0.058614 Density= 0.214987 ETOT(band)= -0.234071 trlgG= -0.294785 logG= -0.058614 TDE= -0.342557 logGD-logG0= -0.009593 tlogG= -0.047944 logG= -0.057537 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213201 ETOT(band)= -0.234186 trlgG= -0.293572 logG= -0.057537 TDE= -0.341537 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009866 tlogG= -0.047169 logG= -0.057035 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213705 ETOT(band)= -0.233723 trlgG= -0.292651 logG= -0.057035 TDE= -0.341367 logGD-logG0= -0.010368 tlogG= -0.047993 logG= -0.058361 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214990 ETOT(band)= -0.233925 trlgG= -0.294369 logG= -0.058361 TDE= -0.342395 logGD-logG0= -0.010429 tlogG= -0.047799 logG= -0.058228 Density= 0.214575 ETOT(band)= -0.234009 trlgG= -0.294103 logG= -0.058228 TDE= -0.342057 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001633 tlogG= -0.006994 logG= -0.008627 Density= 0.036182 ETOT(band)= -0.038118 trlgG= -0.047257 logG= -0.008627 TDE= -0.056534 logGD-logG0= -0.010113 tlogG= -0.048041 logG= -0.058153 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010601 tlogG= -0.048028 logG= -0.058629 Density= 0.214451 ETOT(band)= -0.234037 trlgG= -0.294189 logG= -0.058153 TDE= -0.342157 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010228 tlogG= -0.047673 logG= -0.057901 Density= 0.213873 ETOT(band)= -0.234113 trlgG= -0.293877 logG= -0.057901 TDE= -0.341811 Density= 0.215023 ETOT(band)= -0.234062 trlgG= -0.294812 logG= -0.058629 TDE= -0.342587 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010453 tlogG= -0.047324 logG= -0.057777 Density= 0.214184 ETOT(band)= -0.233907 trlgG= -0.293354 logG= -0.057777 TDE= -0.341566 logGD-logG0= -0.010588 tlogG= -0.047951 logG= -0.058539 Density= 0.215808 ETOT(band)= -0.233637 trlgG= -0.294724 logG= -0.058539 TDE= -0.342978 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009913 tlogG= -0.045662 logG= -0.055575 Density= 0.215073 ETOT(band)= -0.232325 trlgG= -0.290039 logG= -0.055575 TDE= -0.340893 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005343 tlogG= -0.023584 logG= -0.028928 logGD-logG0= -0.010662 tlogG= -0.047538 logG= -0.058200 Density= 0.107757 ETOT(band)= -0.116680 trlgG= -0.146799 logG= -0.028928 TDE= -0.171195 logGD-logG0= -0.002417 tlogG= -0.010430 logG= -0.012846 Density= 0.054356 ETOT(band)= -0.057060 trlgG= -0.070708 logG= -0.012846 TDE= -0.084760 logGD-logG0= -0.010226 tlogG= -0.046426 logG= -0.056652 Density= 0.215614 ETOT(band)= -0.233520 trlgG= -0.294160 logG= -0.058200 TDE= -0.342657 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215136 ETOT(band)= -0.232889 trlgG= -0.291673 logG= -0.056652 TDE= -0.341481 logGD-logG0= -0.010713 tlogG= -0.048160 logG= -0.058873 Density= 0.215337 ETOT(band)= -0.234089 trlgG= -0.295251 logG= -0.058873 TDE= -0.342937 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047437 logG= -0.058059 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215383 ETOT(band)= -0.233559 trlgG= -0.293919 logG= -0.058059 TDE= -0.342442 logGD-logG0= -0.010643 tlogG= -0.047899 logG= -0.058542 Density= 0.215681 ETOT(band)= -0.233709 trlgG= -0.294725 logG= -0.058542 TDE= -0.342913 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009837 tlogG= -0.047236 logG= -0.057073 Density= 0.214400 ETOT(band)= -0.233474 trlgG= -0.292766 logG= -0.057073 TDE= -0.341789 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010664 tlogG= -0.046894 logG= -0.057559 Density= 0.215346 ETOT(band)= -0.233282 trlgG= -0.293118 logG= -0.057559 TDE= -0.342123 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010138 tlogG= -0.047166 logG= -0.057304 Density= 0.215070 ETOT(band)= -0.233291 trlgG= -0.292690 logG= -0.057304 TDE= -0.341814 logGD-logG0= -0.002477 tlogG= -0.010844 logG= -0.013321 Density= 0.054043 ETOT(band)= -0.057576 trlgG= -0.071553 logG= -0.013321 TDE= -0.084975 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005018 tlogG= -0.021882 logG= -0.026899 Density= 0.108281 ETOT(band)= -0.115220 trlgG= -0.143530 logG= -0.026899 TDE= -0.170213 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004931 tlogG= -0.021571 logG= -0.026503 Density= 0.108471 ETOT(band)= -0.114854 trlgG= -0.142851 logG= -0.026503 TDE= -0.170025 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001700 tlogG= -0.007306 logG= -0.009006 Density= 0.035831 ETOT(band)= -0.038566 trlgG= -0.047916 logG= -0.009006 TDE= -0.056641 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005098 tlogG= -0.021824 logG= -0.026922 Density= 0.107750 ETOT(band)= -0.115506 trlgG= -0.143588 logG= -0.026922 TDE= -0.169987 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.021701 logG= -0.026739 Density= 0.107892 ETOT(band)= -0.115314 trlgG= -0.143279 logG= -0.026739 TDE= -0.169931 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010071 tlogG= -0.043402 logG= -0.053473 Density= 0.216196 ETOT(band)= -0.230419 trlgG= -0.286537 logG= -0.053473 TDE= -0.340048 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004851 tlogG= -0.020996 logG= -0.025847 Density= 0.108666 ETOT(band)= -0.114266 trlgG= -0.141695 logG= -0.025847 TDE= -0.169622 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001284 tlogG= -0.005940 logG= -0.007224 Density= 0.080799 ETOT(band)= -0.087629 trlgG= -0.110383 logG= -0.007224 TDE= -0.042855 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001244 tlogG= -0.005621 logG= -0.006865 Density= 0.080808 ETOT(band)= -0.086949 trlgG= -0.108628 logG= -0.006865 TDE= -0.042659 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005749 logG= -0.007014 Density= 0.080606 ETOT(band)= -0.087377 trlgG= -0.109630 logG= -0.007014 TDE= -0.042735 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005857 logG= -0.007136 Density= 0.080617 ETOT(band)= -0.087593 trlgG= -0.110186 logG= -0.007136 TDE= -0.042800 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.005985 logG= -0.007268 Density= 0.081027 ETOT(band)= -0.087533 trlgG= -0.110438 logG= -0.007268 TDE= -0.042885 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001441 tlogG= -0.007967 logG= -0.009408 Density= 0.070846 ETOT(band)= -0.077928 trlgG= -0.097466 logG= -0.009408 TDE= -0.056946 logGD-logG0= -0.005251 tlogG= -0.024006 logG= -0.029257 Density= 0.215599 ETOT(band)= -0.233809 trlgG= -0.294879 logG= -0.029257 TDE= -0.171531 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005285 tlogG= -0.023804 logG= -0.029089 Density= 0.215250 ETOT(band)= -0.233713 trlgG= -0.294224 logG= -0.029089 TDE= -0.171378 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023490 logG= -0.028765 logGD-logG0= -0.005215 tlogG= -0.024004 logG= -0.029219 Density= 0.215133 ETOT(band)= -0.233277 trlgG= -0.292960 logG= -0.028765 TDE= -0.171121 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216265 ETOT(band)= -0.233293 trlgG= -0.294406 logG= -0.029219 TDE= -0.171548 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004324 tlogG= -0.024136 logG= -0.028460 Density= 0.212109 ETOT(band)= -0.234307 trlgG= -0.293725 logG= -0.028460 TDE= -0.170930 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005344 tlogG= -0.024126 logG= -0.029471 Density= 0.215631 ETOT(band)= -0.233965 trlgG= -0.295294 logG= -0.029471 TDE= -0.171562 logGD-logG0= -0.004797 tlogG= -0.024011 logG= -0.028808 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321448 ETOT(band)= -0.351027 trlgG= -0.441414 logG= -0.028808 TDE= -0.171179 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004708 tlogG= -0.023373 logG= -0.028081 Density= 0.321523 ETOT(band)= -0.349976 trlgG= -0.438835 logG= -0.028081 TDE= -0.170854 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023851 logG= -0.028950 logGD-logG0= -0.001590 tlogG= -0.006876 logG= -0.008466 Density= 0.040831 ETOT(band)= -0.042665 trlgG= -0.052810 logG= -0.008466 TDE= -0.056448 Density= 0.215410 ETOT(band)= -0.233709 trlgG= -0.294327 logG= -0.028950 TDE= -0.171066 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005143 tlogG= -0.022446 logG= -0.027589 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216287 ETOT(band)= -0.231237 trlgG= -0.288659 logG= -0.027589 TDE= -0.170521 logGD-logG0= -0.010504 tlogG= -0.047245 logG= -0.057750 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324002 ETOT(band)= -0.349476 trlgG= -0.439757 logG= -0.057750 TDE= -0.342545 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005234 tlogG= -0.023420 logG= -0.028654 logGD-logG0= -0.005102 tlogG= -0.023962 logG= -0.029064 Density= 0.214261 ETOT(band)= -0.234041 trlgG= -0.293961 logG= -0.029064 TDE= -0.171017 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004512 tlogG= -0.023591 logG= -0.028104 logGD-logG0= -0.005068 tlogG= -0.024168 logG= -0.029236 Density= 0.212555 ETOT(band)= -0.233928 trlgG= -0.292778 logG= -0.028104 TDE= -0.170648 logGD-logG0= -0.005227 tlogG= -0.023767 logG= -0.028994 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216111 ETOT(band)= -0.232610 trlgG= -0.292261 logG= -0.028654 TDE= -0.171142 Density= 0.216190 ETOT(band)= -0.232991 trlgG= -0.293469 logG= -0.028994 TDE= -0.171381 Density= 0.322316 ETOT(band)= -0.351145 trlgG= -0.442095 logG= -0.029236 TDE= -0.171185 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001193 tlogG= -0.005173 logG= -0.006366 Density= 0.062519 ETOT(band)= -0.067528 trlgG= -0.084222 logG= -0.006366 TDE= -0.042349 logGD-logG0= -0.005043 tlogG= -0.024162 logG= -0.029205 Density= 0.214660 ETOT(band)= -0.234115 trlgG= -0.294579 logG= -0.029205 TDE= -0.171190 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023961 logG= -0.029169 logGD-logG0= -0.004626 tlogG= -0.023896 logG= -0.028522 Density= 0.213213 ETOT(band)= -0.233801 trlgG= -0.292538 logG= -0.028522 TDE= -0.170737 Density= 0.216299 ETOT(band)= -0.233189 trlgG= -0.294174 logG= -0.029169 TDE= -0.171522 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005205 tlogG= -0.022974 logG= -0.028179 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216140 ETOT(band)= -0.232036 trlgG= -0.290645 logG= -0.028179 TDE= -0.170855 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010459 tlogG= -0.047796 logG= -0.058255 Density= 0.324217 ETOT(band)= -0.349845 trlgG= -0.441107 logG= -0.058255 TDE= -0.342937 logGD-logG0= -0.004939 tlogG= -0.023890 logG= -0.028829 logGD-logG0= -0.005273 tlogG= -0.024091 logG= -0.029363 logGD-logG0= -0.009731 tlogG= -0.046617 logG= -0.056348 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322933 ETOT(band)= -0.351120 trlgG= -0.442746 logG= -0.029363 TDE= -0.171376 logGD-logG0= -0.004457 tlogG= -0.023745 logG= -0.028202 logGD-logG0= -0.010500 tlogG= -0.046426 logG= -0.056926 Density= 0.323869 ETOT(band)= -0.348818 trlgG= -0.437670 logG= -0.056926 TDE= -0.341988 Density= 0.322588 ETOT(band)= -0.348935 trlgG= -0.436480 logG= -0.056348 TDE= -0.341518 Density= 0.213022 ETOT(band)= -0.233523 trlgG= -0.291805 logG= -0.028202 TDE= -0.170733 logGD-logG0= -0.005392 tlogG= -0.023902 logG= -0.029295 Density= 0.213713 ETOT(band)= -0.233952 trlgG= -0.293050 logG= -0.028829 TDE= -0.170746 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004807 tlogG= -0.023249 logG= -0.028056 Density= 0.213430 ETOT(band)= -0.233554 trlgG= -0.292267 logG= -0.028056 TDE= -0.170698 Density= 0.215559 ETOT(band)= -0.233711 trlgG= -0.294606 logG= -0.029295 TDE= -0.171386 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010224 tlogG= -0.045644 logG= -0.055868 Density= 0.323921 ETOT(band)= -0.347872 trlgG= -0.435050 logG= -0.055868 TDE= -0.341365 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005377 tlogG= -0.023962 logG= -0.029339 Density= 0.323530 ETOT(band)= -0.350587 trlgG= -0.442191 logG= -0.029339 TDE= -0.171434 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.022911 logG= -0.027902 Density= 0.214723 ETOT(band)= -0.232345 trlgG= -0.289738 logG= -0.027902 TDE= -0.170386 logGD-logG0= -0.004859 tlogG= -0.023841 logG= -0.028700 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213500 ETOT(band)= -0.234089 trlgG= -0.293786 logG= -0.028700 TDE= -0.171001 logGD-logG0= -0.010740 tlogG= -0.048052 logG= -0.058792 Density= 0.323118 ETOT(band)= -0.350912 trlgG= -0.442444 logG= -0.058792 TDE= -0.342927 logGD-logG0= -0.004764 tlogG= -0.024012 logG= -0.028776 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214044 ETOT(band)= -0.234030 trlgG= -0.294178 logG= -0.028776 TDE= -0.171183 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004676 tlogG= -0.023376 logG= -0.028052 Density= 0.214110 ETOT(band)= -0.233316 trlgG= -0.292383 logG= -0.028052 TDE= -0.170862 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.023251 logG= -0.028304 Density= 0.321586 ETOT(band)= -0.350485 trlgG= -0.439688 logG= -0.028304 TDE= -0.170808 logGD-logG0= -0.005192 tlogG= -0.023202 logG= -0.028394 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214790 ETOT(band)= -0.232901 trlgG= -0.291269 logG= -0.028394 TDE= -0.170571 logGD-logG0= -0.009004 tlogG= -0.048106 logG= -0.057110 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425401 ETOT(band)= -0.468215 trlgG= -0.586545 logG= -0.057110 TDE= -0.341686 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.048159 logG= -0.058352 logGD-logG0= -0.009689 tlogG= -0.047850 logG= -0.057539 Density= 0.427885 ETOT(band)= -0.468044 trlgG= -0.587941 logG= -0.057539 TDE= -0.342172 Density= 0.429138 ETOT(band)= -0.468163 trlgG= -0.588717 logG= -0.058352 TDE= -0.342220 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009495 tlogG= -0.046724 logG= -0.056219 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427752 ETOT(band)= -0.466012 trlgG= -0.581934 logG= -0.056219 TDE= -0.341125 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010302 tlogG= -0.047680 logG= -0.057982 Density= 0.428136 ETOT(band)= -0.468029 trlgG= -0.587274 logG= -0.057982 TDE= -0.341813 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005458 tlogG= -0.023362 logG= -0.028820 Density= 0.215026 ETOT(band)= -0.233303 trlgG= -0.292765 logG= -0.028820 TDE= -0.170915 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004600 tlogG= -0.023978 logG= -0.028579 Density= 0.212741 ETOT(band)= -0.234209 trlgG= -0.293531 logG= -0.028579 TDE= -0.170785 logGD-logG0= -0.010361 tlogG= -0.047968 logG= -0.058329 Density= 0.429042 ETOT(band)= -0.468125 trlgG= -0.588360 logG= -0.058329 TDE= -0.342057 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004932 tlogG= -0.021308 logG= -0.026241 Density= 0.162584 ETOT(band)= -0.172952 trlgG= -0.215961 logG= -0.026241 TDE= -0.169837 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010325 tlogG= -0.048234 logG= -0.058559 Density= 0.429869 ETOT(band)= -0.468171 trlgG= -0.589486 logG= -0.058559 TDE= -0.342431 logGD-logG0= -0.009865 tlogG= -0.047865 logG= -0.057730 logGD-logG0= -0.009551 tlogG= -0.046618 logG= -0.056169 logGD-logG0= -0.010535 tlogG= -0.048084 logG= -0.058619 Density= 0.429976 ETOT(band)= -0.468001 trlgG= -0.589158 logG= -0.058619 TDE= -0.342557 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427951 ETOT(band)= -0.466737 trlgG= -0.584544 logG= -0.056169 TDE= -0.341542 logGD-logG0= -0.010703 tlogG= -0.047743 logG= -0.058446 Density= 0.430581 ETOT(band)= -0.467427 trlgG= -0.588448 logG= -0.058446 TDE= -0.342574 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428976 ETOT(band)= -0.467825 trlgG= -0.587922 logG= -0.057730 TDE= -0.342160 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009694 tlogG= -0.047664 logG= -0.057358 logGD-logG0= -0.010811 tlogG= -0.047702 logG= -0.058512 Density= 0.430920 ETOT(band)= -0.467372 trlgG= -0.588809 logG= -0.058512 TDE= -0.342681 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426528 ETOT(band)= -0.468250 trlgG= -0.587067 logG= -0.057358 TDE= -0.341703 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009648 tlogG= -0.047783 logG= -0.057431 Density= 0.427031 ETOT(band)= -0.467802 trlgG= -0.585922 logG= -0.057431 TDE= -0.341405 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010363 tlogG= -0.046943 logG= -0.057307 Density= 0.429720 ETOT(band)= -0.466370 trlgG= -0.584318 logG= -0.057307 TDE= -0.341526 logGD-logG0= -0.009980 tlogG= -0.046412 logG= -0.056391 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429380 ETOT(band)= -0.465450 trlgG= -0.581619 logG= -0.056391 TDE= -0.341238 logGD-logG0= -0.010735 tlogG= -0.048027 logG= -0.058762 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431158 ETOT(band)= -0.467655 trlgG= -0.589803 logG= -0.058762 TDE= -0.342945 logGD-logG0= -0.010045 tlogG= -0.047570 logG= -0.057615 Density= 0.428454 ETOT(band)= -0.467374 trlgG= -0.586315 logG= -0.057615 TDE= -0.341858 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001231 tlogG= -0.005470 logG= -0.006701 Density= 0.081169 ETOT(band)= -0.086337 trlgG= -0.107391 logG= -0.006701 TDE= -0.042561 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010288 tlogG= -0.047583 logG= -0.057871 logGD-logG0= -0.004860 tlogG= -0.022333 logG= -0.027193 Density= 0.429846 ETOT(band)= -0.467019 trlgG= -0.586249 logG= -0.057871 TDE= -0.341970 logGD-logG0= -0.010762 tlogG= -0.047282 logG= -0.058044 Density= 0.430314 ETOT(band)= -0.467001 trlgG= -0.586975 logG= -0.058044 TDE= -0.342190 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322758 ETOT(band)= -0.347902 trlgG= -0.434089 logG= -0.027193 TDE= -0.170203 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004819 tlogG= -0.022333 logG= -0.027152 Density= 0.214954 ETOT(band)= -0.231898 trlgG= -0.289139 logG= -0.027152 TDE= -0.170208 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005440 tlogG= -0.023688 logG= -0.029129 Density= 0.215323 ETOT(band)= -0.233562 trlgG= -0.293907 logG= -0.029129 TDE= -0.171209 logGD-logG0= -0.001211 tlogG= -0.005309 logG= -0.006520 Density= 0.081526 ETOT(band)= -0.085670 trlgG= -0.106234 logG= -0.006520 TDE= -0.042450 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010016 tlogG= -0.044635 logG= -0.054651 Density= 0.324165 ETOT(band)= -0.346602 trlgG= -0.432040 logG= -0.054651 TDE= -0.340689 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001701 tlogG= -0.007119 logG= -0.008820 Density= 0.072203 ETOT(band)= -0.076463 trlgG= -0.094861 logG= -0.008820 TDE= -0.056608 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.022298 logG= -0.027270 Density= 0.214191 ETOT(band)= -0.232383 trlgG= -0.289488 logG= -0.027270 TDE= -0.170121 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004941 tlogG= -0.022479 logG= -0.027420 Density= 0.214950 ETOT(band)= -0.231609 trlgG= -0.288094 logG= -0.027420 TDE= -0.170134 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001580 tlogG= -0.007590 logG= -0.009170 Density= 0.071474 ETOT(band)= -0.077328 trlgG= -0.096170 logG= -0.009170 TDE= -0.056722 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005105 tlogG= -0.021886 logG= -0.026991 Density= 0.216544 ETOT(band)= -0.230239 trlgG= -0.286544 logG= -0.026991 TDE= -0.170182 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.021213 logG= -0.026186 Density= 0.216266 ETOT(band)= -0.229990 trlgG= -0.285594 logG= -0.026186 TDE= -0.169757 logGD-logG0= -0.009866 tlogG= -0.044637 logG= -0.054502 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431451 ETOT(band)= -0.461981 trlgG= -0.574844 logG= -0.054502 TDE= -0.340324 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005015 tlogG= -0.021358 logG= -0.026373 Density= 0.216936 ETOT(band)= -0.229132 trlgG= -0.284341 logG= -0.026373 TDE= -0.169850 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.747202591526 eV TrLogG= -407.285938025000 eV Ratio to renormalize= 1.000400536858 rho-rho_expected=-0.008808282827 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964613605174888 0.940313925387415 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002338 tlogG= -0.011888 logG= -0.014226 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007051 Density= 0.053545 ETOT(band)= -0.058393 trlgG= -0.073283 logG= -0.014226 TDE= -0.085553 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002434 tlogG= -0.012087 logG= -0.014520 Density= 0.053567 ETOT(band)= -0.058537 trlgG= -0.073645 logG= -0.014520 TDE= -0.085633 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.012037 logG= -0.014653 Density= 0.053745 ETOT(band)= -0.058526 trlgG= -0.073703 logG= -0.014653 TDE= -0.085646 logGD-logG0= -0.001494 tlogG= -0.007814 logG= -0.009308 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035483 ETOT(band)= -0.038918 trlgG= -0.048618 logG= -0.009308 TDE= -0.056868 logGD-logG0= -0.001413 tlogG= -0.008047 logG= -0.009461 Density= 0.035304 ETOT(band)= -0.039069 trlgG= -0.048982 logG= -0.009461 TDE= -0.056992 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002345 tlogG= -0.011453 logG= -0.013798 Density= 0.053720 ETOT(band)= -0.058062 trlgG= -0.072518 logG= -0.013798 TDE= -0.085304 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002572 tlogG= -0.011989 logG= -0.014561 logGD-logG0= -0.005062 tlogG= -0.022467 logG= -0.027529 Density= 0.054118 ETOT(band)= -0.058289 trlgG= -0.073567 logG= -0.014561 TDE= -0.085787 Density= 0.108167 ETOT(band)= -0.115722 trlgG= -0.144601 logG= -0.027529 TDE= -0.170599 logGD-logG0= -0.004347 tlogG= -0.024060 logG= -0.028407 Density= 0.106089 ETOT(band)= -0.117145 trlgG= -0.146821 logG= -0.028407 TDE= -0.170913 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023960 logG= -0.029124 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108191 ETOT(band)= -0.116603 trlgG= -0.147138 logG= -0.029124 TDE= -0.171552 logGD-logG0= -0.005172 tlogG= -0.023440 logG= -0.028612 Density= 0.108094 ETOT(band)= -0.116366 trlgG= -0.146324 logG= -0.028612 TDE= -0.171201 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005306 tlogG= -0.024081 logG= -0.029387 Density= 0.107606 ETOT(band)= -0.117055 trlgG= -0.147552 logG= -0.029387 TDE= -0.171414 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004374 tlogG= -0.023983 logG= -0.028357 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022992 logG= -0.028122 Density= 0.106141 ETOT(band)= -0.117101 trlgG= -0.146708 logG= -0.028357 TDE= -0.170875 Density= 0.108098 ETOT(band)= -0.116095 trlgG= -0.145549 logG= -0.028122 TDE= -0.170919 logGD-logG0= -0.004570 tlogG= -0.024055 logG= -0.028625 Density= 0.106358 ETOT(band)= -0.117135 trlgG= -0.146832 logG= -0.028625 TDE= -0.170838 logGD-logG0= -0.005177 tlogG= -0.023773 logG= -0.028951 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.022180 logG= -0.027158 Density= 0.108323 ETOT(band)= -0.115416 trlgG= -0.143993 logG= -0.027158 TDE= -0.170438 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108140 ETOT(band)= -0.116528 trlgG= -0.146860 logG= -0.028951 TDE= -0.171422 logGD-logG0= -0.005020 tlogG= -0.024102 logG= -0.029123 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002641 tlogG= -0.011993 logG= -0.014634 Density= 0.053964 ETOT(band)= -0.058410 trlgG= -0.073688 logG= -0.014634 TDE= -0.085758 logGD-logG0= -0.004648 tlogG= -0.023214 logG= -0.027862 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107344 ETOT(band)= -0.117019 trlgG= -0.147175 logG= -0.029123 TDE= -0.171171 Density= 0.106707 ETOT(band)= -0.116603 trlgG= -0.145502 logG= -0.027862 TDE= -0.170444 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004857 tlogG= -0.023698 logG= -0.028554 logGD-logG0= -0.005123 tlogG= -0.023226 logG= -0.028349 Density= 0.107344 ETOT(band)= -0.116707 trlgG= -0.146432 logG= -0.028554 TDE= -0.170997 logGD-logG0= -0.005154 tlogG= -0.023615 logG= -0.028769 Density= 0.108166 ETOT(band)= -0.116413 trlgG= -0.146568 logG= -0.028769 TDE= -0.171325 Density= 0.108157 ETOT(band)= -0.116189 trlgG= -0.145905 logG= -0.028349 TDE= -0.171078 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.023912 logG= -0.029250 Density= 0.107715 ETOT(band)= -0.116921 trlgG= -0.147337 logG= -0.029250 TDE= -0.171389 logGD-logG0= -0.005024 tlogG= -0.023653 logG= -0.028677 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005348 tlogG= -0.024143 logG= -0.029491 logGD-logG0= -0.005316 tlogG= -0.024097 logG= -0.029412 Density= 0.107850 ETOT(band)= -0.116963 trlgG= -0.147616 logG= -0.029412 TDE= -0.171574 logGD-logG0= -0.005038 tlogG= -0.022418 logG= -0.027456 Density= 0.107601 ETOT(band)= -0.115947 trlgG= -0.144478 logG= -0.027456 TDE= -0.170269 logGD-logG0= -0.005256 tlogG= -0.023977 logG= -0.029233 logGD-logG0= -0.005313 tlogG= -0.023693 logG= -0.029007 Density= 0.107409 ETOT(band)= -0.117040 trlgG= -0.147278 logG= -0.029233 TDE= -0.171196 Density= 0.107197 ETOT(band)= -0.116987 trlgG= -0.146882 logG= -0.029007 TDE= -0.170921 logGD-logG0= -0.004890 tlogG= -0.022859 logG= -0.027749 Density= 0.107774 ETOT(band)= -0.117051 trlgG= -0.147741 logG= -0.029491 TDE= -0.171582 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106946 ETOT(band)= -0.116914 trlgG= -0.146330 logG= -0.028677 TDE= -0.170576 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107713 ETOT(band)= -0.116077 trlgG= -0.144964 logG= -0.027749 TDE= -0.170517 logGD-logG0= -0.005057 tlogG= -0.022744 logG= -0.027801 Density= 0.108212 ETOT(band)= -0.115859 trlgG= -0.145037 logG= -0.027801 TDE= -0.170785 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004705 tlogG= -0.023678 logG= -0.028383 Density= 0.106568 ETOT(band)= -0.116941 trlgG= -0.146415 logG= -0.028383 TDE= -0.170767 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004760 tlogG= -0.023509 logG= -0.028269 logGD-logG0= -0.004734 tlogG= -0.023696 logG= -0.028430 Density= 0.106743 ETOT(band)= -0.116795 trlgG= -0.145987 logG= -0.028269 TDE= -0.170540 Density= 0.106944 ETOT(band)= -0.116825 trlgG= -0.146521 logG= -0.028430 TDE= -0.171012 logGD-logG0= -0.004930 tlogG= -0.023902 logG= -0.028832 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.024078 logG= -0.028986 Density= 0.107023 ETOT(band)= -0.117079 trlgG= -0.147199 logG= -0.028986 TDE= -0.171174 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106725 ETOT(band)= -0.117097 trlgG= -0.146944 logG= -0.028832 TDE= -0.170924 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.023881 logG= -0.029032 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108211 ETOT(band)= -0.116539 trlgG= -0.146989 logG= -0.029032 TDE= -0.171505 logGD-logG0= -0.005328 tlogG= -0.023206 logG= -0.028534 Density= 0.107648 ETOT(band)= -0.116530 trlgG= -0.146185 logG= -0.028534 TDE= -0.170921 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005301 tlogG= -0.023880 logG= -0.029181 Density= 0.107879 ETOT(band)= -0.116789 trlgG= -0.147231 logG= -0.029181 TDE= -0.171434 logGD-logG0= -0.005137 tlogG= -0.022885 logG= -0.028022 Density= 0.107582 ETOT(band)= -0.116281 trlgG= -0.145375 logG= -0.028022 TDE= -0.170590 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.022861 logG= -0.027628 logGD-logG0= -0.009837 tlogG= -0.048263 logG= -0.058100 Density= 0.107265 ETOT(band)= -0.116220 trlgG= -0.145089 logG= -0.027628 TDE= -0.170541 Density= 0.214334 ETOT(band)= -0.234117 trlgG= -0.294474 logG= -0.058100 TDE= -0.342437 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.023589 logG= -0.028928 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107764 ETOT(band)= -0.116692 trlgG= -0.146815 logG= -0.028928 TDE= -0.171214 logGD-logG0= -0.009523 tlogG= -0.045780 logG= -0.055302 Density= 0.214953 ETOT(band)= -0.232275 trlgG= -0.290080 logG= -0.055302 TDE= -0.341147 logGD-logG0= -0.009160 tlogG= -0.047650 logG= -0.056810 Density= 0.212867 ETOT(band)= -0.234004 trlgG= -0.292965 logG= -0.056810 TDE= -0.341493 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009703 tlogG= -0.047178 logG= -0.056881 Density= 0.213704 ETOT(band)= -0.233708 trlgG= -0.292895 logG= -0.056881 TDE= -0.341765 logGD-logG0= -0.009802 tlogG= -0.045609 logG= -0.055411 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214301 ETOT(band)= -0.232623 trlgG= -0.290256 logG= -0.055411 TDE= -0.340892 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024068 logG= -0.029358 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107910 ETOT(band)= -0.116895 trlgG= -0.147528 logG= -0.029358 TDE= -0.171568 logGD-logG0= -0.009983 tlogG= -0.047919 logG= -0.057902 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213903 ETOT(band)= -0.234154 trlgG= -0.294161 logG= -0.057902 TDE= -0.342109 logGD-logG0= -0.009589 tlogG= -0.047950 logG= -0.057539 Density= 0.213210 ETOT(band)= -0.234216 trlgG= -0.293610 logG= -0.057539 TDE= -0.341578 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009863 tlogG= -0.047174 logG= -0.057037 Density= 0.213715 ETOT(band)= -0.233752 trlgG= -0.292687 logG= -0.057037 TDE= -0.341407 logGD-logG0= -0.009475 tlogG= -0.047467 logG= -0.056942 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214246 ETOT(band)= -0.233540 trlgG= -0.293027 logG= -0.056942 TDE= -0.342105 logGD-logG0= -0.010559 tlogG= -0.047767 logG= -0.058326 Density= 0.214688 ETOT(band)= -0.234043 trlgG= -0.294308 logG= -0.058326 TDE= -0.342220 logGD-logG0= -0.009907 tlogG= -0.045669 logG= -0.055576 Density= 0.215084 ETOT(band)= -0.232351 trlgG= -0.290073 logG= -0.055576 TDE= -0.340931 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010362 tlogG= -0.048000 logG= -0.058362 Density= 0.215003 ETOT(band)= -0.233952 trlgG= -0.294403 logG= -0.058362 TDE= -0.342435 logGD-logG0= -0.010223 tlogG= -0.047680 logG= -0.057903 Density= 0.213884 ETOT(band)= -0.234141 trlgG= -0.293913 logG= -0.057903 TDE= -0.341851 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007307 logG= -0.009006 Density= 0.035833 ETOT(band)= -0.038570 trlgG= -0.047921 logG= -0.009006 TDE= -0.056647 logGD-logG0= -0.001632 tlogG= -0.006995 logG= -0.008627 logGD-logG0= -0.010423 tlogG= -0.047807 logG= -0.058230 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214588 ETOT(band)= -0.234036 trlgG= -0.294138 logG= -0.058230 TDE= -0.342097 logGD-logG0= -0.010107 tlogG= -0.048049 logG= -0.058155 Density= 0.036184 ETOT(band)= -0.038122 trlgG= -0.047261 logG= -0.008627 TDE= -0.056540 Density= 0.214464 ETOT(band)= -0.234065 trlgG= -0.294224 logG= -0.058155 TDE= -0.342196 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010653 tlogG= -0.047548 logG= -0.058201 logGD-logG0= -0.010579 tlogG= -0.047961 logG= -0.058540 logGD-logG0= -0.010596 tlogG= -0.048035 logG= -0.058631 Density= 0.215823 ETOT(band)= -0.233662 trlgG= -0.294756 logG= -0.058540 TDE= -0.343017 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215037 ETOT(band)= -0.234088 trlgG= -0.294847 logG= -0.058631 TDE= -0.342627 Density= 0.215628 ETOT(band)= -0.233545 trlgG= -0.294193 logG= -0.058201 TDE= -0.342696 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010220 tlogG= -0.046433 logG= -0.056653 Density= 0.215148 ETOT(band)= -0.232915 trlgG= -0.291706 logG= -0.056653 TDE= -0.341519 logGD-logG0= -0.010514 tlogG= -0.048101 logG= -0.058616 Density= 0.215001 ETOT(band)= -0.234097 trlgG= -0.294820 logG= -0.058616 TDE= -0.342597 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.047329 logG= -0.057779 Density= 0.214196 ETOT(band)= -0.233935 trlgG= -0.293389 logG= -0.057779 TDE= -0.341605 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010617 tlogG= -0.047443 logG= -0.058060 Density= 0.215397 ETOT(band)= -0.233585 trlgG= -0.293952 logG= -0.058060 TDE= -0.342481 logGD-logG0= -0.010708 tlogG= -0.048166 logG= -0.058875 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002475 tlogG= -0.010846 logG= -0.013321 Density= 0.215352 ETOT(band)= -0.234115 trlgG= -0.295285 logG= -0.058875 TDE= -0.342977 logGD-logG0= -0.010633 tlogG= -0.047910 logG= -0.058543 logGD-logG0= -0.009831 tlogG= -0.047244 logG= -0.057075 Density= 0.214411 ETOT(band)= -0.233502 trlgG= -0.292801 logG= -0.057075 TDE= -0.341828 Density= 0.054046 ETOT(band)= -0.057583 trlgG= -0.071560 logG= -0.013321 TDE= -0.084984 Density= 0.215695 ETOT(band)= -0.233734 trlgG= -0.294758 logG= -0.058543 TDE= -0.342952 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010659 tlogG= -0.046900 logG= -0.057559 Density= 0.215359 ETOT(band)= -0.233308 trlgG= -0.293151 logG= -0.057559 TDE= -0.342162 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010132 tlogG= -0.047173 logG= -0.057305 Density= 0.215082 ETOT(band)= -0.233317 trlgG= -0.292724 logG= -0.057305 TDE= -0.341852 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.022998 logG= -0.027733 Density= 0.106842 ETOT(band)= -0.116472 trlgG= -0.145239 logG= -0.027733 TDE= -0.170377 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005014 tlogG= -0.021885 logG= -0.026899 logGD-logG0= -0.004928 tlogG= -0.021575 logG= -0.026502 Density= 0.108477 ETOT(band)= -0.114866 trlgG= -0.142865 logG= -0.026502 TDE= -0.170043 Density= 0.108287 ETOT(band)= -0.115232 trlgG= -0.143544 logG= -0.026899 TDE= -0.170231 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002415 tlogG= -0.010431 logG= -0.012846 Density= 0.054360 ETOT(band)= -0.057066 trlgG= -0.070714 logG= -0.012846 TDE= -0.084768 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004847 tlogG= -0.020999 logG= -0.025846 Density= 0.108673 ETOT(band)= -0.114278 trlgG= -0.141708 logG= -0.025846 TDE= -0.169639 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005094 tlogG= -0.021827 logG= -0.026921 Density= 0.107756 ETOT(band)= -0.115519 trlgG= -0.143603 logG= -0.026921 TDE= -0.170005 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.021704 logG= -0.026739 Density= 0.107898 ETOT(band)= -0.115327 trlgG= -0.143294 logG= -0.026739 TDE= -0.169949 logGD-logG0= -0.010064 tlogG= -0.043409 logG= -0.053473 Density= 0.216208 ETOT(band)= -0.230444 trlgG= -0.286566 logG= -0.053473 TDE= -0.340084 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001264 tlogG= -0.005750 logG= -0.007014 Density= 0.080611 ETOT(band)= -0.087387 trlgG= -0.109643 logG= -0.007014 TDE= -0.042740 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005858 logG= -0.007136 Density= 0.080622 ETOT(band)= -0.087603 trlgG= -0.110199 logG= -0.007136 TDE= -0.042805 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001283 tlogG= -0.005941 logG= -0.007224 Density= 0.080805 ETOT(band)= -0.087639 trlgG= -0.110396 logG= -0.007224 TDE= -0.042859 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001243 tlogG= -0.005622 logG= -0.006865 Density= 0.080812 ETOT(band)= -0.086958 trlgG= -0.108640 logG= -0.006865 TDE= -0.042663 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001282 tlogG= -0.005986 logG= -0.007268 Density= 0.081033 ETOT(band)= -0.087542 trlgG= -0.110449 logG= -0.007268 TDE= -0.042889 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005247 tlogG= -0.024011 logG= -0.029257 Density= 0.215614 ETOT(band)= -0.233834 trlgG= -0.294912 logG= -0.029257 TDE= -0.171550 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023809 logG= -0.029089 Density= 0.215263 ETOT(band)= -0.233739 trlgG= -0.294257 logG= -0.029089 TDE= -0.171398 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.007968 logG= -0.009408 Density= 0.070848 ETOT(band)= -0.077938 trlgG= -0.097479 logG= -0.009408 TDE= -0.056953 logGD-logG0= -0.005273 tlogG= -0.023493 logG= -0.028766 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215146 ETOT(band)= -0.233303 trlgG= -0.292993 logG= -0.028766 TDE= -0.171141 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.024009 logG= -0.029219 Density= 0.216281 ETOT(band)= -0.233317 trlgG= -0.294437 logG= -0.029219 TDE= -0.171568 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004321 tlogG= -0.024140 logG= -0.028461 Density= 0.212116 ETOT(band)= -0.234340 trlgG= -0.293766 logG= -0.028461 TDE= -0.170951 logGD-logG0= -0.004793 tlogG= -0.024015 logG= -0.028809 Density= 0.321466 ETOT(band)= -0.351069 trlgG= -0.441468 logG= -0.028809 TDE= -0.171199 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.023855 logG= -0.028951 Density= 0.215424 ETOT(band)= -0.233735 trlgG= -0.294360 logG= -0.028951 TDE= -0.171085 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.023425 logG= -0.028654 logGD-logG0= -0.005340 tlogG= -0.024132 logG= -0.029471 logGD-logG0= -0.004454 tlogG= -0.023749 logG= -0.028203 Density= 0.213030 ETOT(band)= -0.233553 trlgG= -0.291844 logG= -0.028203 TDE= -0.170753 Density= 0.215646 ETOT(band)= -0.233990 trlgG= -0.295327 logG= -0.029471 TDE= -0.171582 Density= 0.216125 ETOT(band)= -0.232635 trlgG= -0.292292 logG= -0.028654 TDE= -0.171161 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004598 tlogG= -0.023982 logG= -0.028580 Density= 0.212749 ETOT(band)= -0.234240 trlgG= -0.293570 logG= -0.028580 TDE= -0.170805 logGD-logG0= -0.001589 tlogG= -0.006877 logG= -0.008466 Density= 0.040834 ETOT(band)= -0.042669 trlgG= -0.052814 logG= -0.008466 TDE= -0.056454 logGD-logG0= -0.005099 tlogG= -0.023966 logG= -0.029065 logGD-logG0= -0.004509 tlogG= -0.023595 logG= -0.028105 Density= 0.212563 ETOT(band)= -0.233960 trlgG= -0.292819 logG= -0.028105 TDE= -0.170669 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214273 ETOT(band)= -0.234069 trlgG= -0.293997 logG= -0.029065 TDE= -0.171036 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004704 tlogG= -0.023377 logG= -0.028081 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321539 ETOT(band)= -0.350019 trlgG= -0.438888 logG= -0.028081 TDE= -0.170874 logGD-logG0= -0.005139 tlogG= -0.022449 logG= -0.027589 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216300 ETOT(band)= -0.231262 trlgG= -0.288689 logG= -0.027589 TDE= -0.170540 logGD-logG0= -0.005039 tlogG= -0.024166 logG= -0.029206 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005223 tlogG= -0.023772 logG= -0.028994 Density= 0.216205 ETOT(band)= -0.233015 trlgG= -0.293499 logG= -0.028994 TDE= -0.171400 logGD-logG0= -0.010734 tlogG= -0.048060 logG= -0.058794 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323139 ETOT(band)= -0.350951 trlgG= -0.442495 logG= -0.058794 TDE= -0.342967 Density= 0.214672 ETOT(band)= -0.234142 trlgG= -0.294614 logG= -0.029206 TDE= -0.171209 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.022978 logG= -0.028179 Density= 0.216154 ETOT(band)= -0.232060 trlgG= -0.290675 logG= -0.028179 TDE= -0.170874 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.023892 logG= -0.028830 Density= 0.213724 ETOT(band)= -0.233981 trlgG= -0.293087 logG= -0.028830 TDE= -0.170766 logGD-logG0= -0.010495 tlogG= -0.047255 logG= -0.057750 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004624 tlogG= -0.023899 logG= -0.028523 Density= 0.213221 ETOT(band)= -0.233831 trlgG= -0.292577 logG= -0.028523 TDE= -0.170757 logGD-logG0= -0.001192 tlogG= -0.005174 logG= -0.006366 Density= 0.062522 ETOT(band)= -0.067536 trlgG= -0.084232 logG= -0.006366 TDE= -0.042353 logGD-logG0= -0.010218 tlogG= -0.045650 logG= -0.055868 Density= 0.323940 ETOT(band)= -0.347910 trlgG= -0.435096 logG= -0.055868 TDE= -0.341403 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005050 tlogG= -0.023254 logG= -0.028305 logGD-logG0= -0.010449 tlogG= -0.047806 logG= -0.058255 Density= 0.324240 ETOT(band)= -0.349881 trlgG= -0.441153 logG= -0.058255 TDE= -0.342975 Density= 0.321603 ETOT(band)= -0.350527 trlgG= -0.439741 logG= -0.028305 TDE= -0.170827 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324024 ETOT(band)= -0.349513 trlgG= -0.439804 logG= -0.057750 TDE= -0.342583 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023254 logG= -0.028057 Density= 0.213439 ETOT(band)= -0.233584 trlgG= -0.292305 logG= -0.028057 TDE= -0.170718 logGD-logG0= -0.005270 tlogG= -0.024094 logG= -0.029364 Density= 0.322954 ETOT(band)= -0.351159 trlgG= -0.442798 logG= -0.029364 TDE= -0.171396 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005388 tlogG= -0.023908 logG= -0.029295 logGD-logG0= -0.005373 tlogG= -0.023967 logG= -0.029339 Density= 0.215574 ETOT(band)= -0.233736 trlgG= -0.294639 logG= -0.029295 TDE= -0.171406 logGD-logG0= -0.004988 tlogG= -0.022914 logG= -0.027903 Density= 0.214733 ETOT(band)= -0.232373 trlgG= -0.289772 logG= -0.027903 TDE= -0.170405 logGD-logG0= -0.004761 tlogG= -0.024016 logG= -0.028777 Density= 0.214055 ETOT(band)= -0.234059 trlgG= -0.294215 logG= -0.028777 TDE= -0.171203 logGD-logG0= -0.009725 tlogG= -0.046624 logG= -0.056349 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322606 ETOT(band)= -0.348975 trlgG= -0.436531 logG= -0.056349 TDE= -0.341557 logGD-logG0= -0.010492 tlogG= -0.046434 logG= -0.056926 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323552 ETOT(band)= -0.350624 trlgG= -0.442240 logG= -0.029339 TDE= -0.171454 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.024172 logG= -0.029237 Density= 0.322336 ETOT(band)= -0.351185 trlgG= -0.442146 logG= -0.029237 TDE= -0.171205 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323890 ETOT(band)= -0.348855 trlgG= -0.437717 logG= -0.056926 TDE= -0.342026 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004855 tlogG= -0.023846 logG= -0.028701 Density= 0.213510 ETOT(band)= -0.234119 trlgG= -0.293824 logG= -0.028701 TDE= -0.171022 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007591 logG= -0.009170 Density= 0.071477 ETOT(band)= -0.077338 trlgG= -0.096182 logG= -0.009170 TDE= -0.056729 logGD-logG0= -0.004673 tlogG= -0.023380 logG= -0.028053 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008999 tlogG= -0.048114 logG= -0.057113 Density= 0.214120 ETOT(band)= -0.233344 trlgG= -0.292419 logG= -0.028053 TDE= -0.170882 Density= 0.425418 ETOT(band)= -0.468277 trlgG= -0.586624 logG= -0.057113 TDE= -0.341727 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005436 tlogG= -0.023694 logG= -0.029129 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215337 ETOT(band)= -0.233588 trlgG= -0.293940 logG= -0.029129 TDE= -0.171228 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009490 tlogG= -0.046732 logG= -0.056221 Density= 0.427771 ETOT(band)= -0.466070 trlgG= -0.582007 logG= -0.056221 TDE= -0.341165 logGD-logG0= -0.005456 tlogG= -0.023365 logG= -0.028821 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215038 ETOT(band)= -0.233329 trlgG= -0.292799 logG= -0.028821 TDE= -0.170935 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009682 tlogG= -0.047858 logG= -0.057541 Density= 0.427907 ETOT(band)= -0.468101 trlgG= -0.588014 logG= -0.057541 TDE= -0.342212 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009544 tlogG= -0.046626 logG= -0.056171 Density= 0.427971 ETOT(band)= -0.466795 trlgG= -0.584617 logG= -0.056171 TDE= -0.341582 logGD-logG0= -0.010186 tlogG= -0.048168 logG= -0.058354 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429164 ETOT(band)= -0.468218 trlgG= -0.588788 logG= -0.058354 TDE= -0.342259 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047688 logG= -0.057984 Density= 0.428159 ETOT(band)= -0.468086 trlgG= -0.587346 logG= -0.057984 TDE= -0.341853 logGD-logG0= -0.005203 tlogG= -0.023966 logG= -0.029169 Density= 0.216315 ETOT(band)= -0.233213 trlgG= -0.294204 logG= -0.029169 TDE= -0.171541 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010530 tlogG= -0.048091 logG= -0.058620 logGD-logG0= -0.010801 tlogG= -0.047712 logG= -0.058513 Density= 0.430003 ETOT(band)= -0.468054 trlgG= -0.589227 logG= -0.058620 TDE= -0.342596 logGD-logG0= -0.010355 tlogG= -0.047976 logG= -0.058331 Density= 0.429067 ETOT(band)= -0.468179 trlgG= -0.588431 logG= -0.058331 TDE= -0.342097 Density= 0.430948 ETOT(band)= -0.467423 trlgG= -0.588875 logG= -0.058513 TDE= -0.342720 logGD-logG0= -0.009690 tlogG= -0.047670 logG= -0.057360 Density= 0.426548 ETOT(band)= -0.468310 trlgG= -0.587143 logG= -0.057360 TDE= -0.341743 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010698 tlogG= -0.047749 logG= -0.058447 Density= 0.430608 ETOT(band)= -0.467479 trlgG= -0.588515 logG= -0.058447 TDE= -0.342613 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.046420 logG= -0.056393 Density= 0.429401 ETOT(band)= -0.465505 trlgG= -0.581688 logG= -0.056393 TDE= -0.341278 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009644 tlogG= -0.047789 logG= -0.057433 logGD-logG0= -0.004928 tlogG= -0.021311 logG= -0.026240 Density= 0.162594 ETOT(band)= -0.172969 trlgG= -0.215983 logG= -0.026240 TDE= -0.169855 logGD-logG0= -0.010319 tlogG= -0.048241 logG= -0.058561 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009858 tlogG= -0.047873 logG= -0.057731 Density= 0.429000 ETOT(band)= -0.467881 trlgG= -0.587992 logG= -0.057731 TDE= -0.342200 Density= 0.429896 ETOT(band)= -0.468224 trlgG= -0.589555 logG= -0.058561 TDE= -0.342471 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427051 ETOT(band)= -0.467860 trlgG= -0.585996 logG= -0.057433 TDE= -0.341445 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010358 tlogG= -0.046950 logG= -0.057308 Density= 0.429744 ETOT(band)= -0.466424 trlgG= -0.584386 logG= -0.057308 TDE= -0.341565 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010726 tlogG= -0.048037 logG= -0.058763 logGD-logG0= -0.010039 tlogG= -0.047578 logG= -0.057617 Density= 0.428476 ETOT(band)= -0.467430 trlgG= -0.586387 logG= -0.057617 TDE= -0.341898 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431187 ETOT(band)= -0.467706 trlgG= -0.589870 logG= -0.058763 TDE= -0.342985 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023204 logG= -0.028395 Density= 0.214802 ETOT(band)= -0.232928 trlgG= -0.291303 logG= -0.028395 TDE= -0.170591 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010757 tlogG= -0.047288 logG= -0.058045 Density= 0.430341 ETOT(band)= -0.467053 trlgG= -0.587042 logG= -0.058045 TDE= -0.342229 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.047590 logG= -0.057872 logGD-logG0= -0.004856 tlogG= -0.022337 logG= -0.027193 Density= 0.322774 ETOT(band)= -0.347942 trlgG= -0.434139 logG= -0.027193 TDE= -0.170222 Density= 0.429871 ETOT(band)= -0.467072 trlgG= -0.586317 logG= -0.057872 TDE= -0.342010 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010010 tlogG= -0.044642 logG= -0.054651 Density= 0.324183 ETOT(band)= -0.346639 trlgG= -0.432085 logG= -0.054651 TDE= -0.340725 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005471 logG= -0.006700 Density= 0.081174 ETOT(band)= -0.086346 trlgG= -0.107402 logG= -0.006700 TDE= -0.042566 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001700 tlogG= -0.007120 logG= -0.008820 Density= 0.072207 ETOT(band)= -0.076472 trlgG= -0.094870 logG= -0.008820 TDE= -0.056614 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004938 tlogG= -0.022482 logG= -0.027420 Density= 0.214960 ETOT(band)= -0.231636 trlgG= -0.288127 logG= -0.027420 TDE= -0.170154 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004816 tlogG= -0.022336 logG= -0.027152 Density= 0.214964 ETOT(band)= -0.231926 trlgG= -0.289173 logG= -0.027152 TDE= -0.170227 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001210 tlogG= -0.005310 logG= -0.006520 Density= 0.081531 ETOT(band)= -0.085679 trlgG= -0.106243 logG= -0.006520 TDE= -0.042455 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005101 tlogG= -0.021890 logG= -0.026990 Density= 0.216556 ETOT(band)= -0.230263 trlgG= -0.286572 logG= -0.026990 TDE= -0.170200 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005011 tlogG= -0.021361 logG= -0.026372 Density= 0.216949 ETOT(band)= -0.229155 trlgG= -0.284368 logG= -0.026372 TDE= -0.169868 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009858 tlogG= -0.044644 logG= -0.054502 Density= 0.431474 ETOT(band)= -0.462033 trlgG= -0.574907 logG= -0.054502 TDE= -0.340363 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004970 tlogG= -0.021216 logG= -0.026186 Density= 0.216278 ETOT(band)= -0.230015 trlgG= -0.285623 logG= -0.026186 TDE= -0.169775 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004969 tlogG= -0.022302 logG= -0.027270 Density= 0.214200 ETOT(band)= -0.232411 trlgG= -0.289524 logG= -0.027270 TDE= -0.170140 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.784777563504 eV TrLogG= -407.341857369084 eV Ratio to renormalize= 1.000344190158 rho-rho_expected=-0.007569578110 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 40) Finished k-point number 82 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964583669289158 0.940254221567370 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002617 tlogG= -0.012036 logG= -0.014652 Density= 0.053743 ETOT(band)= -0.058523 trlgG= -0.073698 logG= -0.014652 TDE= -0.085640 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002573 tlogG= -0.011987 logG= -0.014561 Density= 0.054116 ETOT(band)= -0.058286 trlgG= -0.073563 logG= -0.014561 TDE= -0.085781 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.023974 logG= -0.029232 Density= 0.107405 ETOT(band)= -0.117033 trlgG= -0.147268 logG= -0.029232 TDE= -0.171185 logGD-logG0= -0.005156 tlogG= -0.023612 logG= -0.028768 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108162 ETOT(band)= -0.116406 trlgG= -0.146560 logG= -0.028768 TDE= -0.171315 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005304 tlogG= -0.023877 logG= -0.029181 Density= 0.107875 ETOT(band)= -0.116782 trlgG= -0.147222 logG= -0.029181 TDE= -0.171423 logGD-logG0= -0.005341 tlogG= -0.023586 logG= -0.028927 Density= 0.107760 ETOT(band)= -0.116686 trlgG= -0.146806 logG= -0.028927 TDE= -0.171204 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009162 tlogG= -0.047645 logG= -0.056808 Density= 0.212862 ETOT(band)= -0.233988 trlgG= -0.292944 logG= -0.056808 TDE= -0.341471 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001414 tlogG= -0.008046 logG= -0.009460 Density= 0.035303 ETOT(band)= -0.039066 trlgG= -0.048979 logG= -0.009460 TDE= -0.056988 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004348 tlogG= -0.024058 logG= -0.028406 Density= 0.106087 ETOT(band)= -0.117136 trlgG= -0.146810 logG= -0.028406 TDE= -0.170902 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002339 tlogG= -0.011887 logG= -0.014226 Density= 0.053544 ETOT(band)= -0.058389 trlgG= -0.073278 logG= -0.014226 TDE= -0.085548 logGD-logG0= -0.002434 tlogG= -0.012085 logG= -0.014520 logGD-logG0= -0.004649 tlogG= -0.023212 logG= -0.027861 Density= 0.106705 ETOT(band)= -0.116595 trlgG= -0.145492 logG= -0.027861 TDE= -0.170433 Density= 0.053566 ETOT(band)= -0.058533 trlgG= -0.073641 logG= -0.014520 TDE= -0.085628 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004732 trlgG= -0.005854 logG= -0.001050 TDE= -0.007051 logGD-logG0= -0.002346 tlogG= -0.011451 logG= -0.013798 Density= 0.053719 ETOT(band)= -0.058058 trlgG= -0.072514 logG= -0.013798 TDE= -0.085299 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.022996 logG= -0.027732 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 Density= 0.106840 ETOT(band)= -0.116464 trlgG= -0.145229 logG= -0.027732 TDE= -0.170366 logGD-logG0= -0.001495 tlogG= -0.007813 logG= -0.009308 Density= 0.035482 ETOT(band)= -0.038916 trlgG= -0.048615 logG= -0.009308 TDE= -0.056865 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004761 tlogG= -0.023507 logG= -0.028268 Density= 0.106740 ETOT(band)= -0.116787 trlgG= -0.145977 logG= -0.028268 TDE= -0.170529 logGD-logG0= -0.010067 tlogG= -0.043405 logG= -0.053472 Density= 0.216202 ETOT(band)= -0.230431 trlgG= -0.286550 logG= -0.053472 TDE= -0.340065 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005180 tlogG= -0.023771 logG= -0.028950 Density= 0.108136 ETOT(band)= -0.116522 trlgG= -0.146851 logG= -0.028950 TDE= -0.171412 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004375 tlogG= -0.023981 logG= -0.028356 Density= 0.106139 ETOT(band)= -0.117093 trlgG= -0.146697 logG= -0.028356 TDE= -0.170864 logGD-logG0= -0.005307 tlogG= -0.024079 logG= -0.029386 Density= 0.107603 ETOT(band)= -0.117047 trlgG= -0.147542 logG= -0.029386 TDE= -0.171403 logGD-logG0= -0.005174 tlogG= -0.023437 logG= -0.028612 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108090 ETOT(band)= -0.116359 trlgG= -0.146315 logG= -0.028612 TDE= -0.171191 logGD-logG0= -0.005132 tlogG= -0.022990 logG= -0.028122 Density= 0.108095 ETOT(band)= -0.116089 trlgG= -0.145540 logG= -0.028122 TDE= -0.170909 logGD-logG0= -0.004572 tlogG= -0.024053 logG= -0.028624 logGD-logG0= -0.005167 tlogG= -0.023957 logG= -0.029124 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106356 ETOT(band)= -0.117126 trlgG= -0.146821 logG= -0.028624 TDE= -0.170827 logGD-logG0= -0.004981 tlogG= -0.022178 logG= -0.027158 Density= 0.108319 ETOT(band)= -0.115410 trlgG= -0.143985 logG= -0.027158 TDE= -0.170429 Density= 0.108187 ETOT(band)= -0.116597 trlgG= -0.147130 logG= -0.029124 TDE= -0.171542 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004858 tlogG= -0.023695 logG= -0.028554 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005063 tlogG= -0.022465 logG= -0.027528 Density= 0.108164 ETOT(band)= -0.115715 trlgG= -0.144593 logG= -0.027528 TDE= -0.170589 Density= 0.107341 ETOT(band)= -0.116700 trlgG= -0.146423 logG= -0.028554 TDE= -0.170987 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002642 tlogG= -0.011991 logG= -0.014634 logGD-logG0= -0.005351 tlogG= -0.024140 logG= -0.029490 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107770 ETOT(band)= -0.117044 trlgG= -0.147732 logG= -0.029490 TDE= -0.171572 Density= 0.053962 ETOT(band)= -0.058407 trlgG= -0.073683 logG= -0.014634 TDE= -0.085753 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005154 tlogG= -0.023878 logG= -0.029032 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108207 ETOT(band)= -0.116532 trlgG= -0.146981 logG= -0.029032 TDE= -0.171495 logGD-logG0= -0.005025 tlogG= -0.023651 logG= -0.028676 Density= 0.106943 ETOT(band)= -0.116907 trlgG= -0.146320 logG= -0.028676 TDE= -0.170565 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005125 tlogG= -0.023223 logG= -0.028348 logGD-logG0= -0.005059 tlogG= -0.022741 logG= -0.027801 Density= 0.108208 ETOT(band)= -0.115853 trlgG= -0.145029 logG= -0.027801 TDE= -0.170775 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108153 ETOT(band)= -0.116183 trlgG= -0.145896 logG= -0.028348 TDE= -0.171068 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023676 logG= -0.028382 logGD-logG0= -0.005039 tlogG= -0.022416 logG= -0.027455 Density= 0.106565 ETOT(band)= -0.116933 trlgG= -0.146405 logG= -0.028382 TDE= -0.170756 logGD-logG0= -0.005138 tlogG= -0.022883 logG= -0.028021 Density= 0.107579 ETOT(band)= -0.116274 trlgG= -0.145366 logG= -0.028021 TDE= -0.170580 logGD-logG0= -0.005318 tlogG= -0.024094 logG= -0.029411 Density= 0.107847 ETOT(band)= -0.116956 trlgG= -0.147607 logG= -0.029411 TDE= -0.171563 logGD-logG0= -0.004930 tlogG= -0.023901 logG= -0.028831 logGD-logG0= -0.005022 tlogG= -0.024100 logG= -0.029122 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106722 ETOT(band)= -0.117089 trlgG= -0.146933 logG= -0.028831 TDE= -0.170914 Density= 0.107341 ETOT(band)= -0.117011 trlgG= -0.147165 logG= -0.029122 TDE= -0.171161 logGD-logG0= -0.002416 tlogG= -0.010430 logG= -0.012846 Density= 0.054358 ETOT(band)= -0.057063 trlgG= -0.070711 logG= -0.012846 TDE= -0.084764 logGD-logG0= -0.004891 tlogG= -0.022857 logG= -0.027748 Density= 0.107710 ETOT(band)= -0.116070 trlgG= -0.144955 logG= -0.027748 TDE= -0.170507 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004909 tlogG= -0.024076 logG= -0.028985 Density= 0.107020 ETOT(band)= -0.117071 trlgG= -0.147189 logG= -0.028985 TDE= -0.171163 logGD-logG0= -0.005315 tlogG= -0.023691 logG= -0.029006 Density= 0.107194 ETOT(band)= -0.116980 trlgG= -0.146872 logG= -0.029006 TDE= -0.170911 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.023910 logG= -0.029250 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107711 ETOT(band)= -0.116914 trlgG= -0.147327 logG= -0.029250 TDE= -0.171379 logGD-logG0= -0.005329 tlogG= -0.023204 logG= -0.028534 Density= 0.107644 ETOT(band)= -0.116523 trlgG= -0.146176 logG= -0.028534 TDE= -0.170910 Density= 0.107599 ETOT(band)= -0.115940 trlgG= -0.144469 logG= -0.027455 TDE= -0.170259 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004736 tlogG= -0.023693 logG= -0.028430 Density= 0.106941 ETOT(band)= -0.116817 trlgG= -0.146511 logG= -0.028430 TDE= -0.171002 logGD-logG0= -0.004768 tlogG= -0.022859 logG= -0.027627 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107263 ETOT(band)= -0.116213 trlgG= -0.145079 logG= -0.027627 TDE= -0.170531 logGD-logG0= -0.005293 tlogG= -0.024065 logG= -0.029358 Density= 0.107906 ETOT(band)= -0.116889 trlgG= -0.147519 logG= -0.029358 TDE= -0.171558 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009841 tlogG= -0.048258 logG= -0.058099 Density= 0.214328 ETOT(band)= -0.234102 trlgG= -0.294455 logG= -0.058099 TDE= -0.342416 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009706 tlogG= -0.047173 logG= -0.056879 logGD-logG0= -0.009805 tlogG= -0.045605 logG= -0.055410 Density= 0.213699 ETOT(band)= -0.233692 trlgG= -0.292875 logG= -0.056879 TDE= -0.341744 Density= 0.214296 ETOT(band)= -0.232608 trlgG= -0.290237 logG= -0.055410 TDE= -0.340871 logGD-logG0= -0.009986 tlogG= -0.047914 logG= -0.057901 logGD-logG0= -0.009526 tlogG= -0.045775 logG= -0.055301 Density= 0.214947 ETOT(band)= -0.232260 trlgG= -0.290061 logG= -0.055301 TDE= -0.341127 Density= 0.213898 ETOT(band)= -0.234139 trlgG= -0.294141 logG= -0.057901 TDE= -0.342088 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009591 tlogG= -0.047947 logG= -0.057538 logGD-logG0= -0.009864 tlogG= -0.047171 logG= -0.057035 Density= 0.213205 ETOT(band)= -0.234200 trlgG= -0.293589 logG= -0.057538 TDE= -0.341556 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213709 ETOT(band)= -0.233737 trlgG= -0.292667 logG= -0.057035 TDE= -0.341386 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009479 tlogG= -0.047462 logG= -0.056941 logGD-logG0= -0.010562 tlogG= -0.047762 logG= -0.058324 Density= 0.214241 ETOT(band)= -0.233525 trlgG= -0.293007 logG= -0.056941 TDE= -0.342084 logGD-logG0= -0.004930 tlogG= -0.021573 logG= -0.026502 Density= 0.108474 ETOT(band)= -0.114859 trlgG= -0.142857 logG= -0.026502 TDE= -0.170033 Density= 0.214682 ETOT(band)= -0.234028 trlgG= -0.294288 logG= -0.058324 TDE= -0.342199 logGD-logG0= -0.010517 tlogG= -0.048097 logG= -0.058614 Density= 0.214994 ETOT(band)= -0.234083 trlgG= -0.294800 logG= -0.058614 TDE= -0.342576 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010365 tlogG= -0.047996 logG= -0.058361 Density= 0.214996 ETOT(band)= -0.233938 trlgG= -0.294384 logG= -0.058361 TDE= -0.342414 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010426 tlogG= -0.047802 logG= -0.058229 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214581 ETOT(band)= -0.234021 trlgG= -0.294119 logG= -0.058229 TDE= -0.342076 logGD-logG0= -0.010110 tlogG= -0.048044 logG= -0.058154 Density= 0.214457 ETOT(band)= -0.234050 trlgG= -0.294205 logG= -0.058154 TDE= -0.342176 logGD-logG0= -0.001633 tlogG= -0.006994 logG= -0.008627 Density= 0.036183 ETOT(band)= -0.038120 trlgG= -0.047259 logG= -0.008627 TDE= -0.056537 logGD-logG0= -0.010451 tlogG= -0.047326 logG= -0.057777 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214190 ETOT(band)= -0.233920 trlgG= -0.293370 logG= -0.057777 TDE= -0.341584 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010225 tlogG= -0.047676 logG= -0.057901 Density= 0.213878 ETOT(band)= -0.234126 trlgG= -0.293893 logG= -0.057901 TDE= -0.341830 logGD-logG0= -0.010598 tlogG= -0.048031 logG= -0.058629 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215030 ETOT(band)= -0.234074 trlgG= -0.294828 logG= -0.058629 TDE= -0.342606 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010583 tlogG= -0.047955 logG= -0.058538 logGD-logG0= -0.010657 tlogG= -0.047542 logG= -0.058200 Density= 0.215621 ETOT(band)= -0.233531 trlgG= -0.294175 logG= -0.058200 TDE= -0.342675 Density= 0.215816 ETOT(band)= -0.233649 trlgG= -0.294738 logG= -0.058538 TDE= -0.342996 logGD-logG0= -0.009910 tlogG= -0.045665 logG= -0.055575 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215078 ETOT(band)= -0.232337 trlgG= -0.290054 logG= -0.055575 TDE= -0.340911 logGD-logG0= -0.010223 tlogG= -0.046429 logG= -0.056652 logGD-logG0= -0.002476 tlogG= -0.010845 logG= -0.013321 Density= 0.054044 ETOT(band)= -0.057579 trlgG= -0.071556 logG= -0.013321 TDE= -0.084979 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215141 ETOT(band)= -0.232901 trlgG= -0.291688 logG= -0.056652 TDE= -0.341499 logGD-logG0= -0.010620 tlogG= -0.047439 logG= -0.058059 logGD-logG0= -0.010711 tlogG= -0.048162 logG= -0.058873 Density= 0.215390 ETOT(band)= -0.233571 trlgG= -0.293934 logG= -0.058059 TDE= -0.342460 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215344 ETOT(band)= -0.234101 trlgG= -0.295266 logG= -0.058873 TDE= -0.342956 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010662 tlogG= -0.046896 logG= -0.057558 logGD-logG0= -0.010638 tlogG= -0.047904 logG= -0.058541 Density= 0.215353 ETOT(band)= -0.233294 trlgG= -0.293133 logG= -0.057558 TDE= -0.342142 Density= 0.215688 ETOT(band)= -0.233721 trlgG= -0.294740 logG= -0.058541 TDE= -0.342931 logGD-logG0= -0.009834 tlogG= -0.047239 logG= -0.057073 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214405 ETOT(band)= -0.233487 trlgG= -0.292782 logG= -0.057073 TDE= -0.341808 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007307 logG= -0.009006 Density= 0.035832 ETOT(band)= -0.038568 trlgG= -0.047918 logG= -0.009006 TDE= -0.056644 logGD-logG0= -0.010135 tlogG= -0.047168 logG= -0.057303 Density= 0.215076 ETOT(band)= -0.233303 trlgG= -0.292705 logG= -0.057303 TDE= -0.341832 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.021883 logG= -0.026899 Density= 0.108284 ETOT(band)= -0.115225 trlgG= -0.143536 logG= -0.026899 TDE= -0.170222 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004849 tlogG= -0.020997 logG= -0.025846 Density= 0.108670 ETOT(band)= -0.114272 trlgG= -0.141701 logG= -0.025846 TDE= -0.169630 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005096 tlogG= -0.021825 logG= -0.026921 Density= 0.107753 ETOT(band)= -0.115512 trlgG= -0.143595 logG= -0.026921 TDE= -0.169995 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005036 tlogG= -0.021702 logG= -0.026739 Density= 0.107895 ETOT(band)= -0.115320 trlgG= -0.143286 logG= -0.026739 TDE= -0.169939 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001283 tlogG= -0.005941 logG= -0.007224 Density= 0.080802 ETOT(band)= -0.087634 trlgG= -0.110389 logG= -0.007224 TDE= -0.042857 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005041 tlogG= -0.024164 logG= -0.029205 Density= 0.214666 ETOT(band)= -0.234128 trlgG= -0.294594 logG= -0.029205 TDE= -0.171199 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.023769 logG= -0.028994 Density= 0.216197 ETOT(band)= -0.233002 trlgG= -0.293482 logG= -0.028994 TDE= -0.171390 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005390 tlogG= -0.023905 logG= -0.029295 Density= 0.215566 ETOT(band)= -0.233723 trlgG= -0.294621 logG= -0.029295 TDE= -0.171395 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005438 tlogG= -0.023691 logG= -0.029129 Density= 0.215330 ETOT(band)= -0.233574 trlgG= -0.293922 logG= -0.029129 TDE= -0.171218 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.021309 logG= -0.026240 Density= 0.162589 ETOT(band)= -0.172960 trlgG= -0.215971 logG= -0.026240 TDE= -0.169846 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009002 tlogG= -0.048110 logG= -0.057111 Density= 0.425409 ETOT(band)= -0.468244 trlgG= -0.586582 logG= -0.057111 TDE= -0.341705 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.007968 logG= -0.009408 Density= 0.070847 ETOT(band)= -0.077933 trlgG= -0.097472 logG= -0.009408 TDE= -0.056950 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004511 tlogG= -0.023593 logG= -0.028104 Density= 0.212559 ETOT(band)= -0.233943 trlgG= -0.292797 logG= -0.028104 TDE= -0.170658 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004990 tlogG= -0.022913 logG= -0.027902 Density= 0.214728 ETOT(band)= -0.232358 trlgG= -0.289754 logG= -0.027902 TDE= -0.170395 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001589 tlogG= -0.006877 logG= -0.008466 Density= 0.040833 ETOT(band)= -0.042667 trlgG= -0.052812 logG= -0.008466 TDE= -0.056451 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004322 tlogG= -0.024138 logG= -0.028460 Density= 0.212113 ETOT(band)= -0.234323 trlgG= -0.293744 logG= -0.028460 TDE= -0.170940 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004455 tlogG= -0.023746 logG= -0.028202 Density= 0.213026 ETOT(band)= -0.233537 trlgG= -0.291823 logG= -0.028202 TDE= -0.170742 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001701 tlogG= -0.007119 logG= -0.008820 Density= 0.072205 ETOT(band)= -0.076467 trlgG= -0.094865 logG= -0.008820 TDE= -0.056611 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004625 tlogG= -0.023897 logG= -0.028522 Density= 0.213217 ETOT(band)= -0.233815 trlgG= -0.292556 logG= -0.028522 TDE= -0.170747 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004939 tlogG= -0.022480 logG= -0.027420 Density= 0.214954 ETOT(band)= -0.231621 trlgG= -0.288109 logG= -0.027420 TDE= -0.170143 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001192 tlogG= -0.005173 logG= -0.006366 Density= 0.062521 ETOT(band)= -0.067532 trlgG= -0.084227 logG= -0.006366 TDE= -0.042351 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009862 tlogG= -0.044640 logG= -0.054501 Density= 0.431462 ETOT(band)= -0.462005 trlgG= -0.574872 logG= -0.054501 TDE= -0.340342 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.021359 logG= -0.026372 Density= 0.216942 ETOT(band)= -0.229143 trlgG= -0.284353 logG= -0.026372 TDE= -0.169859 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001264 tlogG= -0.005750 logG= -0.007014 logGD-logG0= -0.001279 tlogG= -0.005857 logG= -0.007136 Density= 0.080609 ETOT(band)= -0.087382 trlgG= -0.109636 logG= -0.007014 TDE= -0.042737 Density= 0.080620 ETOT(band)= -0.087598 trlgG= -0.110192 logG= -0.007136 TDE= -0.042803 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001243 tlogG= -0.005621 logG= -0.006865 Density= 0.080810 ETOT(band)= -0.086953 trlgG= -0.108633 logG= -0.006865 TDE= -0.042661 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.021214 logG= -0.026186 Density= 0.216271 ETOT(band)= -0.230001 trlgG= -0.285607 logG= -0.026186 TDE= -0.169765 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001282 tlogG= -0.005985 logG= -0.007268 Density= 0.081030 ETOT(band)= -0.087537 trlgG= -0.110443 logG= -0.007268 TDE= -0.042887 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005249 tlogG= -0.024008 logG= -0.029257 Density= 0.215606 ETOT(band)= -0.233821 trlgG= -0.294893 logG= -0.029257 TDE= -0.171540 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001211 tlogG= -0.005309 logG= -0.006520 Density= 0.081528 ETOT(band)= -0.085674 trlgG= -0.106238 logG= -0.006520 TDE= -0.042452 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005274 tlogG= -0.023491 logG= -0.028765 Density= 0.215139 ETOT(band)= -0.233289 trlgG= -0.292974 logG= -0.028765 TDE= -0.171130 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.022299 logG= -0.027270 Density= 0.214195 ETOT(band)= -0.232396 trlgG= -0.289504 logG= -0.027270 TDE= -0.170130 logGD-logG0= -0.005282 tlogG= -0.023806 logG= -0.029088 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215256 ETOT(band)= -0.233725 trlgG= -0.294239 logG= -0.029088 TDE= -0.171387 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005213 tlogG= -0.024006 logG= -0.029219 Density= 0.216273 ETOT(band)= -0.233305 trlgG= -0.294420 logG= -0.029219 TDE= -0.171557 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004795 tlogG= -0.024013 logG= -0.028808 Density= 0.321456 ETOT(band)= -0.351046 trlgG= -0.441438 logG= -0.028808 TDE= -0.171188 logGD-logG0= -0.001580 tlogG= -0.007591 logG= -0.009170 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071475 ETOT(band)= -0.077333 trlgG= -0.096176 logG= -0.009170 TDE= -0.056725 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005098 tlogG= -0.023853 logG= -0.028950 Density= 0.215417 ETOT(band)= -0.233721 trlgG= -0.294342 logG= -0.028950 TDE= -0.171075 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010454 tlogG= -0.047800 logG= -0.058254 Density= 0.324228 ETOT(band)= -0.349861 trlgG= -0.441127 logG= -0.058254 TDE= -0.342955 logGD-logG0= -0.004599 tlogG= -0.023980 logG= -0.028579 logGD-logG0= -0.005206 tlogG= -0.023963 logG= -0.029169 logGD-logG0= -0.005342 tlogG= -0.024128 logG= -0.029471 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216307 ETOT(band)= -0.233200 trlgG= -0.294187 logG= -0.029169 TDE= -0.171531 Density= 0.215638 ETOT(band)= -0.233977 trlgG= -0.295309 logG= -0.029471 TDE= -0.171572 Density= 0.212745 ETOT(band)= -0.234223 trlgG= -0.293549 logG= -0.028579 TDE= -0.170795 logGD-logG0= -0.005203 tlogG= -0.022975 logG= -0.028179 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.022447 logG= -0.027588 Density= 0.216293 ETOT(band)= -0.231248 trlgG= -0.288673 logG= -0.027588 TDE= -0.170530 Density= 0.216147 ETOT(band)= -0.232047 trlgG= -0.290658 logG= -0.028179 TDE= -0.170864 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004938 tlogG= -0.023891 logG= -0.028829 Density= 0.213719 ETOT(band)= -0.233966 trlgG= -0.293067 logG= -0.028829 TDE= -0.170755 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.023422 logG= -0.028654 Density= 0.216118 ETOT(band)= -0.232622 trlgG= -0.292274 logG= -0.028654 TDE= -0.171151 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004706 tlogG= -0.023375 logG= -0.028081 Density= 0.321530 ETOT(band)= -0.349996 trlgG= -0.438859 logG= -0.028081 TDE= -0.170863 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.047249 logG= -0.057749 logGD-logG0= -0.005067 tlogG= -0.024169 logG= -0.029236 Density= 0.322326 ETOT(band)= -0.351163 trlgG= -0.442118 logG= -0.029236 TDE= -0.171194 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324012 ETOT(band)= -0.349493 trlgG= -0.439778 logG= -0.057749 TDE= -0.342563 logGD-logG0= -0.010221 tlogG= -0.045646 logG= -0.055867 Density= 0.323930 ETOT(band)= -0.347890 trlgG= -0.435070 logG= -0.055867 TDE= -0.341383 logGD-logG0= -0.005052 tlogG= -0.023252 logG= -0.028304 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321594 ETOT(band)= -0.350505 trlgG= -0.439712 logG= -0.028304 TDE= -0.170817 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004762 tlogG= -0.024014 logG= -0.028776 Density= 0.214049 ETOT(band)= -0.234043 trlgG= -0.294195 logG= -0.028776 TDE= -0.171193 logGD-logG0= -0.005101 tlogG= -0.023964 logG= -0.029065 Density= 0.214267 ETOT(band)= -0.234054 trlgG= -0.293977 logG= -0.029065 TDE= -0.171026 logGD-logG0= -0.010737 tlogG= -0.048055 logG= -0.058792 logGD-logG0= -0.005103 tlogG= -0.021887 logG= -0.026990 Density= 0.216550 ETOT(band)= -0.230250 trlgG= -0.286556 logG= -0.026990 TDE= -0.170190 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323128 ETOT(band)= -0.350930 trlgG= -0.442467 logG= -0.058792 TDE= -0.342946 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010496 tlogG= -0.046429 logG= -0.056925 Density= 0.323879 ETOT(band)= -0.348835 trlgG= -0.437691 logG= -0.056925 TDE= -0.342006 logGD-logG0= -0.004805 tlogG= -0.023251 logG= -0.028056 logGD-logG0= -0.004857 tlogG= -0.023843 logG= -0.028700 Density= 0.213505 ETOT(band)= -0.234103 trlgG= -0.293803 logG= -0.028700 TDE= -0.171011 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213434 ETOT(band)= -0.233568 trlgG= -0.292284 logG= -0.028056 TDE= -0.170707 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005457 tlogG= -0.023363 logG= -0.028820 Density= 0.215032 ETOT(band)= -0.233315 trlgG= -0.292780 logG= -0.028820 TDE= -0.170924 logGD-logG0= -0.005191 tlogG= -0.023203 logG= -0.028394 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214796 ETOT(band)= -0.232914 trlgG= -0.291284 logG= -0.028394 TDE= -0.170581 logGD-logG0= -0.005375 tlogG= -0.023964 logG= -0.029339 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323541 ETOT(band)= -0.350604 trlgG= -0.442213 logG= -0.029339 TDE= -0.171444 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009728 tlogG= -0.046620 logG= -0.056348 logGD-logG0= -0.009686 tlogG= -0.047853 logG= -0.057539 Density= 0.322597 ETOT(band)= -0.348953 trlgG= -0.436503 logG= -0.056348 TDE= -0.341537 Density= 0.427895 ETOT(band)= -0.468071 trlgG= -0.587974 logG= -0.057539 TDE= -0.342191 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009492 tlogG= -0.046727 logG= -0.056219 logGD-logG0= -0.005271 tlogG= -0.024092 logG= -0.029363 Density= 0.427761 ETOT(band)= -0.466039 trlgG= -0.581967 logG= -0.056219 TDE= -0.341144 Density= 0.322943 ETOT(band)= -0.351138 trlgG= -0.442769 logG= -0.029363 TDE= -0.171385 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010299 tlogG= -0.047683 logG= -0.057982 Density= 0.428147 ETOT(band)= -0.468056 trlgG= -0.587307 logG= -0.057982 TDE= -0.341832 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009548 tlogG= -0.046621 logG= -0.056169 logGD-logG0= -0.010189 tlogG= -0.048163 logG= -0.058352 Density= 0.427961 ETOT(band)= -0.466764 trlgG= -0.584577 logG= -0.056169 TDE= -0.341561 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429151 ETOT(band)= -0.468189 trlgG= -0.588749 logG= -0.058352 TDE= -0.342238 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010358 tlogG= -0.047971 logG= -0.058329 Density= 0.429054 ETOT(band)= -0.468150 trlgG= -0.588392 logG= -0.058329 TDE= -0.342076 logGD-logG0= -0.009692 tlogG= -0.047666 logG= -0.057358 logGD-logG0= -0.010532 tlogG= -0.048086 logG= -0.058619 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429989 ETOT(band)= -0.468026 trlgG= -0.589189 logG= -0.058619 TDE= -0.342575 Density= 0.426538 ETOT(band)= -0.468278 trlgG= -0.587101 logG= -0.057358 TDE= -0.341722 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009862 tlogG= -0.047868 logG= -0.057730 logGD-logG0= -0.010700 tlogG= -0.047745 logG= -0.058446 Density= 0.430594 ETOT(band)= -0.467451 trlgG= -0.588478 logG= -0.058446 TDE= -0.342592 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428988 ETOT(band)= -0.467851 trlgG= -0.587953 logG= -0.057730 TDE= -0.342179 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009646 tlogG= -0.047785 logG= -0.057431 Density= 0.427040 ETOT(band)= -0.467829 trlgG= -0.585955 logG= -0.057431 TDE= -0.341424 logGD-logG0= -0.010806 tlogG= -0.047706 logG= -0.058512 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430934 ETOT(band)= -0.467395 trlgG= -0.588839 logG= -0.058512 TDE= -0.342699 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010322 tlogG= -0.048237 logG= -0.058559 Density= 0.429882 ETOT(band)= -0.468196 trlgG= -0.589517 logG= -0.058559 TDE= -0.342450 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009977 tlogG= -0.046415 logG= -0.056391 Density= 0.429390 ETOT(band)= -0.465476 trlgG= -0.581650 logG= -0.056391 TDE= -0.341257 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010361 tlogG= -0.046946 logG= -0.057306 Density= 0.429732 ETOT(band)= -0.466395 trlgG= -0.584348 logG= -0.057306 TDE= -0.341544 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010042 tlogG= -0.047573 logG= -0.057616 Density= 0.428464 ETOT(band)= -0.467400 trlgG= -0.586348 logG= -0.057616 TDE= -0.341877 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010731 tlogG= -0.048031 logG= -0.058762 Density= 0.431172 ETOT(band)= -0.467679 trlgG= -0.589833 logG= -0.058762 TDE= -0.342964 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.044638 logG= -0.054651 Density= 0.324174 ETOT(band)= -0.346619 trlgG= -0.432060 logG= -0.054651 TDE= -0.340706 logGD-logG0= -0.004674 tlogG= -0.023378 logG= -0.028052 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214115 ETOT(band)= -0.233329 trlgG= -0.292400 logG= -0.028052 TDE= -0.170871 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010760 tlogG= -0.047284 logG= -0.058044 Density= 0.430327 ETOT(band)= -0.467025 trlgG= -0.587005 logG= -0.058044 TDE= -0.342209 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010285 tlogG= -0.047585 logG= -0.057871 Density= 0.429858 ETOT(band)= -0.467044 trlgG= -0.586279 logG= -0.057871 TDE= -0.341989 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005470 logG= -0.006700 Density= 0.081171 ETOT(band)= -0.086341 trlgG= -0.107396 logG= -0.006700 TDE= -0.042564 logGD-logG0= -0.004858 tlogG= -0.022335 logG= -0.027193 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.322766 ETOT(band)= -0.347921 trlgG= -0.434112 logG= -0.027193 TDE= -0.170212 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004818 tlogG= -0.022334 logG= -0.027152 Density= 0.214959 ETOT(band)= -0.231911 trlgG= -0.289154 logG= -0.027152 TDE= -0.170217 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.764672797397 eV TrLogG= -407.311360106562 eV Ratio to renormalize= 1.000373217215 rho-rho_expected=-0.008207715462 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 45) Finished k-point number 91 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964593540001863 0.940295637568619 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004648 tlogG= -0.023216 logG= -0.027863 logGD-logG0= -0.004374 tlogG= -0.023985 logG= -0.028358 Density= 0.106142 ETOT(band)= -0.117104 trlgG= -0.146712 logG= -0.028358 TDE= -0.170878 Density= 0.106707 ETOT(band)= -0.116606 trlgG= -0.145506 logG= -0.027863 TDE= -0.170447 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004735 tlogG= -0.023000 logG= -0.027734 Density= 0.106843 ETOT(band)= -0.116475 trlgG= -0.145243 logG= -0.027734 TDE= -0.170380 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001632 tlogG= -0.006996 logG= -0.008628 Density= 0.036184 ETOT(band)= -0.038123 trlgG= -0.047263 logG= -0.008628 TDE= -0.056541 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002414 tlogG= -0.010432 logG= -0.012846 Density= 0.054360 ETOT(band)= -0.057067 trlgG= -0.070716 logG= -0.012846 TDE= -0.084770 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004927 tlogG= -0.021576 logG= -0.026503 Density= 0.108478 ETOT(band)= -0.114868 trlgG= -0.142869 logG= -0.026503 TDE= -0.170046 logGD-logG0= -0.004846 tlogG= -0.021001 logG= -0.025847 Density= 0.108674 ETOT(band)= -0.114281 trlgG= -0.141712 logG= -0.025847 TDE= -0.169642 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005034 tlogG= -0.021706 logG= -0.026740 Density= 0.107899 ETOT(band)= -0.115330 trlgG= -0.143299 logG= -0.026740 TDE= -0.169952 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002345 tlogG= -0.011453 logG= -0.013798 Density= 0.053721 ETOT(band)= -0.058063 trlgG= -0.072521 logG= -0.013798 TDE= -0.085306 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000197 tlogG= -0.000853 logG= -0.001050 Density= 0.004541 ETOT(band)= -0.004733 trlgG= -0.005854 logG= -0.001050 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.005313 tlogG= -0.023695 logG= -0.029008 Density= 0.107198 ETOT(band)= -0.116990 trlgG= -0.146886 logG= -0.029008 TDE= -0.170925 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.023227 logG= -0.028350 Density= 0.108158 ETOT(band)= -0.116192 trlgG= -0.145909 logG= -0.028350 TDE= -0.171081 logGD-logG0= -0.002338 tlogG= -0.011889 logG= -0.014227 Density= 0.053546 ETOT(band)= -0.058394 trlgG= -0.073285 logG= -0.014227 TDE= -0.085555 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002616 tlogG= -0.012038 logG= -0.014653 Density= 0.053745 ETOT(band)= -0.058528 trlgG= -0.073705 logG= -0.014653 TDE= -0.085647 logGD-logG0= -0.002433 tlogG= -0.012087 logG= -0.014521 Density= 0.053568 ETOT(band)= -0.058539 trlgG= -0.073648 logG= -0.014521 TDE= -0.085635 logGD-logG0= -0.004734 tlogG= -0.023697 logG= -0.028432 Density= 0.106944 ETOT(band)= -0.116828 trlgG= -0.146526 logG= -0.028432 TDE= -0.171016 logGD-logG0= -0.005137 tlogG= -0.022886 logG= -0.028023 Density= 0.107583 ETOT(band)= -0.116284 trlgG= -0.145379 logG= -0.028023 TDE= -0.170594 logGD-logG0= -0.004705 tlogG= -0.023679 logG= -0.028384 Density= 0.106568 ETOT(band)= -0.116944 trlgG= -0.146420 logG= -0.028384 TDE= -0.170770 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005057 tlogG= -0.022745 logG= -0.027802 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108213 ETOT(band)= -0.115862 trlgG= -0.145042 logG= -0.027802 TDE= -0.170788 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.024080 logG= -0.028987 Density= 0.107023 ETOT(band)= -0.117082 trlgG= -0.147204 logG= -0.028987 TDE= -0.171177 logGD-logG0= -0.001494 tlogG= -0.007815 logG= -0.009309 Density= 0.035483 ETOT(band)= -0.038919 trlgG= -0.048620 logG= -0.009309 TDE= -0.056870 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001413 tlogG= -0.008048 logG= -0.009461 Density= 0.035304 ETOT(band)= -0.039070 trlgG= -0.048984 logG= -0.009461 TDE= -0.056993 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005061 tlogG= -0.022469 logG= -0.027530 Density= 0.108168 ETOT(band)= -0.115725 trlgG= -0.144605 logG= -0.027530 TDE= -0.170602 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002572 tlogG= -0.011990 logG= -0.014562 Density= 0.054119 ETOT(band)= -0.058291 trlgG= -0.073569 logG= -0.014562 TDE= -0.085788 logGD-logG0= -0.005129 tlogG= -0.022994 logG= -0.028124 Density= 0.108099 ETOT(band)= -0.116098 trlgG= -0.145553 logG= -0.028124 TDE= -0.170922 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023775 logG= -0.028952 logGD-logG0= -0.005172 tlogG= -0.023442 logG= -0.028613 Density= 0.108094 ETOT(band)= -0.116369 trlgG= -0.146328 logG= -0.028613 TDE= -0.171205 Density= 0.108141 ETOT(band)= -0.116531 trlgG= -0.146864 logG= -0.028952 TDE= -0.171426 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002641 tlogG= -0.011993 logG= -0.014634 logGD-logG0= -0.004978 tlogG= -0.022181 logG= -0.027160 Density= 0.053965 ETOT(band)= -0.058411 trlgG= -0.073690 logG= -0.014634 TDE= -0.085760 logGD-logG0= -0.004347 tlogG= -0.024062 logG= -0.028408 Density= 0.108324 ETOT(band)= -0.115419 trlgG= -0.143997 logG= -0.027160 TDE= -0.170442 logGD-logG0= -0.004570 tlogG= -0.024056 logG= -0.028627 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106359 ETOT(band)= -0.117138 trlgG= -0.146836 logG= -0.028627 TDE= -0.170841 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023961 logG= -0.029125 logGD-logG0= -0.004889 tlogG= -0.022861 logG= -0.027750 Density= 0.107714 ETOT(band)= -0.116080 trlgG= -0.144968 logG= -0.027750 TDE= -0.170521 Density= 0.108191 ETOT(band)= -0.116606 trlgG= -0.147143 logG= -0.029125 TDE= -0.171556 Density= 0.106090 ETOT(band)= -0.117148 trlgG= -0.146826 logG= -0.028408 TDE= -0.170916 logGD-logG0= -0.005315 tlogG= -0.024098 logG= -0.029413 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107851 ETOT(band)= -0.116966 trlgG= -0.147621 logG= -0.029413 TDE= -0.171577 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.023654 logG= -0.028678 logGD-logG0= -0.005020 tlogG= -0.024104 logG= -0.029124 Density= 0.106946 ETOT(band)= -0.116917 trlgG= -0.146335 logG= -0.028678 TDE= -0.170579 Density= 0.107345 ETOT(band)= -0.117021 trlgG= -0.147179 logG= -0.029124 TDE= -0.171175 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005153 tlogG= -0.023617 logG= -0.028770 logGD-logG0= -0.005038 tlogG= -0.022419 logG= -0.027457 logGD-logG0= -0.005338 tlogG= -0.023913 logG= -0.029252 Density= 0.107602 ETOT(band)= -0.115950 trlgG= -0.144483 logG= -0.027457 TDE= -0.170273 Density= 0.107716 ETOT(band)= -0.116924 trlgG= -0.147341 logG= -0.029252 TDE= -0.171393 logGD-logG0= -0.005348 tlogG= -0.024144 logG= -0.029492 Density= 0.107775 ETOT(band)= -0.117053 trlgG= -0.147746 logG= -0.029492 TDE= -0.171586 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.023883 logG= -0.029034 Density= 0.108167 ETOT(band)= -0.116415 trlgG= -0.146573 logG= -0.028770 TDE= -0.171329 Density= 0.108212 ETOT(band)= -0.116542 trlgG= -0.146994 logG= -0.029034 TDE= -0.171509 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005256 tlogG= -0.023978 logG= -0.029234 Density= 0.107409 ETOT(band)= -0.117043 trlgG= -0.147282 logG= -0.029234 TDE= -0.171200 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004760 tlogG= -0.023510 logG= -0.028271 Density= 0.106743 ETOT(band)= -0.116798 trlgG= -0.145992 logG= -0.028271 TDE= -0.170543 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.023699 logG= -0.028556 logGD-logG0= -0.005306 tlogG= -0.024082 logG= -0.029388 Density= 0.107607 ETOT(band)= -0.117057 trlgG= -0.147556 logG= -0.029388 TDE= -0.171417 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107345 ETOT(band)= -0.116710 trlgG= -0.146437 logG= -0.028556 TDE= -0.171001 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004930 tlogG= -0.023904 logG= -0.028833 Density= 0.106725 ETOT(band)= -0.117100 trlgG= -0.146948 logG= -0.028833 TDE= -0.170928 logGD-logG0= -0.005328 tlogG= -0.023207 logG= -0.028535 Density= 0.107648 ETOT(band)= -0.116533 trlgG= -0.146190 logG= -0.028535 TDE= -0.170924 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004766 tlogG= -0.022863 logG= -0.027629 logGD-logG0= -0.005301 tlogG= -0.023881 logG= -0.029182 Density= 0.107266 ETOT(band)= -0.116223 trlgG= -0.145093 logG= -0.027629 TDE= -0.170545 Density= 0.107879 ETOT(band)= -0.116792 trlgG= -0.147235 logG= -0.029182 TDE= -0.171437 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005338 tlogG= -0.023591 logG= -0.028929 Density= 0.107765 ETOT(band)= -0.116695 trlgG= -0.146820 logG= -0.028929 TDE= -0.171218 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024070 logG= -0.029360 Density= 0.107910 ETOT(band)= -0.116898 trlgG= -0.147532 logG= -0.029360 TDE= -0.171572 logGD-logG0= -0.009837 tlogG= -0.048266 logG= -0.058103 Density= 0.214335 ETOT(band)= -0.234123 trlgG= -0.294483 logG= -0.058103 TDE= -0.342444 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009522 tlogG= -0.045783 logG= -0.055305 Density= 0.214954 ETOT(band)= -0.232281 trlgG= -0.290089 logG= -0.055305 TDE= -0.341154 logGD-logG0= -0.009702 tlogG= -0.047181 logG= -0.056884 logGD-logG0= -0.009982 tlogG= -0.047923 logG= -0.057905 Density= 0.213905 ETOT(band)= -0.234160 trlgG= -0.294170 logG= -0.057905 TDE= -0.342116 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213705 ETOT(band)= -0.233713 trlgG= -0.292904 logG= -0.056884 TDE= -0.341772 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009801 tlogG= -0.045612 logG= -0.055414 logGD-logG0= -0.009589 tlogG= -0.047953 logG= -0.057542 Density= 0.214302 ETOT(band)= -0.232629 trlgG= -0.290265 logG= -0.055414 TDE= -0.340898 logGD-logG0= -0.009160 tlogG= -0.047652 logG= -0.056812 Density= 0.213212 ETOT(band)= -0.234221 trlgG= -0.293619 logG= -0.057542 TDE= -0.341585 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212868 ETOT(band)= -0.234010 trlgG= -0.292974 logG= -0.056812 TDE= -0.341499 logGD-logG0= -0.009863 tlogG= -0.047177 logG= -0.057040 Density= 0.213716 ETOT(band)= -0.233758 trlgG= -0.292696 logG= -0.057040 TDE= -0.341414 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009475 tlogG= -0.047470 logG= -0.056945 Density= 0.214248 ETOT(band)= -0.233546 trlgG= -0.293036 logG= -0.056945 TDE= -0.342111 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010514 tlogG= -0.048104 logG= -0.058618 Density= 0.215002 ETOT(band)= -0.234103 trlgG= -0.294828 logG= -0.058618 TDE= -0.342604 logGD-logG0= -0.010559 tlogG= -0.047770 logG= -0.058329 logGD-logG0= -0.010106 tlogG= -0.048052 logG= -0.058158 Density= 0.214690 ETOT(band)= -0.234048 trlgG= -0.294317 logG= -0.058329 TDE= -0.342227 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.047810 logG= -0.058233 logGD-logG0= -0.010595 tlogG= -0.048038 logG= -0.058633 Density= 0.215038 ETOT(band)= -0.234094 trlgG= -0.294856 logG= -0.058633 TDE= -0.342634 Density= 0.214465 ETOT(band)= -0.234070 trlgG= -0.294233 logG= -0.058158 TDE= -0.342203 Density= 0.214589 ETOT(band)= -0.234042 trlgG= -0.294147 logG= -0.058233 TDE= -0.342104 logGD-logG0= -0.009906 tlogG= -0.045672 logG= -0.055579 Density= 0.215085 ETOT(band)= -0.232357 trlgG= -0.290081 logG= -0.055579 TDE= -0.340938 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010362 tlogG= -0.048003 logG= -0.058365 Density= 0.215005 ETOT(band)= -0.233958 trlgG= -0.294412 logG= -0.058365 TDE= -0.342442 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.047332 logG= -0.057781 logGD-logG0= -0.010578 tlogG= -0.047964 logG= -0.058542 Density= 0.215825 ETOT(band)= -0.233668 trlgG= -0.294765 logG= -0.058542 TDE= -0.343024 Density= 0.214197 ETOT(band)= -0.233941 trlgG= -0.293398 logG= -0.057781 TDE= -0.341612 logGD-logG0= -0.001699 tlogG= -0.007308 logG= -0.009006 Density= 0.035833 ETOT(band)= -0.038571 trlgG= -0.047923 logG= -0.009006 TDE= -0.056648 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010223 tlogG= -0.047683 logG= -0.057905 Density= 0.213885 ETOT(band)= -0.234147 trlgG= -0.293922 logG= -0.057905 TDE= -0.341858 logGD-logG0= -0.010652 tlogG= -0.047552 logG= -0.058203 logGD-logG0= -0.010220 tlogG= -0.046436 logG= -0.056655 Density= 0.215149 ETOT(band)= -0.232921 trlgG= -0.291715 logG= -0.056655 TDE= -0.341526 Density= 0.215630 ETOT(band)= -0.233551 trlgG= -0.294202 logG= -0.058203 TDE= -0.342703 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010708 tlogG= -0.048169 logG= -0.058877 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215353 ETOT(band)= -0.234121 trlgG= -0.295294 logG= -0.058877 TDE= -0.342984 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010632 tlogG= -0.047913 logG= -0.058545 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215697 ETOT(band)= -0.233740 trlgG= -0.294767 logG= -0.058545 TDE= -0.342959 logGD-logG0= -0.010617 tlogG= -0.047445 logG= -0.058062 Density= 0.215398 ETOT(band)= -0.233591 trlgG= -0.293961 logG= -0.058062 TDE= -0.342488 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009830 tlogG= -0.047247 logG= -0.057077 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214413 ETOT(band)= -0.233508 trlgG= -0.292810 logG= -0.057077 TDE= -0.341835 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010659 tlogG= -0.046903 logG= -0.057562 Density= 0.215361 ETOT(band)= -0.233313 trlgG= -0.293160 logG= -0.057562 TDE= -0.342169 logGD-logG0= -0.010132 tlogG= -0.047175 logG= -0.057307 Density= 0.215084 ETOT(band)= -0.233323 trlgG= -0.292733 logG= -0.057307 TDE= -0.341860 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002475 tlogG= -0.010846 logG= -0.013322 Density= 0.054046 ETOT(band)= -0.057584 trlgG= -0.071562 logG= -0.013322 TDE= -0.084985 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005013 tlogG= -0.021887 logG= -0.026900 Density= 0.108288 ETOT(band)= -0.115235 trlgG= -0.143549 logG= -0.026900 TDE= -0.170235 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005094 tlogG= -0.021829 logG= -0.026923 Density= 0.107756 ETOT(band)= -0.115522 trlgG= -0.143608 logG= -0.026923 TDE= -0.170008 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010063 tlogG= -0.043412 logG= -0.053475 Density= 0.216210 ETOT(band)= -0.230450 trlgG= -0.286575 logG= -0.053475 TDE= -0.340091 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004454 tlogG= -0.023750 logG= -0.028204 Density= 0.213031 ETOT(band)= -0.233559 trlgG= -0.291853 logG= -0.028204 TDE= -0.170757 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004509 tlogG= -0.023597 logG= -0.028106 Density= 0.212564 ETOT(band)= -0.233966 trlgG= -0.292827 logG= -0.028106 TDE= -0.170672 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001210 tlogG= -0.005310 logG= -0.006520 Density= 0.081531 ETOT(band)= -0.085681 trlgG= -0.106247 logG= -0.006520 TDE= -0.042455 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001700 tlogG= -0.007121 logG= -0.008821 Density= 0.072207 ETOT(band)= -0.076473 trlgG= -0.094873 logG= -0.008821 TDE= -0.056615 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004969 tlogG= -0.022303 logG= -0.027272 Density= 0.214201 ETOT(band)= -0.232417 trlgG= -0.289532 logG= -0.027272 TDE= -0.170144 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005011 tlogG= -0.021363 logG= -0.026373 Density= 0.216951 ETOT(band)= -0.229161 trlgG= -0.284376 logG= -0.026373 TDE= -0.169871 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005100 tlogG= -0.021891 logG= -0.026992 Density= 0.216558 ETOT(band)= -0.230269 trlgG= -0.286581 logG= -0.026992 TDE= -0.170203 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004969 tlogG= -0.021218 logG= -0.026187 Density= 0.216279 ETOT(band)= -0.230020 trlgG= -0.285632 logG= -0.026187 TDE= -0.169778 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001243 tlogG= -0.005622 logG= -0.006865 Density= 0.080813 ETOT(band)= -0.086961 trlgG= -0.108643 logG= -0.006865 TDE= -0.042664 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023968 logG= -0.029067 Density= 0.214274 ETOT(band)= -0.234075 trlgG= -0.294006 logG= -0.029067 TDE= -0.171040 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005229 tlogG= -0.023426 logG= -0.028655 Density= 0.216127 ETOT(band)= -0.232640 trlgG= -0.292300 logG= -0.028655 TDE= -0.171165 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001263 tlogG= -0.005751 logG= -0.007014 Density= 0.080611 ETOT(band)= -0.087389 trlgG= -0.109646 logG= -0.007014 TDE= -0.042741 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005201 tlogG= -0.022980 logG= -0.028180 Density= 0.216155 ETOT(band)= -0.232066 trlgG= -0.290684 logG= -0.028180 TDE= -0.170877 logGD-logG0= -0.001283 tlogG= -0.005942 logG= -0.007225 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005858 logG= -0.007137 Density= 0.080623 ETOT(band)= -0.087605 trlgG= -0.110202 logG= -0.007137 TDE= -0.042806 Density= 0.080805 ETOT(band)= -0.087641 trlgG= -0.110399 logG= -0.007225 TDE= -0.042860 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004760 tlogG= -0.024018 logG= -0.028778 Density= 0.214056 ETOT(band)= -0.234064 trlgG= -0.294223 logG= -0.028778 TDE= -0.171207 logGD-logG0= -0.004672 tlogG= -0.023382 logG= -0.028054 Density= 0.214122 ETOT(band)= -0.233350 trlgG= -0.292428 logG= -0.028054 TDE= -0.170885 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005986 logG= -0.007268 Density= 0.081034 ETOT(band)= -0.087544 trlgG= -0.110453 logG= -0.007268 TDE= -0.042890 logGD-logG0= -0.005190 tlogG= -0.023206 logG= -0.028396 Density= 0.214803 ETOT(band)= -0.232934 trlgG= -0.291312 logG= -0.028396 TDE= -0.170594 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.023255 logG= -0.028058 Density= 0.213440 ETOT(band)= -0.233590 trlgG= -0.292314 logG= -0.028058 TDE= -0.170721 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001440 tlogG= -0.007969 logG= -0.009409 Density= 0.070849 ETOT(band)= -0.077940 trlgG= -0.097482 logG= -0.009409 TDE= -0.056954 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005280 tlogG= -0.023811 logG= -0.029090 Density= 0.215265 ETOT(band)= -0.233745 trlgG= -0.294266 logG= -0.029090 TDE= -0.171401 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005246 tlogG= -0.024013 logG= -0.029259 Density= 0.215615 ETOT(band)= -0.233840 trlgG= -0.294921 logG= -0.029259 TDE= -0.171554 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004321 tlogG= -0.024142 logG= -0.028462 Density= 0.212118 ETOT(band)= -0.234346 trlgG= -0.293775 logG= -0.028462 TDE= -0.170955 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001589 tlogG= -0.006878 logG= -0.008466 Density= 0.040834 ETOT(band)= -0.042670 trlgG= -0.052816 logG= -0.008466 TDE= -0.056455 logGD-logG0= -0.001192 tlogG= -0.005174 logG= -0.006366 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004624 tlogG= -0.023901 logG= -0.028524 Density= 0.213223 ETOT(band)= -0.233837 trlgG= -0.292585 logG= -0.028524 TDE= -0.170760 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062523 ETOT(band)= -0.067538 trlgG= -0.084235 logG= -0.006366 TDE= -0.042354 logGD-logG0= -0.005210 tlogG= -0.024011 logG= -0.029220 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.216282 ETOT(band)= -0.233323 trlgG= -0.294445 logG= -0.029220 TDE= -0.171571 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005096 tlogG= -0.023856 logG= -0.028952 Density= 0.215426 ETOT(band)= -0.233741 trlgG= -0.294369 logG= -0.028952 TDE= -0.171089 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.022916 logG= -0.027904 Density= 0.214735 ETOT(band)= -0.232378 trlgG= -0.289781 logG= -0.027904 TDE= -0.170408 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.024017 logG= -0.028810 Density= 0.321468 ETOT(band)= -0.351077 trlgG= -0.441481 logG= -0.028810 TDE= -0.171202 logGD-logG0= -0.005273 tlogG= -0.023494 logG= -0.028767 Density= 0.215147 ETOT(band)= -0.233309 trlgG= -0.293002 logG= -0.028767 TDE= -0.171144 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005339 tlogG= -0.024133 logG= -0.029473 Density= 0.215647 ETOT(band)= -0.233996 trlgG= -0.295336 logG= -0.029473 TDE= -0.171586 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001579 tlogG= -0.007592 logG= -0.009171 logGD-logG0= -0.005139 tlogG= -0.022451 logG= -0.027590 Density= 0.071477 ETOT(band)= -0.077340 trlgG= -0.096185 logG= -0.009171 TDE= -0.056730 Density= 0.216301 ETOT(band)= -0.231267 trlgG= -0.288698 logG= -0.027590 TDE= -0.170543 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004704 tlogG= -0.023378 logG= -0.028083 logGD-logG0= -0.010218 tlogG= -0.045653 logG= -0.055870 Density= 0.323942 ETOT(band)= -0.347919 trlgG= -0.435109 logG= -0.055870 TDE= -0.341409 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010448 tlogG= -0.047809 logG= -0.058257 logGD-logG0= -0.004938 tlogG= -0.023893 logG= -0.028831 Density= 0.213725 ETOT(band)= -0.233987 trlgG= -0.293096 logG= -0.028831 TDE= -0.170769 Density= 0.321541 ETOT(band)= -0.350027 trlgG= -0.438901 logG= -0.028083 TDE= -0.170877 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324242 ETOT(band)= -0.349889 trlgG= -0.441166 logG= -0.058257 TDE= -0.342982 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005065 tlogG= -0.024173 logG= -0.029238 Density= 0.322338 ETOT(band)= -0.351193 trlgG= -0.442160 logG= -0.029238 TDE= -0.171208 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004598 tlogG= -0.023983 logG= -0.028581 Density= 0.212750 ETOT(band)= -0.234246 trlgG= -0.293578 logG= -0.028581 TDE= -0.170809 logGD-logG0= -0.005222 tlogG= -0.023773 logG= -0.028996 logGD-logG0= -0.010494 tlogG= -0.047258 logG= -0.057752 Density= 0.216206 ETOT(band)= -0.233021 trlgG= -0.293508 logG= -0.028996 TDE= -0.171403 Density= 0.324026 ETOT(band)= -0.349521 trlgG= -0.439817 logG= -0.057752 TDE= -0.342590 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005203 tlogG= -0.023968 logG= -0.029170 Density= 0.216316 ETOT(band)= -0.233219 trlgG= -0.294213 logG= -0.029170 TDE= -0.171544 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.024168 logG= -0.029207 Density= 0.214674 ETOT(band)= -0.234148 trlgG= -0.294622 logG= -0.029207 TDE= -0.171213 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010733 tlogG= -0.048063 logG= -0.058796 Density= 0.323142 ETOT(band)= -0.350960 trlgG= -0.442508 logG= -0.058796 TDE= -0.342974 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.046438 logG= -0.056929 Density= 0.323892 ETOT(band)= -0.348864 trlgG= -0.437730 logG= -0.056929 TDE= -0.342033 logGD-logG0= -0.009724 tlogG= -0.046627 logG= -0.056352 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322608 ETOT(band)= -0.348984 trlgG= -0.436544 logG= -0.056352 TDE= -0.341564 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005387 tlogG= -0.023909 logG= -0.029296 Density= 0.215575 ETOT(band)= -0.233742 trlgG= -0.294648 logG= -0.029296 TDE= -0.171409 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005435 tlogG= -0.023695 logG= -0.029131 Density= 0.215339 ETOT(band)= -0.233594 trlgG= -0.293949 logG= -0.029131 TDE= -0.171232 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004855 tlogG= -0.023847 logG= -0.028702 Density= 0.213511 ETOT(band)= -0.234125 trlgG= -0.293833 logG= -0.028702 TDE= -0.171025 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023969 logG= -0.029341 logGD-logG0= -0.004938 tlogG= -0.022484 logG= -0.027421 Density= 0.214961 ETOT(band)= -0.231642 trlgG= -0.288136 logG= -0.027421 TDE= -0.170157 Density= 0.323554 ETOT(band)= -0.350633 trlgG= -0.442253 logG= -0.029341 TDE= -0.171458 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.023256 logG= -0.028306 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009682 tlogG= -0.047861 logG= -0.057543 Density= 0.427909 ETOT(band)= -0.468113 trlgG= -0.588032 logG= -0.057543 TDE= -0.342219 Density= 0.321605 ETOT(band)= -0.350536 trlgG= -0.439754 logG= -0.028306 TDE= -0.170831 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005456 tlogG= -0.023366 logG= -0.028822 Density= 0.215040 ETOT(band)= -0.233335 trlgG= -0.292808 logG= -0.028822 TDE= -0.170938 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005270 tlogG= -0.024095 logG= -0.029365 Density= 0.322956 ETOT(band)= -0.351167 trlgG= -0.442811 logG= -0.029365 TDE= -0.171399 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009490 tlogG= -0.046734 logG= -0.056224 Density= 0.427773 ETOT(band)= -0.466082 trlgG= -0.582025 logG= -0.056224 TDE= -0.341172 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008999 tlogG= -0.048117 logG= -0.057116 Density= 0.425420 ETOT(band)= -0.468289 trlgG= -0.586642 logG= -0.057116 TDE= -0.341733 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047690 logG= -0.057986 Density= 0.428162 ETOT(band)= -0.468097 trlgG= -0.587364 logG= -0.057986 TDE= -0.341860 logGD-logG0= -0.009544 tlogG= -0.046629 logG= -0.056173 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427974 ETOT(band)= -0.466806 trlgG= -0.584635 logG= -0.056173 TDE= -0.341588 logGD-logG0= -0.009690 tlogG= -0.047672 logG= -0.057363 Density= 0.426550 ETOT(band)= -0.468321 trlgG= -0.587161 logG= -0.057363 TDE= -0.341750 logGD-logG0= -0.010355 tlogG= -0.047979 logG= -0.058334 Density= 0.429070 ETOT(band)= -0.468191 trlgG= -0.588449 logG= -0.058334 TDE= -0.342104 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010319 tlogG= -0.048244 logG= -0.058563 logGD-logG0= -0.009858 tlogG= -0.047876 logG= -0.057734 Density= 0.429899 ETOT(band)= -0.468235 trlgG= -0.589573 logG= -0.058563 TDE= -0.342478 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429003 ETOT(band)= -0.467892 trlgG= -0.588009 logG= -0.057734 TDE= -0.342206 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010186 tlogG= -0.048171 logG= -0.058356 Density= 0.429166 ETOT(band)= -0.468229 trlgG= -0.588805 logG= -0.058356 TDE= -0.342266 logGD-logG0= -0.009644 tlogG= -0.047791 logG= -0.057436 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427053 ETOT(band)= -0.467872 trlgG= -0.586014 logG= -0.057436 TDE= -0.341452 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010529 tlogG= -0.048094 logG= -0.058623 Density= 0.430006 ETOT(band)= -0.468066 trlgG= -0.589245 logG= -0.058623 TDE= -0.342604 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010698 tlogG= -0.047752 logG= -0.058450 Density= 0.430611 ETOT(band)= -0.467490 trlgG= -0.588533 logG= -0.058450 TDE= -0.342620 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010800 tlogG= -0.047715 logG= -0.058516 Density= 0.430952 ETOT(band)= -0.467434 trlgG= -0.588893 logG= -0.058516 TDE= -0.342727 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010725 tlogG= -0.048041 logG= -0.058766 Density= 0.431190 ETOT(band)= -0.467717 trlgG= -0.589887 logG= -0.058766 TDE= -0.342992 logGD-logG0= -0.010357 tlogG= -0.046953 logG= -0.057310 Density= 0.429747 ETOT(band)= -0.466435 trlgG= -0.584403 logG= -0.057310 TDE= -0.341572 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009973 tlogG= -0.046423 logG= -0.056395 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429404 ETOT(band)= -0.465516 trlgG= -0.581706 logG= -0.056395 TDE= -0.341284 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010039 tlogG= -0.047581 logG= -0.057620 Density= 0.428479 ETOT(band)= -0.467441 trlgG= -0.586404 logG= -0.057620 TDE= -0.341905 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010282 tlogG= -0.047593 logG= -0.057875 Density= 0.429874 ETOT(band)= -0.467084 trlgG= -0.586335 logG= -0.057875 TDE= -0.342017 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010757 tlogG= -0.047291 logG= -0.058048 Density= 0.430344 ETOT(band)= -0.467064 trlgG= -0.587060 logG= -0.058048 TDE= -0.342236 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004856 tlogG= -0.022338 logG= -0.027194 Density= 0.322776 ETOT(band)= -0.347951 trlgG= -0.434152 logG= -0.027194 TDE= -0.170225 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004928 tlogG= -0.021313 logG= -0.026241 Density= 0.162595 ETOT(band)= -0.172974 trlgG= -0.215989 logG= -0.026241 TDE= -0.169858 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010009 tlogG= -0.044645 logG= -0.054654 Density= 0.324185 ETOT(band)= -0.346648 trlgG= -0.432098 logG= -0.054654 TDE= -0.340732 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001230 tlogG= -0.005471 logG= -0.006701 Density= 0.081174 ETOT(band)= -0.086348 trlgG= -0.107405 logG= -0.006701 TDE= -0.042567 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004815 tlogG= -0.022338 logG= -0.027153 Density= 0.214966 ETOT(band)= -0.231931 trlgG= -0.289182 logG= -0.027153 TDE= -0.170231 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009858 tlogG= -0.044647 logG= -0.054505 Density= 0.431476 ETOT(band)= -0.462044 trlgG= -0.574924 logG= -0.054505 TDE= -0.340369 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.792706338173 eV TrLogG= -407.355030391720 eV Ratio to renormalize= 1.000337647279 rho-rho_expected=-0.007425732851 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 37) Finished k-point number 76 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964695174380169 0.940485778920513 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004644 tlogG= -0.023227 logG= -0.027871 Density= 0.106715 ETOT(band)= -0.116637 trlgG= -0.145550 logG= -0.027871 TDE= -0.170486 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004731 tlogG= -0.023011 logG= -0.027742 Density= 0.106851 ETOT(band)= -0.116506 trlgG= -0.145286 logG= -0.027742 TDE= -0.170419 logGD-logG0= -0.004757 tlogG= -0.023521 logG= -0.028279 Density= 0.106752 ETOT(band)= -0.116828 trlgG= -0.146034 logG= -0.028279 TDE= -0.170582 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002411 tlogG= -0.010438 logG= -0.012849 Density= 0.054366 ETOT(band)= -0.057080 trlgG= -0.070734 logG= -0.012849 TDE= -0.084788 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001630 tlogG= -0.007000 logG= -0.008629 Density= 0.036188 ETOT(band)= -0.038132 trlgG= -0.047275 logG= -0.008629 TDE= -0.056553 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001697 tlogG= -0.007312 logG= -0.009009 Density= 0.035836 ETOT(band)= -0.038581 trlgG= -0.047936 logG= -0.009009 TDE= -0.056661 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004840 tlogG= -0.021013 logG= -0.025853 Density= 0.108685 ETOT(band)= -0.114307 trlgG= -0.141748 logG= -0.025853 TDE= -0.169679 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005029 tlogG= -0.021718 logG= -0.026746 Density= 0.107909 ETOT(band)= -0.115358 trlgG= -0.143337 logG= -0.026746 TDE= -0.169990 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002336 tlogG= -0.011895 logG= -0.014231 Density= 0.053550 ETOT(band)= -0.058409 trlgG= -0.073306 logG= -0.014231 TDE= -0.085575 logGD-logG0= -0.000196 tlogG= -0.000854 logG= -0.001050 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004542 ETOT(band)= -0.004734 trlgG= -0.005855 logG= -0.001050 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002613 tlogG= -0.012044 logG= -0.014657 Density= 0.053751 ETOT(band)= -0.058542 trlgG= -0.073726 logG= -0.014657 TDE= -0.085667 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002431 tlogG= -0.012094 logG= -0.014525 Density= 0.053573 ETOT(band)= -0.058554 trlgG= -0.073669 logG= -0.014525 TDE= -0.085654 logGD-logG0= -0.002342 tlogG= -0.011460 logG= -0.013802 Density= 0.053725 ETOT(band)= -0.058078 trlgG= -0.072541 logG= -0.013802 TDE= -0.085325 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001493 tlogG= -0.007819 logG= -0.009312 Density= 0.035485 ETOT(band)= -0.038930 trlgG= -0.048634 logG= -0.009312 TDE= -0.056883 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001412 tlogG= -0.008052 logG= -0.009464 Density= 0.035306 ETOT(band)= -0.039081 trlgG= -0.048999 logG= -0.009464 TDE= -0.057006 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002637 tlogG= -0.012001 logG= -0.014638 Density= 0.053971 ETOT(band)= -0.058425 trlgG= -0.073710 logG= -0.014638 TDE= -0.085779 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023456 logG= -0.028620 Density= 0.108106 ETOT(band)= -0.116396 trlgG= -0.146367 logG= -0.028620 TDE= -0.171243 logGD-logG0= -0.002568 tlogG= -0.011997 logG= -0.014565 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054125 ETOT(band)= -0.058304 trlgG= -0.073589 logG= -0.014565 TDE= -0.085808 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023789 logG= -0.028958 Density= 0.108153 ETOT(band)= -0.116558 trlgG= -0.146903 logG= -0.028958 TDE= -0.171465 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004344 tlogG= -0.024073 logG= -0.028417 logGD-logG0= -0.004370 tlogG= -0.023996 logG= -0.028367 Density= 0.106149 ETOT(band)= -0.117137 trlgG= -0.146757 logG= -0.028367 TDE= -0.170918 Density= 0.106097 ETOT(band)= -0.117181 trlgG= -0.146871 logG= -0.028417 TDE= -0.170955 logGD-logG0= -0.005123 tlogG= -0.023008 logG= -0.028130 logGD-logG0= -0.005055 tlogG= -0.022482 logG= -0.027537 Density= 0.108179 ETOT(band)= -0.115753 trlgG= -0.144644 logG= -0.027537 TDE= -0.170640 Density= 0.108111 ETOT(band)= -0.116126 trlgG= -0.145592 logG= -0.028130 TDE= -0.170960 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.022194 logG= -0.027166 Density= 0.108335 ETOT(band)= -0.115446 trlgG= -0.144036 logG= -0.027166 TDE= -0.170479 logGD-logG0= -0.005156 tlogG= -0.023976 logG= -0.029132 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108204 ETOT(band)= -0.116633 trlgG= -0.147182 logG= -0.029132 TDE= -0.171595 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023897 logG= -0.029040 logGD-logG0= -0.005307 tlogG= -0.024113 logG= -0.029421 Density= 0.108225 ETOT(band)= -0.116569 trlgG= -0.147033 logG= -0.029040 TDE= -0.171547 Density= 0.107864 ETOT(band)= -0.116994 trlgG= -0.147662 logG= -0.029421 TDE= -0.171617 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005016 tlogG= -0.024116 logG= -0.029132 logGD-logG0= -0.004852 tlogG= -0.023712 logG= -0.028563 Density= 0.107355 ETOT(band)= -0.116740 trlgG= -0.146478 logG= -0.028563 TDE= -0.171039 logGD-logG0= -0.005023 tlogG= -0.023663 logG= -0.028686 logGD-logG0= -0.005302 tlogG= -0.024094 logG= -0.029396 Density= 0.107619 ETOT(band)= -0.117086 trlgG= -0.147598 logG= -0.029396 TDE= -0.171458 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106956 ETOT(band)= -0.116947 trlgG= -0.146378 logG= -0.028686 TDE= -0.170619 Density= 0.107356 ETOT(band)= -0.117051 trlgG= -0.147220 logG= -0.029132 TDE= -0.171213 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005309 tlogG= -0.023707 logG= -0.029016 logGD-logG0= -0.005050 tlogG= -0.022759 logG= -0.027809 Density= 0.108224 ETOT(band)= -0.115889 trlgG= -0.145081 logG= -0.027809 TDE= -0.170826 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.022431 logG= -0.027464 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107208 ETOT(band)= -0.117019 trlgG= -0.146929 logG= -0.029016 TDE= -0.170965 logGD-logG0= -0.005116 tlogG= -0.023241 logG= -0.028356 Density= 0.108170 ETOT(band)= -0.116219 trlgG= -0.145948 logG= -0.028356 TDE= -0.171119 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023631 logG= -0.028777 logGD-logG0= -0.005252 tlogG= -0.023990 logG= -0.029242 Density= 0.107421 ETOT(band)= -0.117072 trlgG= -0.147324 logG= -0.029242 TDE= -0.171240 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.023925 logG= -0.029259 Density= 0.107728 ETOT(band)= -0.116952 trlgG= -0.147383 logG= -0.029259 TDE= -0.171433 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108179 ETOT(band)= -0.116443 trlgG= -0.146612 logG= -0.028777 TDE= -0.171368 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004885 tlogG= -0.022873 logG= -0.027757 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.023690 logG= -0.028393 Density= 0.106576 ETOT(band)= -0.116975 trlgG= -0.146463 logG= -0.028393 TDE= -0.170810 Density= 0.107724 ETOT(band)= -0.116109 trlgG= -0.145009 logG= -0.027757 TDE= -0.170559 Density= 0.107612 ETOT(band)= -0.115979 trlgG= -0.144523 logG= -0.027464 TDE= -0.170311 logGD-logG0= -0.004729 tlogG= -0.023711 logG= -0.028440 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024160 logG= -0.029500 logGD-logG0= -0.004568 tlogG= -0.024067 logG= -0.028635 Density= 0.106367 ETOT(band)= -0.117169 trlgG= -0.146880 logG= -0.028635 TDE= -0.170880 Density= 0.107787 ETOT(band)= -0.117082 trlgG= -0.147788 logG= -0.029500 TDE= -0.171626 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106953 ETOT(band)= -0.116858 trlgG= -0.146569 logG= -0.028440 TDE= -0.171055 logGD-logG0= -0.004902 tlogG= -0.024093 logG= -0.028995 Density= 0.107033 ETOT(band)= -0.117112 trlgG= -0.147246 logG= -0.028995 TDE= -0.171216 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.023913 logG= -0.028842 Density= 0.106734 ETOT(band)= -0.117130 trlgG= -0.146992 logG= -0.028842 TDE= -0.170968 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005133 tlogG= -0.022898 logG= -0.028030 Density= 0.107593 ETOT(band)= -0.116313 trlgG= -0.145420 logG= -0.028030 TDE= -0.170632 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004761 tlogG= -0.022876 logG= -0.027636 logGD-logG0= -0.005293 tlogG= -0.023896 logG= -0.029190 Density= 0.107275 ETOT(band)= -0.116253 trlgG= -0.145135 logG= -0.027636 TDE= -0.170583 logGD-logG0= -0.005282 tlogG= -0.024085 logG= -0.029367 Density= 0.107892 ETOT(band)= -0.116820 trlgG= -0.147276 logG= -0.029190 TDE= -0.171477 Density= 0.107923 ETOT(band)= -0.116926 trlgG= -0.147573 logG= -0.029367 TDE= -0.171612 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.023218 logG= -0.028543 Density= 0.107659 ETOT(band)= -0.116562 trlgG= -0.146231 logG= -0.028543 TDE= -0.170963 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009512 tlogG= -0.045807 logG= -0.055319 Density= 0.214973 ETOT(band)= -0.232339 trlgG= -0.290171 logG= -0.055319 TDE= -0.341231 logGD-logG0= -0.005331 tlogG= -0.023606 logG= -0.028936 Density= 0.107776 ETOT(band)= -0.116723 trlgG= -0.146861 logG= -0.028936 TDE= -0.171257 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009154 tlogG= -0.047675 logG= -0.056829 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009692 tlogG= -0.047208 logG= -0.056900 Density= 0.212883 ETOT(band)= -0.234073 trlgG= -0.293061 logG= -0.056829 TDE= -0.341577 Density= 0.213723 ETOT(band)= -0.233775 trlgG= -0.292990 logG= -0.056900 TDE= -0.341851 logGD-logG0= -0.009827 tlogG= -0.048292 logG= -0.058119 Density= 0.214356 ETOT(band)= -0.234183 trlgG= -0.294567 logG= -0.058119 TDE= -0.342522 logGD-logG0= -0.009791 tlogG= -0.045638 logG= -0.055429 Density= 0.214320 ETOT(band)= -0.232689 trlgG= -0.290349 logG= -0.055429 TDE= -0.340976 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009586 tlogG= -0.047973 logG= -0.057559 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213229 ETOT(band)= -0.234284 trlgG= -0.293706 logG= -0.057559 TDE= -0.341664 logGD-logG0= -0.009859 tlogG= -0.047197 logG= -0.057056 Density= 0.213734 ETOT(band)= -0.233819 trlgG= -0.292781 logG= -0.057056 TDE= -0.341492 logGD-logG0= -0.010550 tlogG= -0.047794 logG= -0.058344 logGD-logG0= -0.009465 tlogG= -0.047495 logG= -0.056960 Density= 0.214266 ETOT(band)= -0.233606 trlgG= -0.293120 logG= -0.056960 TDE= -0.342189 logGD-logG0= -0.010506 tlogG= -0.048128 logG= -0.058634 Density= 0.215025 ETOT(band)= -0.234160 trlgG= -0.294913 logG= -0.058634 TDE= -0.342684 logGD-logG0= -0.009973 tlogG= -0.047949 logG= -0.057921 Density= 0.213924 ETOT(band)= -0.234221 trlgG= -0.294255 logG= -0.057921 TDE= -0.342194 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214711 ETOT(band)= -0.234107 trlgG= -0.294402 logG= -0.058344 TDE= -0.342308 logGD-logG0= -0.009897 tlogG= -0.045696 logG= -0.055593 Density= 0.215105 ETOT(band)= -0.232415 trlgG= -0.290163 logG= -0.055593 TDE= -0.341014 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010414 tlogG= -0.047834 logG= -0.058248 Density= 0.214611 ETOT(band)= -0.234100 trlgG= -0.294233 logG= -0.058248 TDE= -0.342184 logGD-logG0= -0.010354 tlogG= -0.048026 logG= -0.058381 logGD-logG0= -0.010097 tlogG= -0.048077 logG= -0.058174 Density= 0.214486 ETOT(band)= -0.234130 trlgG= -0.294316 logG= -0.058174 TDE= -0.342281 Density= 0.215027 ETOT(band)= -0.234016 trlgG= -0.294496 logG= -0.058381 TDE= -0.342522 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010216 tlogG= -0.047706 logG= -0.057922 logGD-logG0= -0.010587 tlogG= -0.048062 logG= -0.058649 Density= 0.215061 ETOT(band)= -0.234152 trlgG= -0.294940 logG= -0.058649 TDE= -0.342714 Density= 0.213905 ETOT(band)= -0.234208 trlgG= -0.294007 logG= -0.057922 TDE= -0.341936 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047994 logG= -0.058556 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215850 ETOT(band)= -0.233723 trlgG= -0.294846 logG= -0.058556 TDE= -0.343103 logGD-logG0= -0.010636 tlogG= -0.047581 logG= -0.058218 Density= 0.215654 ETOT(band)= -0.233607 trlgG= -0.294283 logG= -0.058218 TDE= -0.342782 logGD-logG0= -0.010445 tlogG= -0.047352 logG= -0.057797 Density= 0.214217 ETOT(band)= -0.234000 trlgG= -0.293483 logG= -0.057797 TDE= -0.341691 logGD-logG0= -0.010701 tlogG= -0.048192 logG= -0.058893 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215377 ETOT(band)= -0.234178 trlgG= -0.295378 logG= -0.058893 TDE= -0.343064 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004621 tlogG= -0.023911 logG= -0.028533 Density= 0.213239 ETOT(band)= -0.233899 trlgG= -0.292671 logG= -0.028533 TDE= -0.170799 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002472 tlogG= -0.010852 logG= -0.013325 logGD-logG0= -0.010652 tlogG= -0.046925 logG= -0.057576 Density= 0.215384 ETOT(band)= -0.233370 trlgG= -0.293242 logG= -0.057576 TDE= -0.342248 logGD-logG0= -0.010610 tlogG= -0.047467 logG= -0.058077 logGD-logG0= -0.010617 tlogG= -0.047943 logG= -0.058560 Density= 0.215721 ETOT(band)= -0.233796 trlgG= -0.294848 logG= -0.058560 TDE= -0.343038 Density= 0.054051 ETOT(band)= -0.057598 trlgG= -0.071581 logG= -0.013325 TDE= -0.085004 Density= 0.215421 ETOT(band)= -0.233647 trlgG= -0.294043 logG= -0.058077 TDE= -0.342567 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010212 tlogG= -0.046458 logG= -0.056670 Density= 0.215170 ETOT(band)= -0.232979 trlgG= -0.291797 logG= -0.056670 TDE= -0.341604 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009821 tlogG= -0.047272 logG= -0.057093 Density= 0.214432 ETOT(band)= -0.233567 trlgG= -0.292893 logG= -0.057093 TDE= -0.341912 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010124 tlogG= -0.047199 logG= -0.057322 Density= 0.215105 ETOT(band)= -0.233381 trlgG= -0.292816 logG= -0.057322 TDE= -0.341938 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001578 tlogG= -0.007595 logG= -0.009173 Density= 0.071483 ETOT(band)= -0.077360 trlgG= -0.096213 logG= -0.009173 TDE= -0.056743 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.021899 logG= -0.026906 logGD-logG0= -0.004921 tlogG= -0.021588 logG= -0.026509 Density= 0.108299 ETOT(band)= -0.115262 trlgG= -0.143586 logG= -0.026906 TDE= -0.170272 Density= 0.108489 ETOT(band)= -0.114896 trlgG= -0.142906 logG= -0.026509 TDE= -0.170083 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001209 tlogG= -0.005313 logG= -0.006522 Density= 0.081540 ETOT(band)= -0.085701 trlgG= -0.106274 logG= -0.006522 TDE= -0.042465 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004451 tlogG= -0.023762 logG= -0.028212 Density= 0.213046 ETOT(band)= -0.233622 trlgG= -0.291940 logG= -0.028212 TDE= -0.170796 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001698 tlogG= -0.007125 logG= -0.008823 Density= 0.072214 ETOT(band)= -0.076492 trlgG= -0.094898 logG= -0.008823 TDE= -0.056628 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.022316 logG= -0.027279 Density= 0.214218 ETOT(band)= -0.232477 trlgG= -0.289617 logG= -0.027279 TDE= -0.170183 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005088 tlogG= -0.021841 logG= -0.026929 Density= 0.107766 ETOT(band)= -0.115551 trlgG= -0.143647 logG= -0.026929 TDE= -0.170046 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010052 tlogG= -0.043435 logG= -0.053488 Density= 0.216230 ETOT(band)= -0.230506 trlgG= -0.286651 logG= -0.053488 TDE= -0.340165 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005004 tlogG= -0.021375 logG= -0.026379 Density= 0.216973 ETOT(band)= -0.229215 trlgG= -0.284450 logG= -0.026379 TDE= -0.169908 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004963 tlogG= -0.021230 logG= -0.026193 Density= 0.216300 ETOT(band)= -0.230076 trlgG= -0.285708 logG= -0.026193 TDE= -0.169815 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001262 tlogG= -0.005754 logG= -0.007016 Density= 0.080619 ETOT(band)= -0.087411 trlgG= -0.109677 logG= -0.007016 TDE= -0.042750 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001280 tlogG= -0.005990 logG= -0.007270 Density= 0.081043 ETOT(band)= -0.087565 trlgG= -0.110483 logG= -0.007270 TDE= -0.042900 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005945 logG= -0.007226 Density= 0.080814 ETOT(band)= -0.087662 trlgG= -0.110430 logG= -0.007226 TDE= -0.042870 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001241 tlogG= -0.005625 logG= -0.006867 Density= 0.080820 ETOT(band)= -0.086982 trlgG= -0.108673 logG= -0.006867 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005862 logG= -0.007138 Density= 0.080631 ETOT(band)= -0.087627 trlgG= -0.110233 logG= -0.007138 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001439 tlogG= -0.007973 logG= -0.009412 Density= 0.070853 ETOT(band)= -0.077962 trlgG= -0.097512 logG= -0.009412 TDE= -0.056968 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023825 logG= -0.029097 Density= 0.215288 ETOT(band)= -0.233802 trlgG= -0.294347 logG= -0.029097 TDE= -0.171440 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023505 logG= -0.028774 Density= 0.215169 ETOT(band)= -0.233366 trlgG= -0.293083 logG= -0.028774 TDE= -0.171183 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.024027 logG= -0.029266 Density= 0.215639 ETOT(band)= -0.233896 trlgG= -0.295003 logG= -0.029266 TDE= -0.171593 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.024025 logG= -0.029227 Density= 0.216308 ETOT(band)= -0.233378 trlgG= -0.294524 logG= -0.029227 TDE= -0.171610 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004318 tlogG= -0.024154 logG= -0.028471 Density= 0.212131 ETOT(band)= -0.234411 trlgG= -0.293865 logG= -0.028471 TDE= -0.170994 logGD-logG0= -0.005092 tlogG= -0.023868 logG= -0.028960 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215449 ETOT(band)= -0.233798 trlgG= -0.294452 logG= -0.028960 TDE= -0.171129 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004699 tlogG= -0.023391 logG= -0.028090 Density= 0.321569 ETOT(band)= -0.350117 trlgG= -0.439027 logG= -0.028090 TDE= -0.170916 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005177 logG= -0.006367 Density= 0.062528 ETOT(band)= -0.067555 trlgG= -0.084259 logG= -0.006367 TDE= -0.042363 logGD-logG0= -0.005060 tlogG= -0.024186 logG= -0.029246 logGD-logG0= -0.005195 tlogG= -0.023982 logG= -0.029177 Density= 0.322372 ETOT(band)= -0.351280 trlgG= -0.442285 logG= -0.029246 TDE= -0.171247 Density= 0.216342 ETOT(band)= -0.233273 trlgG= -0.294292 logG= -0.029177 TDE= -0.171583 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005134 tlogG= -0.022463 logG= -0.027597 logGD-logG0= -0.010433 tlogG= -0.047838 logG= -0.058271 Density= 0.216323 ETOT(band)= -0.231323 trlgG= -0.288776 logG= -0.027597 TDE= -0.170581 Density= 0.324280 ETOT(band)= -0.349971 trlgG= -0.441285 logG= -0.058271 TDE= -0.343060 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004506 tlogG= -0.023608 logG= -0.028114 logGD-logG0= -0.005094 tlogG= -0.023981 logG= -0.029075 Density= 0.212578 ETOT(band)= -0.234030 trlgG= -0.292916 logG= -0.028114 TDE= -0.170711 logGD-logG0= -0.005332 tlogG= -0.024149 logG= -0.029480 Density= 0.214295 ETOT(band)= -0.234134 trlgG= -0.294091 logG= -0.029075 TDE= -0.171079 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004788 tlogG= -0.024030 logG= -0.028818 Density= 0.215672 ETOT(band)= -0.234053 trlgG= -0.295419 logG= -0.029480 TDE= -0.171626 Density= 0.321498 ETOT(band)= -0.351167 trlgG= -0.441607 logG= -0.028818 TDE= -0.171241 logGD-logG0= -0.005194 tlogG= -0.022993 logG= -0.028187 Density= 0.216178 ETOT(band)= -0.232121 trlgG= -0.290763 logG= -0.028187 TDE= -0.170916 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005034 tlogG= -0.024181 logG= -0.029215 logGD-logG0= -0.004936 tlogG= -0.023903 logG= -0.028839 logGD-logG0= -0.010479 tlogG= -0.047287 logG= -0.057766 Density= 0.214696 ETOT(band)= -0.234207 trlgG= -0.294706 logG= -0.029215 TDE= -0.171252 Density= 0.324062 ETOT(band)= -0.349604 trlgG= -0.439936 logG= -0.057766 TDE= -0.342668 Density= 0.213744 ETOT(band)= -0.234048 trlgG= -0.293182 logG= -0.028839 TDE= -0.170809 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023441 logG= -0.028662 Density= 0.216151 ETOT(band)= -0.232696 trlgG= -0.292379 logG= -0.028662 TDE= -0.171203 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.024107 logG= -0.029373 Density= 0.322992 ETOT(band)= -0.351253 trlgG= -0.442937 logG= -0.029373 TDE= -0.171439 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010722 tlogG= -0.048090 logG= -0.058811 Density= 0.323177 ETOT(band)= -0.351045 trlgG= -0.442633 logG= -0.058811 TDE= -0.343054 logGD-logG0= -0.010210 tlogG= -0.045674 logG= -0.055884 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323974 ETOT(band)= -0.348003 trlgG= -0.435228 logG= -0.055884 TDE= -0.341486 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.023268 logG= -0.028066 logGD-logG0= -0.005379 tlogG= -0.023924 logG= -0.029304 logGD-logG0= -0.001586 tlogG= -0.006882 logG= -0.008468 Density= 0.215599 ETOT(band)= -0.233798 trlgG= -0.294730 logG= -0.029304 TDE= -0.171449 Density= 0.213456 ETOT(band)= -0.233652 trlgG= -0.292400 logG= -0.028066 TDE= -0.170760 logGD-logG0= -0.005215 tlogG= -0.023788 logG= -0.029003 Density= 0.216231 ETOT(band)= -0.233075 trlgG= -0.293587 logG= -0.029003 TDE= -0.171442 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004755 tlogG= -0.024031 logG= -0.028786 Density= 0.214076 ETOT(band)= -0.234125 trlgG= -0.294308 logG= -0.028786 TDE= -0.171246 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005046 tlogG= -0.023267 logG= -0.028313 Density= 0.321635 ETOT(band)= -0.350625 trlgG= -0.439880 logG= -0.028313 TDE= -0.170870 Density= 0.040839 ETOT(band)= -0.042680 trlgG= -0.052829 logG= -0.008468 TDE= -0.056467 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004850 tlogG= -0.023861 logG= -0.028711 Density= 0.213529 ETOT(band)= -0.234186 trlgG= -0.293919 logG= -0.028711 TDE= -0.171065 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005364 tlogG= -0.023984 logG= -0.029348 Density= 0.323591 ETOT(band)= -0.350717 trlgG= -0.442376 logG= -0.029348 TDE= -0.171498 logGD-logG0= -0.004986 tlogG= -0.022926 logG= -0.027912 logGD-logG0= -0.010477 tlogG= -0.046466 logG= -0.056943 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214753 ETOT(band)= -0.232437 trlgG= -0.289863 logG= -0.027912 TDE= -0.170447 Density= 0.323926 ETOT(band)= -0.348947 trlgG= -0.437849 logG= -0.056943 TDE= -0.342111 logGD-logG0= -0.009715 tlogG= -0.046652 logG= -0.056366 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322638 ETOT(band)= -0.349071 trlgG= -0.436666 logG= -0.056366 TDE= -0.341641 logGD-logG0= -0.004667 tlogG= -0.023394 logG= -0.028062 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214140 ETOT(band)= -0.233411 trlgG= -0.292513 logG= -0.028062 TDE= -0.170924 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005428 tlogG= -0.023710 logG= -0.029138 logGD-logG0= -0.008994 tlogG= -0.048139 logG= -0.057133 Density= 0.425450 ETOT(band)= -0.468417 trlgG= -0.586816 logG= -0.057133 TDE= -0.341811 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215362 ETOT(band)= -0.233650 trlgG= -0.294032 logG= -0.029138 TDE= -0.171272 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005188 tlogG= -0.023215 logG= -0.028404 Density= 0.214823 ETOT(band)= -0.232992 trlgG= -0.291395 logG= -0.028404 TDE= -0.170634 logGD-logG0= -0.009484 tlogG= -0.046756 logG= -0.056239 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427807 ETOT(band)= -0.466204 trlgG= -0.582195 logG= -0.056239 TDE= -0.341251 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005453 tlogG= -0.023377 logG= -0.028830 Density= 0.215061 ETOT(band)= -0.233392 trlgG= -0.292891 logG= -0.028830 TDE= -0.170978 logGD-logG0= -0.010346 tlogG= -0.048004 logG= -0.058349 Density= 0.429113 ETOT(band)= -0.468308 trlgG= -0.588619 logG= -0.058349 TDE= -0.342184 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010288 tlogG= -0.047714 logG= -0.058003 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428201 ETOT(band)= -0.468217 trlgG= -0.587534 logG= -0.058003 TDE= -0.341938 logGD-logG0= -0.009534 tlogG= -0.046655 logG= -0.056188 Density= 0.428009 ETOT(band)= -0.466928 trlgG= -0.584805 logG= -0.056188 TDE= -0.341666 logGD-logG0= -0.010177 tlogG= -0.048196 logG= -0.058372 Density= 0.429209 ETOT(band)= -0.468347 trlgG= -0.588973 logG= -0.058372 TDE= -0.342344 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009672 tlogG= -0.047887 logG= -0.057559 Density= 0.427948 ETOT(band)= -0.468234 trlgG= -0.588202 logG= -0.057559 TDE= -0.342297 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010311 tlogG= -0.048268 logG= -0.058579 Density= 0.429944 ETOT(band)= -0.468351 trlgG= -0.589743 logG= -0.058579 TDE= -0.342558 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010690 tlogG= -0.047775 logG= -0.058465 logGD-logG0= -0.004596 tlogG= -0.023994 logG= -0.028590 Density= 0.430658 ETOT(band)= -0.467604 trlgG= -0.588699 logG= -0.058465 TDE= -0.342700 logGD-logG0= -0.009687 tlogG= -0.047692 logG= -0.057379 Density= 0.426585 ETOT(band)= -0.468446 trlgG= -0.587335 logG= -0.057379 TDE= -0.341829 Density= 0.212766 ETOT(band)= -0.234309 trlgG= -0.293665 logG= -0.028590 TDE= -0.170847 logGD-logG0= -0.004922 tlogG= -0.021325 logG= -0.026247 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009963 tlogG= -0.046447 logG= -0.056411 Density= 0.429442 ETOT(band)= -0.465634 trlgG= -0.581870 logG= -0.056411 TDE= -0.341362 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009849 tlogG= -0.047901 logG= -0.057749 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429044 ETOT(band)= -0.468010 trlgG= -0.588175 logG= -0.057749 TDE= -0.342284 Density= 0.162613 ETOT(band)= -0.173014 trlgG= -0.216046 logG= -0.026247 TDE= -0.169895 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010785 tlogG= -0.047746 logG= -0.058531 logGD-logG0= -0.009641 tlogG= -0.047811 logG= -0.057452 Density= 0.430999 ETOT(band)= -0.467547 trlgG= -0.589057 logG= -0.058531 TDE= -0.342807 Density= 0.427089 ETOT(band)= -0.467995 trlgG= -0.586186 logG= -0.057452 TDE= -0.341531 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010522 tlogG= -0.048117 logG= -0.058638 Density= 0.430051 ETOT(band)= -0.468182 trlgG= -0.589414 logG= -0.058638 TDE= -0.342684 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010710 tlogG= -0.048071 logG= -0.058781 Density= 0.431239 ETOT(band)= -0.467830 trlgG= -0.590052 logG= -0.058781 TDE= -0.343072 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010029 tlogG= -0.047607 logG= -0.057636 Density= 0.428518 ETOT(band)= -0.467561 trlgG= -0.586572 logG= -0.057636 TDE= -0.341983 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010349 tlogG= -0.046977 logG= -0.057326 Density= 0.429789 ETOT(band)= -0.466552 trlgG= -0.584570 logG= -0.057326 TDE= -0.341651 logGD-logG0= -0.004850 tlogG= -0.022350 logG= -0.027201 Density= 0.322805 ETOT(band)= -0.348038 trlgG= -0.434274 logG= -0.027201 TDE= -0.170263 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010274 tlogG= -0.047616 logG= -0.057890 logGD-logG0= -0.010749 tlogG= -0.047314 logG= -0.058063 Density= 0.429917 ETOT(band)= -0.467200 trlgG= -0.586502 logG= -0.057890 TDE= -0.342097 Density= 0.430388 ETOT(band)= -0.467179 trlgG= -0.587225 logG= -0.058063 TDE= -0.342316 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005474 logG= -0.006702 Density= 0.081182 ETOT(band)= -0.086369 trlgG= -0.107434 logG= -0.006702 TDE= -0.042576 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010000 tlogG= -0.044667 logG= -0.054667 Density= 0.324217 ETOT(band)= -0.346732 trlgG= -0.432214 logG= -0.054667 TDE= -0.340807 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004810 tlogG= -0.022350 logG= -0.027160 Density= 0.214984 ETOT(band)= -0.231990 trlgG= -0.289264 logG= -0.027160 TDE= -0.170269 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004934 tlogG= -0.022495 logG= -0.027429 Density= 0.214979 ETOT(band)= -0.231700 trlgG= -0.288217 logG= -0.027429 TDE= -0.170196 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005094 tlogG= -0.021904 logG= -0.026998 Density= 0.216579 ETOT(band)= -0.230324 trlgG= -0.286657 logG= -0.026998 TDE= -0.170241 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009847 tlogG= -0.044671 logG= -0.054518 Density= 0.431516 ETOT(band)= -0.462158 trlgG= -0.575082 logG= -0.054518 TDE= -0.340446 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.874030939948 eV TrLogG= -407.484594246510 eV Ratio to renormalize= 1.000241311284 rho-rho_expected=-0.005307567475 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964692986301697 0.940482500963884 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009284 Density= 0.035491 ETOT(band)= -0.038931 trlgG= -0.048604 logG= -0.009284 TDE= -0.056883 logGD-logG0= -0.001392 tlogG= -0.008044 logG= -0.009436 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035312 ETOT(band)= -0.039083 trlgG= -0.048969 logG= -0.009436 TDE= -0.057007 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024050 logG= -0.028333 Density= 0.106113 ETOT(band)= -0.117184 trlgG= -0.146781 logG= -0.028333 TDE= -0.170958 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.023973 logG= -0.028283 Density= 0.106165 ETOT(band)= -0.117140 trlgG= -0.146667 logG= -0.028283 TDE= -0.170920 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.022987 logG= -0.027658 Density= 0.106870 ETOT(band)= -0.116507 trlgG= -0.145196 logG= -0.027658 TDE= -0.170422 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002384 tlogG= -0.010424 logG= -0.012807 Density= 0.054379 ETOT(band)= -0.057078 trlgG= -0.070687 logG= -0.012807 TDE= -0.084790 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001677 tlogG= -0.007304 logG= -0.008981 Density= 0.035843 ETOT(band)= -0.038581 trlgG= -0.047906 logG= -0.008981 TDE= -0.056662 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004866 tlogG= -0.021560 logG= -0.026426 Density= 0.108516 ETOT(band)= -0.114892 trlgG= -0.142812 logG= -0.026426 TDE= -0.170085 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002314 tlogG= -0.011447 logG= -0.013760 Density= 0.053736 ETOT(band)= -0.058078 trlgG= -0.072495 logG= -0.013760 TDE= -0.085326 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004507 tlogG= -0.024044 logG= -0.028551 Density= 0.106385 ETOT(band)= -0.117172 trlgG= -0.146789 logG= -0.028551 TDE= -0.170882 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.023640 logG= -0.028602 Density= 0.106976 ETOT(band)= -0.116948 trlgG= -0.146286 logG= -0.028602 TDE= -0.170622 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.023890 logG= -0.028757 Density= 0.106754 ETOT(band)= -0.117131 trlgG= -0.146900 logG= -0.028757 TDE= -0.170970 logGD-logG0= -0.004671 tlogG= -0.023684 logG= -0.028355 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106974 ETOT(band)= -0.116859 trlgG= -0.146477 logG= -0.028355 TDE= -0.171057 logGD-logG0= -0.004642 tlogG= -0.023666 logG= -0.028309 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106595 ETOT(band)= -0.116977 trlgG= -0.146373 logG= -0.028309 TDE= -0.170813 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.022849 logG= -0.027553 Density= 0.107296 ETOT(band)= -0.116253 trlgG= -0.145043 logG= -0.027553 TDE= -0.170586 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002307 tlogG= -0.011882 logG= -0.014189 Density= 0.053561 ETOT(band)= -0.058409 trlgG= -0.073260 logG= -0.014189 TDE= -0.085576 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012031 logG= -0.014615 Density= 0.053762 ETOT(band)= -0.058541 trlgG= -0.073679 logG= -0.014615 TDE= -0.085669 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010839 logG= -0.013283 Density= 0.054064 ETOT(band)= -0.057597 trlgG= -0.071535 logG= -0.013283 TDE= -0.085005 logGD-logG0= -0.002402 tlogG= -0.012081 logG= -0.014483 Density= 0.053583 ETOT(band)= -0.058553 trlgG= -0.073622 logG= -0.014483 TDE= -0.085655 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002609 tlogG= -0.011987 logG= -0.014596 Density= 0.053983 ETOT(band)= -0.058424 trlgG= -0.073663 logG= -0.014596 TDE= -0.085781 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023761 logG= -0.028874 Density= 0.108179 ETOT(band)= -0.116554 trlgG= -0.146809 logG= -0.028874 TDE= -0.171467 logGD-logG0= -0.002540 tlogG= -0.011983 logG= -0.014523 logGD-logG0= -0.005108 tlogG= -0.023427 logG= -0.028536 Density= 0.054138 ETOT(band)= -0.058302 trlgG= -0.073541 logG= -0.014523 TDE= -0.085809 Density= 0.108131 ETOT(band)= -0.116393 trlgG= -0.146273 logG= -0.028536 TDE= -0.171246 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.023947 logG= -0.029047 Density= 0.108230 ETOT(band)= -0.116629 trlgG= -0.147087 logG= -0.029047 TDE= -0.171598 logGD-logG0= -0.005067 tlogG= -0.022979 logG= -0.028046 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108135 ETOT(band)= -0.116123 trlgG= -0.145498 logG= -0.028046 TDE= -0.170963 logGD-logG0= -0.004999 tlogG= -0.022454 logG= -0.027453 logGD-logG0= -0.005242 tlogG= -0.024068 logG= -0.029311 Density= 0.107642 ETOT(band)= -0.117083 trlgG= -0.147504 logG= -0.029311 TDE= -0.171460 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108204 ETOT(band)= -0.115750 trlgG= -0.144551 logG= -0.027453 TDE= -0.170643 logGD-logG0= -0.004916 tlogG= -0.022166 logG= -0.027082 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108360 ETOT(band)= -0.115443 trlgG= -0.143942 logG= -0.027082 TDE= -0.170482 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004826 tlogG= -0.022847 logG= -0.027673 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107747 ETOT(band)= -0.116107 trlgG= -0.144916 logG= -0.027673 TDE= -0.170561 logGD-logG0= -0.004584 tlogG= -0.023203 logG= -0.027788 logGD-logG0= -0.005251 tlogG= -0.024085 logG= -0.029336 Density= 0.107888 ETOT(band)= -0.116990 trlgG= -0.147567 logG= -0.029336 TDE= -0.171620 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106733 ETOT(band)= -0.116639 trlgG= -0.145459 logG= -0.027788 TDE= -0.170489 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.023869 logG= -0.028956 Density= 0.108250 ETOT(band)= -0.116564 trlgG= -0.146938 logG= -0.028956 TDE= -0.171550 logGD-logG0= -0.005250 tlogG= -0.023681 logG= -0.028931 Density= 0.107230 ETOT(band)= -0.117018 trlgG= -0.146836 logG= -0.028931 TDE= -0.170968 logGD-logG0= -0.005090 tlogG= -0.023602 logG= -0.028692 logGD-logG0= -0.004793 tlogG= -0.023686 logG= -0.028479 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107377 ETOT(band)= -0.116738 trlgG= -0.146385 logG= -0.028479 TDE= -0.171042 logGD-logG0= -0.005284 tlogG= -0.024131 logG= -0.029415 Density= 0.108204 ETOT(band)= -0.116439 trlgG= -0.146517 logG= -0.028692 TDE= -0.171370 logGD-logG0= -0.004995 tlogG= -0.022730 logG= -0.027725 logGD-logG0= -0.005060 tlogG= -0.023212 logG= -0.028272 Density= 0.108195 ETOT(band)= -0.116216 trlgG= -0.145854 logG= -0.028272 TDE= -0.171122 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107811 ETOT(band)= -0.117079 trlgG= -0.147693 logG= -0.029415 TDE= -0.171629 logGD-logG0= -0.004975 tlogG= -0.022405 logG= -0.027380 Density= 0.107634 ETOT(band)= -0.115978 trlgG= -0.144431 logG= -0.027380 TDE= -0.170314 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108249 ETOT(band)= -0.115886 trlgG= -0.144987 logG= -0.027725 TDE= -0.170829 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.022872 logG= -0.027946 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107615 ETOT(band)= -0.116312 trlgG= -0.145328 logG= -0.027946 TDE= -0.170635 logGD-logG0= -0.005275 tlogG= -0.023899 logG= -0.029174 Density= 0.107751 ETOT(band)= -0.116949 trlgG= -0.147289 logG= -0.029174 TDE= -0.171435 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023498 logG= -0.028195 Density= 0.106770 ETOT(band)= -0.116830 trlgG= -0.145943 logG= -0.028195 TDE= -0.170584 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.024067 logG= -0.028911 Density= 0.107054 ETOT(band)= -0.117111 trlgG= -0.147154 logG= -0.028911 TDE= -0.171219 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023193 logG= -0.028458 Density= 0.107682 ETOT(band)= -0.116560 trlgG= -0.146138 logG= -0.028458 TDE= -0.170966 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023964 logG= -0.029157 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107443 ETOT(band)= -0.117070 trlgG= -0.147231 logG= -0.029157 TDE= -0.171242 logGD-logG0= -0.005237 tlogG= -0.023868 logG= -0.029105 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107916 ETOT(band)= -0.116816 trlgG= -0.147182 logG= -0.029105 TDE= -0.171479 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.024090 logG= -0.029047 Density= 0.107378 ETOT(band)= -0.117049 trlgG= -0.147126 logG= -0.029047 TDE= -0.171216 logGD-logG0= -0.005275 tlogG= -0.023577 logG= -0.028852 Density= 0.107800 ETOT(band)= -0.116721 trlgG= -0.146767 logG= -0.028852 TDE= -0.171260 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009396 tlogG= -0.045755 logG= -0.055152 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.048239 logG= -0.057949 Density= 0.214399 ETOT(band)= -0.234181 trlgG= -0.294381 logG= -0.057949 TDE= -0.342527 Density= 0.215017 ETOT(band)= -0.232338 trlgG= -0.289987 logG= -0.055152 TDE= -0.341236 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009576 tlogG= -0.047155 logG= -0.056731 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009033 tlogG= -0.047628 logG= -0.056661 Density= 0.213763 ETOT(band)= -0.233776 trlgG= -0.292806 logG= -0.056731 TDE= -0.341856 Density= 0.212919 ETOT(band)= -0.234078 trlgG= -0.292880 logG= -0.056661 TDE= -0.341582 logGD-logG0= -0.009856 tlogG= -0.047896 logG= -0.057752 logGD-logG0= -0.009676 tlogG= -0.045586 logG= -0.055261 Density= 0.213965 ETOT(band)= -0.234220 trlgG= -0.294070 logG= -0.057752 TDE= -0.342199 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214360 ETOT(band)= -0.232690 trlgG= -0.290166 logG= -0.055261 TDE= -0.340981 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.047742 logG= -0.058174 logGD-logG0= -0.009463 tlogG= -0.047926 logG= -0.057390 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.024056 logG= -0.029282 Density= 0.107947 ETOT(band)= -0.116923 trlgG= -0.147479 logG= -0.029282 TDE= -0.171614 Density= 0.214755 ETOT(band)= -0.234103 trlgG= -0.294216 logG= -0.058174 TDE= -0.342313 Density= 0.213267 ETOT(band)= -0.234286 trlgG= -0.293524 logG= -0.057390 TDE= -0.341669 logGD-logG0= -0.010387 tlogG= -0.048077 logG= -0.058464 Density= 0.215070 ETOT(band)= -0.234156 trlgG= -0.294726 logG= -0.058464 TDE= -0.342690 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009349 tlogG= -0.047443 logG= -0.056792 Density= 0.214309 ETOT(band)= -0.233605 trlgG= -0.292935 logG= -0.056792 TDE= -0.342194 logGD-logG0= -0.010235 tlogG= -0.047975 logG= -0.058210 logGD-logG0= -0.009737 tlogG= -0.047150 logG= -0.056887 logGD-logG0= -0.009781 tlogG= -0.045644 logG= -0.055425 Density= 0.215149 ETOT(band)= -0.232413 trlgG= -0.289978 logG= -0.055425 TDE= -0.341019 Density= 0.215073 ETOT(band)= -0.234011 trlgG= -0.294309 logG= -0.058210 TDE= -0.342528 Density= 0.213773 ETOT(band)= -0.233820 trlgG= -0.292598 logG= -0.056887 TDE= -0.341497 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047782 logG= -0.058079 Density= 0.214654 ETOT(band)= -0.234098 trlgG= -0.294047 logG= -0.058079 TDE= -0.342190 logGD-logG0= -0.010096 tlogG= -0.047656 logG= -0.057752 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010468 tlogG= -0.048010 logG= -0.058479 Density= 0.215107 ETOT(band)= -0.234147 trlgG= -0.294753 logG= -0.058479 TDE= -0.342720 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213946 ETOT(band)= -0.234207 trlgG= -0.293823 logG= -0.057752 TDE= -0.341941 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009979 tlogG= -0.048025 logG= -0.058004 logGD-logG0= -0.001611 tlogG= -0.006990 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038131 trlgG= -0.047244 logG= -0.008602 TDE= -0.056554 Density= 0.214529 ETOT(band)= -0.234127 trlgG= -0.294129 logG= -0.058004 TDE= -0.342285 logGD-logG0= -0.010324 tlogG= -0.047304 logG= -0.057628 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010449 tlogG= -0.047937 logG= -0.058386 Density= 0.215898 ETOT(band)= -0.233716 trlgG= -0.294657 logG= -0.058386 TDE= -0.343108 logGD-logG0= -0.001419 tlogG= -0.007965 logG= -0.009384 Density= 0.070865 ETOT(band)= -0.077964 trlgG= -0.097452 logG= -0.009384 TDE= -0.056968 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214259 ETOT(band)= -0.233999 trlgG= -0.293298 logG= -0.057628 TDE= -0.341696 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047524 logG= -0.058048 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215701 ETOT(band)= -0.233600 trlgG= -0.294095 logG= -0.058048 TDE= -0.342787 logGD-logG0= -0.010534 tlogG= -0.046873 logG= -0.057407 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215430 ETOT(band)= -0.233365 trlgG= -0.293055 logG= -0.057407 TDE= -0.342253 logGD-logG0= -0.010094 tlogG= -0.046407 logG= -0.056501 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010581 tlogG= -0.048141 logG= -0.058722 Density= 0.215215 ETOT(band)= -0.232975 trlgG= -0.291612 logG= -0.056501 TDE= -0.341609 logGD-logG0= -0.010491 tlogG= -0.047416 logG= -0.057908 Density= 0.215424 ETOT(band)= -0.234172 trlgG= -0.295190 logG= -0.058722 TDE= -0.343070 Density= 0.215468 ETOT(band)= -0.233642 trlgG= -0.293856 logG= -0.057908 TDE= -0.342573 logGD-logG0= -0.010504 tlogG= -0.047886 logG= -0.058390 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215769 ETOT(band)= -0.233789 trlgG= -0.294660 logG= -0.058390 TDE= -0.343044 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004257 tlogG= -0.024130 logG= -0.028387 Density= 0.212165 ETOT(band)= -0.234418 trlgG= -0.293685 logG= -0.028387 TDE= -0.170997 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.047147 logG= -0.057153 Density= 0.215150 ETOT(band)= -0.233377 trlgG= -0.292630 logG= -0.057153 TDE= -0.341944 logGD-logG0= -0.009704 tlogG= -0.047220 logG= -0.056924 Density= 0.214475 ETOT(band)= -0.233566 trlgG= -0.292708 logG= -0.056924 TDE= -0.341917 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.021871 logG= -0.026823 Density= 0.108325 ETOT(band)= -0.115259 trlgG= -0.143493 logG= -0.026823 TDE= -0.170275 logGD-logG0= -0.001176 tlogG= -0.005170 logG= -0.006346 Density= 0.062540 ETOT(band)= -0.067555 trlgG= -0.084205 logG= -0.006346 TDE= -0.042363 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071496 ETOT(band)= -0.077360 trlgG= -0.096152 logG= -0.009146 TDE= -0.056744 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004785 tlogG= -0.020985 logG= -0.025769 Density= 0.108712 ETOT(band)= -0.114303 trlgG= -0.141654 logG= -0.025769 TDE= -0.169681 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021815 logG= -0.026846 Density= 0.107788 ETOT(band)= -0.115550 trlgG= -0.143555 logG= -0.026846 TDE= -0.170049 logGD-logG0= -0.004446 tlogG= -0.023585 logG= -0.028031 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.212613 ETOT(band)= -0.234036 trlgG= -0.292736 logG= -0.028031 TDE= -0.170713 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001195 tlogG= -0.005306 logG= -0.006501 Density= 0.081560 ETOT(band)= -0.085698 trlgG= -0.106203 logG= -0.006501 TDE= -0.042465 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.021692 logG= -0.026663 Density= 0.107932 ETOT(band)= -0.115357 trlgG= -0.143245 logG= -0.026663 TDE= -0.169993 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009937 tlogG= -0.043384 logG= -0.053321 Density= 0.216280 ETOT(band)= -0.230501 trlgG= -0.286466 logG= -0.053321 TDE= -0.340171 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005039 tlogG= -0.021876 logG= -0.026914 Density= 0.216630 ETOT(band)= -0.230318 trlgG= -0.286469 logG= -0.026914 TDE= -0.170243 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004906 tlogG= -0.022289 logG= -0.027195 Density= 0.214258 ETOT(band)= -0.232479 trlgG= -0.289435 logG= -0.027195 TDE= -0.170185 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005618 logG= -0.006846 Density= 0.080838 ETOT(band)= -0.086981 trlgG= -0.108604 logG= -0.006846 TDE= -0.042674 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023880 logG= -0.028755 Density= 0.213784 ETOT(band)= -0.234048 trlgG= -0.292999 logG= -0.028755 TDE= -0.170811 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023834 logG= -0.028626 Density= 0.213569 ETOT(band)= -0.234188 trlgG= -0.293736 logG= -0.028626 TDE= -0.171067 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023242 logG= -0.027982 logGD-logG0= -0.004609 tlogG= -0.023368 logG= -0.027978 Density= 0.214181 ETOT(band)= -0.233411 trlgG= -0.292329 logG= -0.027978 TDE= -0.170926 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213494 ETOT(band)= -0.233655 trlgG= -0.292219 logG= -0.027982 TDE= -0.170763 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023970 logG= -0.028505 Density= 0.212802 ETOT(band)= -0.234313 trlgG= -0.293483 logG= -0.028505 TDE= -0.170850 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005747 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087410 trlgG= -0.109608 logG= -0.006995 TDE= -0.042751 logGD-logG0= -0.001267 tlogG= -0.005938 logG= -0.007205 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080832 ETOT(band)= -0.087660 trlgG= -0.110360 logG= -0.007205 TDE= -0.042871 logGD-logG0= -0.001214 tlogG= -0.005467 logG= -0.006681 Density= 0.081201 ETOT(band)= -0.086367 trlgG= -0.107364 logG= -0.006681 TDE= -0.042577 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005983 logG= -0.007248 Density= 0.081062 ETOT(band)= -0.087562 trlgG= -0.110412 logG= -0.007248 TDE= -0.042901 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005855 logG= -0.007117 Density= 0.080648 ETOT(band)= -0.087625 trlgG= -0.110163 logG= -0.007117 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022324 logG= -0.027076 Density= 0.215028 ETOT(band)= -0.231989 trlgG= -0.289080 logG= -0.027076 TDE= -0.170272 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005182 tlogG= -0.023999 logG= -0.029181 logGD-logG0= -0.005146 tlogG= -0.023997 logG= -0.029142 Density= 0.216358 ETOT(band)= -0.233369 trlgG= -0.294335 logG= -0.029142 TDE= -0.171613 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215687 ETOT(band)= -0.233890 trlgG= -0.294815 logG= -0.029181 TDE= -0.171596 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023479 logG= -0.028689 Density= 0.215215 ETOT(band)= -0.233362 trlgG= -0.292897 logG= -0.028689 TDE= -0.171186 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.024004 logG= -0.028733 logGD-logG0= -0.005275 tlogG= -0.024120 logG= -0.029395 Density= 0.215720 ETOT(band)= -0.234046 trlgG= -0.295230 logG= -0.029395 TDE= -0.171628 Density= 0.321563 ETOT(band)= -0.351164 trlgG= -0.441328 logG= -0.028733 TDE= -0.171244 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023797 logG= -0.029012 Density= 0.215334 ETOT(band)= -0.233797 trlgG= -0.294160 logG= -0.029012 TDE= -0.171443 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010320 tlogG= -0.047781 logG= -0.058102 logGD-logG0= -0.005001 tlogG= -0.024160 logG= -0.029161 Density= 0.324355 ETOT(band)= -0.349960 trlgG= -0.441002 logG= -0.058102 TDE= -0.343066 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322439 ETOT(band)= -0.351274 trlgG= -0.442005 logG= -0.029161 TDE= -0.171249 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.006872 logG= -0.008440 Density= 0.040849 ETOT(band)= -0.042678 trlgG= -0.052794 logG= -0.008440 TDE= -0.056468 logGD-logG0= -0.005033 tlogG= -0.023842 logG= -0.028875 Density= 0.215496 ETOT(band)= -0.233792 trlgG= -0.294264 logG= -0.028875 TDE= -0.171131 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.022436 logG= -0.027513 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216372 ETOT(band)= -0.231317 trlgG= -0.288589 logG= -0.027513 TDE= -0.170584 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023738 logG= -0.028129 logGD-logG0= -0.005035 tlogG= -0.023955 logG= -0.028990 Density= 0.214337 ETOT(band)= -0.234132 trlgG= -0.293906 logG= -0.028990 TDE= -0.171082 Density= 0.213081 ETOT(band)= -0.233627 trlgG= -0.291760 logG= -0.028129 TDE= -0.170798 logGD-logG0= -0.005139 tlogG= -0.023954 logG= -0.029092 logGD-logG0= -0.004641 tlogG= -0.023365 logG= -0.028006 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216392 ETOT(band)= -0.233265 trlgG= -0.294103 logG= -0.029092 TDE= -0.171586 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321633 ETOT(band)= -0.350116 trlgG= -0.438750 logG= -0.028006 TDE= -0.170918 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010367 tlogG= -0.047230 logG= -0.057597 Density= 0.324136 ETOT(band)= -0.349594 trlgG= -0.439654 logG= -0.057597 TDE= -0.342674 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023412 logG= -0.028578 logGD-logG0= -0.005138 tlogG= -0.022965 logG= -0.028103 Density= 0.216227 ETOT(band)= -0.232115 trlgG= -0.290575 logG= -0.028103 TDE= -0.170919 Density= 0.216200 ETOT(band)= -0.232689 trlgG= -0.292191 logG= -0.028578 TDE= -0.171206 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045623 logG= -0.055716 logGD-logG0= -0.005159 tlogG= -0.023759 logG= -0.028918 Density= 0.324046 ETOT(band)= -0.347995 trlgG= -0.434948 logG= -0.055716 TDE= -0.341491 logGD-logG0= -0.009598 tlogG= -0.046600 logG= -0.056198 Density= 0.322704 ETOT(band)= -0.349067 trlgG= -0.436388 logG= -0.056198 TDE= -0.341646 Density= 0.216281 ETOT(band)= -0.233068 trlgG= -0.293398 logG= -0.028918 TDE= -0.171445 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023888 logG= -0.028449 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213276 ETOT(band)= -0.233902 trlgG= -0.292489 logG= -0.028449 TDE= -0.170801 logGD-logG0= -0.010606 tlogG= -0.048035 logG= -0.058641 logGD-logG0= -0.010365 tlogG= -0.046409 logG= -0.056774 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323248 ETOT(band)= -0.351036 trlgG= -0.442351 logG= -0.058641 TDE= -0.343060 Density= 0.323999 ETOT(band)= -0.348938 trlgG= -0.437569 logG= -0.056774 TDE= -0.342116 logGD-logG0= -0.005323 tlogG= -0.023896 logG= -0.029219 Density= 0.215647 ETOT(band)= -0.233792 trlgG= -0.294542 logG= -0.029219 TDE= -0.171452 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023241 logG= -0.028229 Density= 0.321699 ETOT(band)= -0.350622 trlgG= -0.439602 logG= -0.028229 TDE= -0.170872 logGD-logG0= -0.005207 tlogG= -0.024081 logG= -0.029288 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323062 ETOT(band)= -0.351245 trlgG= -0.442655 logG= -0.029288 TDE= -0.171442 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.024005 logG= -0.028702 Density= 0.214118 ETOT(band)= -0.234124 trlgG= -0.294123 logG= -0.028702 TDE= -0.171249 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022903 logG= -0.027828 Density= 0.214795 ETOT(band)= -0.232437 trlgG= -0.289680 logG= -0.027828 TDE= -0.170449 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023955 logG= -0.029263 Density= 0.323663 ETOT(band)= -0.350707 trlgG= -0.442093 logG= -0.029263 TDE= -0.171500 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.023682 logG= -0.029053 Density= 0.215408 ETOT(band)= -0.233645 trlgG= -0.293845 logG= -0.029053 TDE= -0.171274 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023192 logG= -0.028319 logGD-logG0= -0.008873 tlogG= -0.048092 logG= -0.056965 Density= 0.214866 ETOT(band)= -0.232990 trlgG= -0.291211 logG= -0.028319 TDE= -0.170637 Density= 0.425522 ETOT(band)= -0.468426 trlgG= -0.586454 logG= -0.056965 TDE= -0.341816 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023351 logG= -0.028745 Density= 0.215106 ETOT(band)= -0.233389 trlgG= -0.292705 logG= -0.028745 TDE= -0.170981 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009555 tlogG= -0.047835 logG= -0.057390 Density= 0.428030 ETOT(band)= -0.468233 trlgG= -0.587833 logG= -0.057390 TDE= -0.342302 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.048144 logG= -0.058203 logGD-logG0= -0.009363 tlogG= -0.046709 logG= -0.056072 Density= 0.429297 ETOT(band)= -0.468341 trlgG= -0.588601 logG= -0.058203 TDE= -0.342349 Density= 0.427885 ETOT(band)= -0.466207 trlgG= -0.581831 logG= -0.056072 TDE= -0.341256 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.021297 logG= -0.026163 Density= 0.162652 ETOT(band)= -0.173009 trlgG= -0.215905 logG= -0.026163 TDE= -0.169898 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.024155 logG= -0.029130 logGD-logG0= -0.009418 tlogG= -0.046602 logG= -0.056020 Density= 0.214740 ETOT(band)= -0.234203 trlgG= -0.294520 logG= -0.029130 TDE= -0.171254 Density= 0.428090 ETOT(band)= -0.466929 trlgG= -0.584438 logG= -0.056020 TDE= -0.341671 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010169 tlogG= -0.047664 logG= -0.057833 Density= 0.428284 ETOT(band)= -0.468215 trlgG= -0.587164 logG= -0.057833 TDE= -0.341943 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010228 tlogG= -0.047952 logG= -0.058179 Density= 0.429200 ETOT(band)= -0.468303 trlgG= -0.588247 logG= -0.058179 TDE= -0.342189 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.048217 logG= -0.058409 logGD-logG0= -0.009565 tlogG= -0.047646 logG= -0.057210 Density= 0.430035 ETOT(band)= -0.468343 trlgG= -0.589368 logG= -0.058409 TDE= -0.342564 Density= 0.426661 ETOT(band)= -0.468450 trlgG= -0.586970 logG= -0.057210 TDE= -0.341834 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048066 logG= -0.058468 Density= 0.430142 ETOT(band)= -0.468172 trlgG= -0.589040 logG= -0.058468 TDE= -0.342689 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047688 logG= -0.058361 Density= 0.431093 ETOT(band)= -0.467535 trlgG= -0.588682 logG= -0.058361 TDE= -0.342812 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.047724 logG= -0.058295 Density= 0.430751 ETOT(band)= -0.467593 trlgG= -0.588324 logG= -0.058295 TDE= -0.342706 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.046395 logG= -0.056242 Density= 0.429527 ETOT(band)= -0.465632 trlgG= -0.581502 logG= -0.056242 TDE= -0.341367 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009518 tlogG= -0.047765 logG= -0.057283 Density= 0.427166 ETOT(band)= -0.467998 trlgG= -0.585820 logG= -0.057283 TDE= -0.341536 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010597 tlogG= -0.048014 logG= -0.058610 logGD-logG0= -0.009731 tlogG= -0.047849 logG= -0.057580 Density= 0.429132 ETOT(band)= -0.468005 trlgG= -0.587802 logG= -0.057580 TDE= -0.342289 logGD-logG0= -0.010232 tlogG= -0.046925 logG= -0.057157 Density= 0.431334 ETOT(band)= -0.467817 trlgG= -0.589676 logG= -0.058610 TDE= -0.343077 Density= 0.429876 ETOT(band)= -0.466546 trlgG= -0.584200 logG= -0.057157 TDE= -0.341657 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010630 tlogG= -0.047263 logG= -0.057893 Density= 0.430480 ETOT(band)= -0.467170 trlgG= -0.586852 logG= -0.057893 TDE= -0.342322 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.022324 logG= -0.027117 Density= 0.322872 ETOT(band)= -0.348035 trlgG= -0.433997 logG= -0.027117 TDE= -0.170266 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009912 tlogG= -0.047555 logG= -0.057467 logGD-logG0= -0.010156 tlogG= -0.047565 logG= -0.057720 Density= 0.428602 ETOT(band)= -0.467559 trlgG= -0.586202 logG= -0.057467 TDE= -0.341988 Density= 0.430007 ETOT(band)= -0.467193 trlgG= -0.586130 logG= -0.057720 TDE= -0.342102 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009884 tlogG= -0.044616 logG= -0.054500 Density= 0.324290 ETOT(band)= -0.346724 trlgG= -0.431935 logG= -0.054500 TDE= -0.340813 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001680 tlogG= -0.007115 logG= -0.008795 Density= 0.072231 ETOT(band)= -0.076490 trlgG= -0.094836 logG= -0.008795 TDE= -0.056629 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004874 tlogG= -0.022471 logG= -0.027345 Density= 0.215022 ETOT(band)= -0.231700 trlgG= -0.288035 logG= -0.027345 TDE= -0.170198 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004949 tlogG= -0.021347 logG= -0.026296 Density= 0.217025 ETOT(band)= -0.229209 trlgG= -0.284263 logG= -0.026296 TDE= -0.169911 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004908 tlogG= -0.021202 logG= -0.026109 Density= 0.216348 ETOT(band)= -0.230071 trlgG= -0.285522 logG= -0.026109 TDE= -0.169817 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009732 tlogG= -0.044619 logG= -0.054351 Density= 0.431610 ETOT(band)= -0.462151 trlgG= -0.574712 logG= -0.054351 TDE= -0.340451 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.870124162795 eV TrLogG= -407.256732645326 eV Ratio to renormalize= 1.000034985096 rho-rho_expected=-0.000769645196 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 23) Finished k-point number 48 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 57) Finished k-point number 116 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964687603440833 0.940475994992316 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001392 tlogG= -0.008044 logG= -0.009436 logGD-logG0= -0.001473 tlogG= -0.007810 logG= -0.009283 Density= 0.035491 ETOT(band)= -0.038930 trlgG= -0.048604 logG= -0.009283 TDE= -0.056883 Density= 0.035312 ETOT(band)= -0.039082 trlgG= -0.048968 logG= -0.009436 TDE= -0.057007 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022404 logG= -0.027379 Density= 0.107633 ETOT(band)= -0.115977 trlgG= -0.144428 logG= -0.027379 TDE= -0.170312 logGD-logG0= -0.004671 tlogG= -0.022987 logG= -0.027657 Density= 0.106869 ETOT(band)= -0.116506 trlgG= -0.145193 logG= -0.027657 TDE= -0.170420 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001677 tlogG= -0.007304 logG= -0.008981 Density= 0.035843 ETOT(band)= -0.038580 trlgG= -0.047905 logG= -0.008981 TDE= -0.056661 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001612 tlogG= -0.006990 logG= -0.008601 Density= 0.036197 ETOT(band)= -0.038130 trlgG= -0.047243 logG= -0.008601 TDE= -0.056553 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021814 logG= -0.026845 Density= 0.107788 ETOT(band)= -0.115548 trlgG= -0.143553 logG= -0.026845 TDE= -0.170047 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.021691 logG= -0.026662 Density= 0.107932 ETOT(band)= -0.115355 trlgG= -0.143243 logG= -0.026662 TDE= -0.169991 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001046 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005851 logG= -0.001046 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.012080 logG= -0.014482 Density= 0.053583 ETOT(band)= -0.058552 trlgG= -0.073621 logG= -0.014482 TDE= -0.085655 logGD-logG0= -0.002307 tlogG= -0.011882 logG= -0.014188 Density= 0.053561 ETOT(band)= -0.058408 trlgG= -0.073259 logG= -0.014188 TDE= -0.085575 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012030 logG= -0.014614 Density= 0.053762 ETOT(band)= -0.058540 trlgG= -0.073678 logG= -0.014614 TDE= -0.085668 logGD-logG0= -0.002314 tlogG= -0.011446 logG= -0.013760 Density= 0.053736 ETOT(band)= -0.058077 trlgG= -0.072494 logG= -0.013760 TDE= -0.085326 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.022452 logG= -0.027452 Density= 0.108203 ETOT(band)= -0.115748 trlgG= -0.144548 logG= -0.027452 TDE= -0.170641 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023760 logG= -0.028873 Density= 0.108178 ETOT(band)= -0.116552 trlgG= -0.146806 logG= -0.028873 TDE= -0.171465 logGD-logG0= -0.002540 tlogG= -0.011982 logG= -0.014522 Density= 0.054138 ETOT(band)= -0.058301 trlgG= -0.073540 logG= -0.014522 TDE= -0.085808 logGD-logG0= -0.004283 tlogG= -0.024049 logG= -0.028332 Density= 0.106113 ETOT(band)= -0.117182 trlgG= -0.146778 logG= -0.028332 TDE= -0.170956 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023426 logG= -0.028535 Density= 0.108131 ETOT(band)= -0.116391 trlgG= -0.146270 logG= -0.028535 TDE= -0.171244 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004310 tlogG= -0.023972 logG= -0.028282 Density= 0.106165 ETOT(band)= -0.117138 trlgG= -0.146664 logG= -0.028282 TDE= -0.170918 logGD-logG0= -0.004507 tlogG= -0.024043 logG= -0.028550 logGD-logG0= -0.004917 tlogG= -0.022165 logG= -0.027081 Density= 0.108360 ETOT(band)= -0.115441 trlgG= -0.143939 logG= -0.027081 TDE= -0.170480 logGD-logG0= -0.005100 tlogG= -0.023946 logG= -0.029046 Density= 0.106384 ETOT(band)= -0.117170 trlgG= -0.146786 logG= -0.028550 TDE= -0.170881 logGD-logG0= -0.004826 tlogG= -0.022846 logG= -0.027672 Density= 0.108229 ETOT(band)= -0.116627 trlgG= -0.147084 logG= -0.029046 TDE= -0.171596 Density= 0.107747 ETOT(band)= -0.116105 trlgG= -0.144913 logG= -0.027672 TDE= -0.170559 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.024089 logG= -0.029046 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.022978 logG= -0.028045 Density= 0.107378 ETOT(band)= -0.117047 trlgG= -0.147124 logG= -0.029046 TDE= -0.171214 Density= 0.108135 ETOT(band)= -0.116121 trlgG= -0.145496 logG= -0.028045 TDE= -0.170961 logGD-logG0= -0.004584 tlogG= -0.023202 logG= -0.027787 logGD-logG0= -0.005090 tlogG= -0.023601 logG= -0.028691 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108204 ETOT(band)= -0.116437 trlgG= -0.146515 logG= -0.028691 TDE= -0.171368 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106733 ETOT(band)= -0.116637 trlgG= -0.145457 logG= -0.027787 TDE= -0.170487 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024084 logG= -0.029335 logGD-logG0= -0.005250 tlogG= -0.023680 logG= -0.028930 Density= 0.107229 ETOT(band)= -0.117017 trlgG= -0.146833 logG= -0.028930 TDE= -0.170966 Density= 0.107887 ETOT(band)= -0.116989 trlgG= -0.147565 logG= -0.029335 TDE= -0.171618 logGD-logG0= -0.005275 tlogG= -0.023898 logG= -0.029173 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002609 tlogG= -0.011986 logG= -0.014595 logGD-logG0= -0.004961 tlogG= -0.023639 logG= -0.028600 Density= 0.107751 ETOT(band)= -0.116947 trlgG= -0.147286 logG= -0.029173 TDE= -0.171433 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.023211 logG= -0.028271 Density= 0.053983 ETOT(band)= -0.058423 trlgG= -0.073661 logG= -0.014595 TDE= -0.085780 Density= 0.108194 ETOT(band)= -0.116214 trlgG= -0.145851 logG= -0.028271 TDE= -0.171120 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106975 ETOT(band)= -0.116946 trlgG= -0.146284 logG= -0.028600 TDE= -0.170620 logGD-logG0= -0.005193 tlogG= -0.023963 logG= -0.029156 Density= 0.107443 ETOT(band)= -0.117068 trlgG= -0.147228 logG= -0.029156 TDE= -0.171240 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023684 logG= -0.028478 Density= 0.107377 ETOT(band)= -0.116737 trlgG= -0.146382 logG= -0.028478 TDE= -0.171040 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004995 tlogG= -0.022729 logG= -0.027724 logGD-logG0= -0.005087 tlogG= -0.023867 logG= -0.028955 Density= 0.108250 ETOT(band)= -0.116563 trlgG= -0.146935 logG= -0.028955 TDE= -0.171548 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108249 ETOT(band)= -0.115884 trlgG= -0.144984 logG= -0.027724 TDE= -0.170827 logGD-logG0= -0.004867 tlogG= -0.023889 logG= -0.028756 Density= 0.106754 ETOT(band)= -0.117129 trlgG= -0.146897 logG= -0.028756 TDE= -0.170968 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.023683 logG= -0.028354 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023497 logG= -0.028194 Density= 0.106973 ETOT(band)= -0.116857 trlgG= -0.146474 logG= -0.028354 TDE= -0.171055 Density= 0.106770 ETOT(band)= -0.116828 trlgG= -0.145940 logG= -0.028194 TDE= -0.170582 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.022871 logG= -0.027945 Density= 0.107615 ETOT(band)= -0.116310 trlgG= -0.145325 logG= -0.027945 TDE= -0.170633 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024067 logG= -0.029310 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107642 ETOT(band)= -0.117082 trlgG= -0.147501 logG= -0.029310 TDE= -0.171458 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.024066 logG= -0.028910 Density= 0.107054 ETOT(band)= -0.117110 trlgG= -0.147151 logG= -0.028910 TDE= -0.171217 logGD-logG0= -0.005266 tlogG= -0.023191 logG= -0.028457 Density= 0.107682 ETOT(band)= -0.116558 trlgG= -0.146135 logG= -0.028457 TDE= -0.170964 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.022848 logG= -0.027552 Density= 0.107295 ETOT(band)= -0.116251 trlgG= -0.145040 logG= -0.027552 TDE= -0.170584 logGD-logG0= -0.005237 tlogG= -0.023866 logG= -0.029104 Density= 0.107915 ETOT(band)= -0.116815 trlgG= -0.147179 logG= -0.029104 TDE= -0.171477 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009396 tlogG= -0.045753 logG= -0.055149 Density= 0.215016 ETOT(band)= -0.232335 trlgG= -0.289981 logG= -0.055149 TDE= -0.341233 logGD-logG0= -0.005275 tlogG= -0.023576 logG= -0.028851 logGD-logG0= -0.004642 tlogG= -0.023665 logG= -0.028308 Density= 0.107799 ETOT(band)= -0.116719 trlgG= -0.146764 logG= -0.028851 TDE= -0.171258 logGD-logG0= -0.009710 tlogG= -0.048237 logG= -0.057947 logGD-logG0= -0.005226 tlogG= -0.024055 logG= -0.029281 logGD-logG0= -0.009676 tlogG= -0.045583 logG= -0.055259 Density= 0.106594 ETOT(band)= -0.116975 trlgG= -0.146370 logG= -0.028308 TDE= -0.170811 Density= 0.214360 ETOT(band)= -0.232687 trlgG= -0.290161 logG= -0.055259 TDE= -0.340977 Density= 0.214398 ETOT(band)= -0.234177 trlgG= -0.294375 logG= -0.057947 TDE= -0.342523 logGD-logG0= -0.005284 tlogG= -0.024130 logG= -0.029414 logGD-logG0= -0.009033 tlogG= -0.047626 logG= -0.056659 Density= 0.212919 ETOT(band)= -0.234074 trlgG= -0.292874 logG= -0.056659 TDE= -0.341578 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107947 ETOT(band)= -0.116921 trlgG= -0.147476 logG= -0.029281 TDE= -0.171612 Density= 0.107810 ETOT(band)= -0.117077 trlgG= -0.147690 logG= -0.029414 TDE= -0.171627 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001419 tlogG= -0.007965 logG= -0.009383 Density= 0.070864 ETOT(band)= -0.077963 trlgG= -0.097450 logG= -0.009383 TDE= -0.056968 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009576 tlogG= -0.047153 logG= -0.056729 logGD-logG0= -0.009463 tlogG= -0.047925 logG= -0.057388 Density= 0.213762 ETOT(band)= -0.233773 trlgG= -0.292801 logG= -0.056729 TDE= -0.341852 Density= 0.213266 ETOT(band)= -0.234283 trlgG= -0.293518 logG= -0.057388 TDE= -0.341665 logGD-logG0= -0.010432 tlogG= -0.047740 logG= -0.058172 logGD-logG0= -0.009736 tlogG= -0.047149 logG= -0.056885 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214755 ETOT(band)= -0.234100 trlgG= -0.294210 logG= -0.058172 TDE= -0.342309 Density= 0.213773 ETOT(band)= -0.233817 trlgG= -0.292593 logG= -0.056885 TDE= -0.341493 logGD-logG0= -0.009856 tlogG= -0.047894 logG= -0.057750 Density= 0.213965 ETOT(band)= -0.234217 trlgG= -0.294065 logG= -0.057750 TDE= -0.342196 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002384 tlogG= -0.010423 logG= -0.012807 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009349 tlogG= -0.047441 logG= -0.056789 Density= 0.214308 ETOT(band)= -0.233602 trlgG= -0.292930 logG= -0.056789 TDE= -0.342191 Density= 0.054379 ETOT(band)= -0.057078 trlgG= -0.070686 logG= -0.012807 TDE= -0.084789 logGD-logG0= -0.010387 tlogG= -0.048075 logG= -0.058462 logGD-logG0= -0.010096 tlogG= -0.047654 logG= -0.057750 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010236 tlogG= -0.047973 logG= -0.058208 Density= 0.215072 ETOT(band)= -0.234008 trlgG= -0.294304 logG= -0.058208 TDE= -0.342524 logGD-logG0= -0.009979 tlogG= -0.048022 logG= -0.058002 Density= 0.214529 ETOT(band)= -0.234124 trlgG= -0.294124 logG= -0.058002 TDE= -0.342282 Density= 0.215070 ETOT(band)= -0.234153 trlgG= -0.294720 logG= -0.058462 TDE= -0.342686 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213945 ETOT(band)= -0.234204 trlgG= -0.293817 logG= -0.057750 TDE= -0.341938 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009781 tlogG= -0.045642 logG= -0.055423 Density= 0.215148 ETOT(band)= -0.232410 trlgG= -0.289973 logG= -0.055423 TDE= -0.341016 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047780 logG= -0.058076 logGD-logG0= -0.010525 tlogG= -0.047522 logG= -0.058046 Density= 0.215701 ETOT(band)= -0.233597 trlgG= -0.294090 logG= -0.058046 TDE= -0.342783 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214654 ETOT(band)= -0.234094 trlgG= -0.294041 logG= -0.058076 TDE= -0.342186 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010468 tlogG= -0.048008 logG= -0.058477 Density= 0.215106 ETOT(band)= -0.234144 trlgG= -0.294747 logG= -0.058477 TDE= -0.342716 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047302 logG= -0.057626 Density= 0.214258 ETOT(band)= -0.233996 trlgG= -0.293292 logG= -0.057626 TDE= -0.341692 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.048139 logG= -0.058720 logGD-logG0= -0.010094 tlogG= -0.046405 logG= -0.056499 Density= 0.215214 ETOT(band)= -0.232972 trlgG= -0.291606 logG= -0.056499 TDE= -0.341605 Density= 0.215423 ETOT(band)= -0.234169 trlgG= -0.295184 logG= -0.058720 TDE= -0.343066 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010450 tlogG= -0.047934 logG= -0.058384 logGD-logG0= -0.010491 tlogG= -0.047414 logG= -0.057905 Density= 0.215898 ETOT(band)= -0.233713 trlgG= -0.294652 logG= -0.058384 TDE= -0.343104 logGD-logG0= -0.010534 tlogG= -0.046871 logG= -0.057405 Density= 0.215429 ETOT(band)= -0.233362 trlgG= -0.293049 logG= -0.057405 TDE= -0.342249 Density= 0.215468 ETOT(band)= -0.233638 trlgG= -0.293850 logG= -0.057905 TDE= -0.342569 logGD-logG0= -0.009704 tlogG= -0.047218 logG= -0.056922 Density= 0.214474 ETOT(band)= -0.233562 trlgG= -0.292703 logG= -0.056922 TDE= -0.341914 logGD-logG0= -0.002444 tlogG= -0.010839 logG= -0.013283 Density= 0.054063 ETOT(band)= -0.057596 trlgG= -0.071534 logG= -0.013283 TDE= -0.085004 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010504 tlogG= -0.047883 logG= -0.058388 Density= 0.215769 ETOT(band)= -0.233786 trlgG= -0.294654 logG= -0.058388 TDE= -0.343040 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022902 logG= -0.027827 Density= 0.214794 ETOT(band)= -0.232433 trlgG= -0.289674 logG= -0.027827 TDE= -0.170448 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001558 tlogG= -0.007587 logG= -0.009145 Density= 0.071496 ETOT(band)= -0.077359 trlgG= -0.096150 logG= -0.009145 TDE= -0.056743 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.021870 logG= -0.026822 logGD-logG0= -0.010006 tlogG= -0.047145 logG= -0.057151 Density= 0.215150 ETOT(band)= -0.233374 trlgG= -0.292624 logG= -0.057151 TDE= -0.341940 Density= 0.108325 ETOT(band)= -0.115257 trlgG= -0.143490 logG= -0.026822 TDE= -0.170273 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001176 tlogG= -0.005170 logG= -0.006346 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.062540 ETOT(band)= -0.067554 trlgG= -0.084204 logG= -0.006346 TDE= -0.042363 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004866 tlogG= -0.021559 logG= -0.026425 Density= 0.108516 ETOT(band)= -0.114890 trlgG= -0.142809 logG= -0.026425 TDE= -0.170084 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004785 tlogG= -0.020984 logG= -0.025768 Density= 0.108712 ETOT(band)= -0.114302 trlgG= -0.141652 logG= -0.025768 TDE= -0.169680 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001680 tlogG= -0.007115 logG= -0.008795 Density= 0.072231 ETOT(band)= -0.076489 trlgG= -0.094834 logG= -0.008795 TDE= -0.056628 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004874 tlogG= -0.022470 logG= -0.027344 Density= 0.215021 ETOT(band)= -0.231697 trlgG= -0.288029 logG= -0.027344 TDE= -0.170196 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009937 tlogG= -0.043381 logG= -0.053319 Density= 0.216279 ETOT(band)= -0.230498 trlgG= -0.286460 logG= -0.053319 TDE= -0.340167 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004906 tlogG= -0.022288 logG= -0.027194 Density= 0.214257 ETOT(band)= -0.232476 trlgG= -0.289430 logG= -0.027194 TDE= -0.170183 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004908 tlogG= -0.021201 logG= -0.026108 Density= 0.216348 ETOT(band)= -0.230068 trlgG= -0.285517 logG= -0.026108 TDE= -0.169816 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005618 logG= -0.006845 Density= 0.080837 ETOT(band)= -0.086980 trlgG= -0.108602 logG= -0.006845 TDE= -0.042674 logGD-logG0= -0.001248 tlogG= -0.005747 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087409 trlgG= -0.109605 logG= -0.006995 TDE= -0.042750 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023969 logG= -0.028504 Density= 0.212802 ETOT(band)= -0.234310 trlgG= -0.293478 logG= -0.028504 TDE= -0.170848 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023411 logG= -0.028577 Density= 0.216199 ETOT(band)= -0.232685 trlgG= -0.292186 logG= -0.028577 TDE= -0.171204 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023879 logG= -0.028754 Density= 0.213783 ETOT(band)= -0.234045 trlgG= -0.292993 logG= -0.028754 TDE= -0.170809 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.024003 logG= -0.028700 Density= 0.214117 ETOT(band)= -0.234121 trlgG= -0.294118 logG= -0.028700 TDE= -0.171247 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023350 logG= -0.028744 Density= 0.215105 ETOT(band)= -0.233385 trlgG= -0.292699 logG= -0.028744 TDE= -0.170979 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.023191 logG= -0.028318 Density= 0.214866 ETOT(band)= -0.232987 trlgG= -0.291205 logG= -0.028318 TDE= -0.170635 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005938 logG= -0.007205 Density= 0.080832 ETOT(band)= -0.087659 trlgG= -0.110357 logG= -0.007205 TDE= -0.042870 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005854 logG= -0.007117 Density= 0.080648 ETOT(band)= -0.087624 trlgG= -0.110161 logG= -0.007117 TDE= -0.042816 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.022435 logG= -0.027512 Density= 0.216371 ETOT(band)= -0.231314 trlgG= -0.288583 logG= -0.027512 TDE= -0.170582 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023954 logG= -0.028989 Density= 0.214337 ETOT(band)= -0.234129 trlgG= -0.293900 logG= -0.028989 TDE= -0.171080 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023796 logG= -0.029011 Density= 0.215334 ETOT(band)= -0.233793 trlgG= -0.294154 logG= -0.029011 TDE= -0.171441 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.022963 logG= -0.028102 Density= 0.216226 ETOT(band)= -0.232112 trlgG= -0.290570 logG= -0.028102 TDE= -0.170917 logGD-logG0= -0.001265 tlogG= -0.005983 logG= -0.007248 Density= 0.081061 ETOT(band)= -0.087561 trlgG= -0.110410 logG= -0.007248 TDE= -0.042900 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023833 logG= -0.028625 Density= 0.213568 ETOT(band)= -0.234184 trlgG= -0.293730 logG= -0.028625 TDE= -0.171065 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.023997 logG= -0.029180 Density= 0.215687 ETOT(band)= -0.233886 trlgG= -0.294809 logG= -0.029180 TDE= -0.171594 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023478 logG= -0.028688 Density= 0.215214 ETOT(band)= -0.233359 trlgG= -0.292891 logG= -0.028688 TDE= -0.171184 logGD-logG0= -0.005146 tlogG= -0.023996 logG= -0.029141 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216358 ETOT(band)= -0.233366 trlgG= -0.294329 logG= -0.029141 TDE= -0.171611 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023367 logG= -0.027976 Density= 0.214180 ETOT(band)= -0.233407 trlgG= -0.292324 logG= -0.027976 TDE= -0.170925 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004257 tlogG= -0.024129 logG= -0.028386 Density= 0.212164 ETOT(band)= -0.234415 trlgG= -0.293680 logG= -0.028386 TDE= -0.170995 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023841 logG= -0.028874 Density= 0.215496 ETOT(band)= -0.233789 trlgG= -0.294258 logG= -0.028874 TDE= -0.171129 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024119 logG= -0.029394 Density= 0.215719 ETOT(band)= -0.234042 trlgG= -0.295224 logG= -0.029394 TDE= -0.171626 logGD-logG0= -0.004730 tlogG= -0.024002 logG= -0.028732 Density= 0.321562 ETOT(band)= -0.351159 trlgG= -0.441320 logG= -0.028732 TDE= -0.171242 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045621 logG= -0.055714 Density= 0.324045 ETOT(band)= -0.347990 trlgG= -0.434940 logG= -0.055714 TDE= -0.341487 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004641 tlogG= -0.023364 logG= -0.028005 logGD-logG0= -0.005159 tlogG= -0.023758 logG= -0.028917 logGD-logG0= -0.004446 tlogG= -0.023584 logG= -0.028029 Density= 0.216280 ETOT(band)= -0.233064 trlgG= -0.293393 logG= -0.028917 TDE= -0.171443 Density= 0.321632 ETOT(band)= -0.350111 trlgG= -0.438742 logG= -0.028005 TDE= -0.170916 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212612 ETOT(band)= -0.234033 trlgG= -0.292730 logG= -0.028029 TDE= -0.170712 logGD-logG0= -0.010321 tlogG= -0.047779 logG= -0.058099 logGD-logG0= -0.001568 tlogG= -0.006872 logG= -0.008440 Density= 0.040849 ETOT(band)= -0.042678 trlgG= -0.052793 logG= -0.008440 TDE= -0.056467 logGD-logG0= -0.004976 tlogG= -0.024154 logG= -0.029129 Density= 0.324354 ETOT(band)= -0.349955 trlgG= -0.440993 logG= -0.058099 TDE= -0.343062 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214739 ETOT(band)= -0.234200 trlgG= -0.294514 logG= -0.029129 TDE= -0.171252 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004560 tlogG= -0.023887 logG= -0.028448 logGD-logG0= -0.004390 tlogG= -0.023737 logG= -0.028128 Density= 0.213081 ETOT(band)= -0.233624 trlgG= -0.291755 logG= -0.028128 TDE= -0.170797 logGD-logG0= -0.004988 tlogG= -0.023240 logG= -0.028228 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321698 ETOT(band)= -0.350617 trlgG= -0.439594 logG= -0.028228 TDE= -0.170870 Density= 0.213276 ETOT(band)= -0.233899 trlgG= -0.292483 logG= -0.028448 TDE= -0.170800 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023241 logG= -0.027981 logGD-logG0= -0.009598 tlogG= -0.046598 logG= -0.056196 Density= 0.213494 ETOT(band)= -0.233651 trlgG= -0.292213 logG= -0.027981 TDE= -0.170761 Density= 0.322704 ETOT(band)= -0.349062 trlgG= -0.436380 logG= -0.056196 TDE= -0.341642 logGD-logG0= -0.010368 tlogG= -0.047227 logG= -0.057595 logGD-logG0= -0.005001 tlogG= -0.024159 logG= -0.029160 Density= 0.322438 ETOT(band)= -0.351269 trlgG= -0.441996 logG= -0.029160 TDE= -0.171247 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023953 logG= -0.029091 Density= 0.216392 ETOT(band)= -0.233262 trlgG= -0.294097 logG= -0.029091 TDE= -0.171584 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010606 tlogG= -0.048033 logG= -0.058639 Density= 0.324135 ETOT(band)= -0.349588 trlgG= -0.439646 logG= -0.057595 TDE= -0.342670 logGD-logG0= -0.005207 tlogG= -0.024080 logG= -0.029287 logGD-logG0= -0.005323 tlogG= -0.023894 logG= -0.029218 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215646 ETOT(band)= -0.233789 trlgG= -0.294536 logG= -0.029218 TDE= -0.171450 Density= 0.323061 ETOT(band)= -0.351240 trlgG= -0.442646 logG= -0.029287 TDE= -0.171440 Density= 0.323247 ETOT(band)= -0.351031 trlgG= -0.442342 logG= -0.058639 TDE= -0.343056 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010366 tlogG= -0.046406 logG= -0.056772 Density= 0.323998 ETOT(band)= -0.348933 trlgG= -0.437560 logG= -0.056772 TDE= -0.342112 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008872 tlogG= -0.048090 logG= -0.056963 Density= 0.425520 ETOT(band)= -0.468419 trlgG= -0.586443 logG= -0.056963 TDE= -0.341812 logGD-logG0= -0.005308 tlogG= -0.023954 logG= -0.029262 Density= 0.323662 ETOT(band)= -0.350702 trlgG= -0.442085 logG= -0.029262 TDE= -0.171498 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023680 logG= -0.029052 Density= 0.215407 ETOT(band)= -0.233642 trlgG= -0.293839 logG= -0.029052 TDE= -0.171272 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009363 tlogG= -0.046707 logG= -0.056070 Density= 0.427884 ETOT(band)= -0.466201 trlgG= -0.581820 logG= -0.056070 TDE= -0.341252 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.048142 logG= -0.058200 Density= 0.429296 ETOT(band)= -0.468334 trlgG= -0.588590 logG= -0.058200 TDE= -0.342345 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009555 tlogG= -0.047833 logG= -0.057388 logGD-logG0= -0.001214 tlogG= -0.005467 logG= -0.006681 Density= 0.081201 ETOT(band)= -0.086365 trlgG= -0.107362 logG= -0.006681 TDE= -0.042576 logGD-logG0= -0.010228 tlogG= -0.047950 logG= -0.058177 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010673 tlogG= -0.047686 logG= -0.058359 Density= 0.429198 ETOT(band)= -0.468296 trlgG= -0.588236 logG= -0.058177 TDE= -0.342185 Density= 0.428029 ETOT(band)= -0.468226 trlgG= -0.587822 logG= -0.057388 TDE= -0.342299 logGD-logG0= -0.010169 tlogG= -0.047661 logG= -0.057831 Density= 0.428283 ETOT(band)= -0.468209 trlgG= -0.587153 logG= -0.057831 TDE= -0.341940 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431092 ETOT(band)= -0.467528 trlgG= -0.588671 logG= -0.058359 TDE= -0.342808 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009731 tlogG= -0.047846 logG= -0.057578 Density= 0.429130 ETOT(band)= -0.467999 trlgG= -0.587791 logG= -0.057578 TDE= -0.342285 logGD-logG0= -0.009418 tlogG= -0.046600 logG= -0.056018 Density= 0.428089 ETOT(band)= -0.466922 trlgG= -0.584427 logG= -0.056018 TDE= -0.341668 logGD-logG0= -0.009564 tlogG= -0.047644 logG= -0.057208 Density= 0.426660 ETOT(band)= -0.468443 trlgG= -0.586959 logG= -0.057208 TDE= -0.341830 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048063 logG= -0.058466 Density= 0.430141 ETOT(band)= -0.468166 trlgG= -0.589028 logG= -0.058466 TDE= -0.342685 logGD-logG0= -0.004867 tlogG= -0.021296 logG= -0.026162 Density= 0.162651 ETOT(band)= -0.173006 trlgG= -0.215900 logG= -0.026162 TDE= -0.169896 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.047721 logG= -0.058293 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010192 tlogG= -0.048214 logG= -0.058407 Density= 0.430750 ETOT(band)= -0.467587 trlgG= -0.588312 logG= -0.058293 TDE= -0.342702 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430034 ETOT(band)= -0.468336 trlgG= -0.589357 logG= -0.058407 TDE= -0.342560 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009518 tlogG= -0.047763 logG= -0.057281 Density= 0.427165 ETOT(band)= -0.467991 trlgG= -0.585809 logG= -0.057281 TDE= -0.341532 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047552 logG= -0.057465 Density= 0.428600 ETOT(band)= -0.467552 trlgG= -0.586191 logG= -0.057465 TDE= -0.341984 logGD-logG0= -0.009847 tlogG= -0.046393 logG= -0.056240 Density= 0.429526 ETOT(band)= -0.465625 trlgG= -0.581491 logG= -0.056240 TDE= -0.341363 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010232 tlogG= -0.046923 logG= -0.057155 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429875 ETOT(band)= -0.466540 trlgG= -0.584188 logG= -0.057155 TDE= -0.341653 logGD-logG0= -0.004752 tlogG= -0.022323 logG= -0.027075 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215027 ETOT(band)= -0.231986 trlgG= -0.289075 logG= -0.027075 TDE= -0.170270 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010597 tlogG= -0.048011 logG= -0.058608 logGD-logG0= -0.004793 tlogG= -0.022323 logG= -0.027116 Density= 0.431333 ETOT(band)= -0.467810 trlgG= -0.589664 logG= -0.058608 TDE= -0.343073 Density= 0.322871 ETOT(band)= -0.348030 trlgG= -0.433989 logG= -0.027116 TDE= -0.170264 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010631 tlogG= -0.047260 logG= -0.057891 Density= 0.430478 ETOT(band)= -0.467163 trlgG= -0.586841 logG= -0.057891 TDE= -0.342318 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001195 tlogG= -0.005306 logG= -0.006501 Density= 0.081560 ETOT(band)= -0.085696 trlgG= -0.106201 logG= -0.006501 TDE= -0.042465 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010156 tlogG= -0.047563 logG= -0.057718 Density= 0.430006 ETOT(band)= -0.467186 trlgG= -0.586119 logG= -0.057718 TDE= -0.342098 logGD-logG0= -0.009884 tlogG= -0.044614 logG= -0.054498 Density= 0.324289 ETOT(band)= -0.346719 trlgG= -0.431927 logG= -0.054498 TDE= -0.340809 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.021875 logG= -0.026913 Density= 0.216630 ETOT(band)= -0.230314 trlgG= -0.286464 logG= -0.026913 TDE= -0.170241 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004949 tlogG= -0.021346 logG= -0.026295 Density= 0.217024 ETOT(band)= -0.229205 trlgG= -0.284257 logG= -0.026295 TDE= -0.169909 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009732 tlogG= -0.044617 logG= -0.054349 Density= 0.431609 ETOT(band)= -0.462144 trlgG= -0.574701 logG= -0.054349 TDE= -0.340448 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.865472795002 eV TrLogG= -407.248472163189 eV Ratio to renormalize= 1.000037967255 rho-rho_expected=-0.000835247904 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 79) Finished k-point number 160 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964706201980155 0.940496086664285 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004916 tlogG= -0.022168 logG= -0.027084 Density= 0.108360 ETOT(band)= -0.115446 trlgG= -0.143947 logG= -0.027084 TDE= -0.170485 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004508 tlogG= -0.024045 logG= -0.028553 Density= 0.106385 ETOT(band)= -0.117174 trlgG= -0.146793 logG= -0.028553 TDE= -0.170885 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004642 tlogG= -0.023668 logG= -0.028311 Density= 0.106595 ETOT(band)= -0.116980 trlgG= -0.146378 logG= -0.028311 TDE= -0.170816 logGD-logG0= -0.005074 tlogG= -0.022874 logG= -0.027948 Density= 0.107615 ETOT(band)= -0.116315 trlgG= -0.145333 logG= -0.027948 TDE= -0.170638 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.023686 logG= -0.028358 Density= 0.106974 ETOT(band)= -0.116861 trlgG= -0.146482 logG= -0.028358 TDE= -0.171060 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023195 logG= -0.028460 Density= 0.107683 ETOT(band)= -0.116563 trlgG= -0.146143 logG= -0.028460 TDE= -0.170969 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.023974 logG= -0.028285 Density= 0.106166 ETOT(band)= -0.117143 trlgG= -0.146672 logG= -0.028285 TDE= -0.170923 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023205 logG= -0.027790 Density= 0.106734 ETOT(band)= -0.116642 trlgG= -0.145464 logG= -0.027790 TDE= -0.170491 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022407 logG= -0.027382 Density= 0.107634 ETOT(band)= -0.115981 trlgG= -0.144437 logG= -0.027382 TDE= -0.170317 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009284 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048606 logG= -0.009284 TDE= -0.056884 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001611 tlogG= -0.006991 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047246 logG= -0.008602 TDE= -0.056555 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001392 tlogG= -0.008044 logG= -0.009437 Density= 0.035312 ETOT(band)= -0.039084 trlgG= -0.048971 logG= -0.009437 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024051 logG= -0.028335 Density= 0.106114 ETOT(band)= -0.117187 trlgG= -0.146785 logG= -0.028335 TDE= -0.170960 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012032 logG= -0.014616 Density= 0.053763 ETOT(band)= -0.058543 trlgG= -0.073682 logG= -0.014616 TDE= -0.085671 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.022989 logG= -0.027661 Density= 0.106870 ETOT(band)= -0.116510 trlgG= -0.145201 logG= -0.027661 TDE= -0.170425 logGD-logG0= -0.004865 tlogG= -0.021563 logG= -0.026428 Density= 0.108516 ETOT(band)= -0.114895 trlgG= -0.142818 logG= -0.026428 TDE= -0.170089 logGD-logG0= -0.002402 tlogG= -0.012082 logG= -0.014484 Density= 0.053584 ETOT(band)= -0.058555 trlgG= -0.073625 logG= -0.014484 TDE= -0.085657 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004784 tlogG= -0.020987 logG= -0.025772 Density= 0.108713 ETOT(band)= -0.114306 trlgG= -0.141660 logG= -0.025772 TDE= -0.169685 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002540 tlogG= -0.011984 logG= -0.014524 Density= 0.054138 ETOT(band)= -0.058304 trlgG= -0.073544 logG= -0.014524 TDE= -0.085811 logGD-logG0= -0.002314 tlogG= -0.011448 logG= -0.013761 Density= 0.053736 ETOT(band)= -0.058079 trlgG= -0.072498 logG= -0.013761 TDE= -0.085328 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.023950 logG= -0.029049 Density= 0.108230 ETOT(band)= -0.116632 trlgG= -0.147093 logG= -0.029049 TDE= -0.171601 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023500 logG= -0.028197 Density= 0.106771 ETOT(band)= -0.116833 trlgG= -0.145948 logG= -0.028197 TDE= -0.170587 logGD-logG0= -0.002609 tlogG= -0.011988 logG= -0.014597 logGD-logG0= -0.005108 tlogG= -0.023430 logG= -0.028538 logGD-logG0= -0.005067 tlogG= -0.022982 logG= -0.028048 Density= 0.108136 ETOT(band)= -0.116126 trlgG= -0.145504 logG= -0.028048 TDE= -0.170967 Density= 0.053983 ETOT(band)= -0.058425 trlgG= -0.073666 logG= -0.014597 TDE= -0.085782 Density= 0.108132 ETOT(band)= -0.116396 trlgG= -0.146279 logG= -0.028538 TDE= -0.171250 logGD-logG0= -0.004793 tlogG= -0.023688 logG= -0.028481 logGD-logG0= -0.005113 tlogG= -0.023763 logG= -0.028876 Density= 0.108179 ETOT(band)= -0.116557 trlgG= -0.146814 logG= -0.028876 TDE= -0.171471 logGD-logG0= -0.002307 tlogG= -0.011883 logG= -0.014190 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024070 logG= -0.029313 Density= 0.107378 ETOT(band)= -0.116741 trlgG= -0.146390 logG= -0.028481 TDE= -0.171045 Density= 0.053561 ETOT(band)= -0.058411 trlgG= -0.073263 logG= -0.014190 TDE= -0.085577 logGD-logG0= -0.004827 tlogG= -0.022849 logG= -0.027675 Density= 0.107747 ETOT(band)= -0.116110 trlgG= -0.144921 logG= -0.027675 TDE= -0.170564 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107642 ETOT(band)= -0.117086 trlgG= -0.147510 logG= -0.029313 TDE= -0.171464 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.022456 logG= -0.027455 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108204 ETOT(band)= -0.115753 trlgG= -0.144556 logG= -0.027455 TDE= -0.170646 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024133 logG= -0.029417 logGD-logG0= -0.004957 tlogG= -0.024092 logG= -0.029049 Density= 0.107811 ETOT(band)= -0.117082 trlgG= -0.147699 logG= -0.029417 TDE= -0.171632 Density= 0.107379 ETOT(band)= -0.117052 trlgG= -0.147131 logG= -0.029049 TDE= -0.171219 logGD-logG0= -0.005087 tlogG= -0.023871 logG= -0.028958 logGD-logG0= -0.005251 tlogG= -0.024087 logG= -0.029338 Density= 0.108251 ETOT(band)= -0.116567 trlgG= -0.146944 logG= -0.028958 TDE= -0.171554 Density= 0.107888 ETOT(band)= -0.116993 trlgG= -0.147573 logG= -0.029338 TDE= -0.171623 logGD-logG0= -0.004971 tlogG= -0.021694 logG= -0.026665 Density= 0.107932 ETOT(band)= -0.115360 trlgG= -0.143251 logG= -0.026665 TDE= -0.169996 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023605 logG= -0.028694 Density= 0.108205 ETOT(band)= -0.116442 trlgG= -0.146523 logG= -0.028694 TDE= -0.171374 logGD-logG0= -0.001677 tlogG= -0.007304 logG= -0.008982 Density= 0.035844 ETOT(band)= -0.038582 trlgG= -0.047908 logG= -0.008982 TDE= -0.056663 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004961 tlogG= -0.023642 logG= -0.028604 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023901 logG= -0.029176 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.106976 ETOT(band)= -0.116950 trlgG= -0.146292 logG= -0.028604 TDE= -0.170625 Density= 0.107752 ETOT(band)= -0.116952 trlgG= -0.147294 logG= -0.029176 TDE= -0.171439 logGD-logG0= -0.004994 tlogG= -0.022733 logG= -0.027727 Density= 0.108249 ETOT(band)= -0.115889 trlgG= -0.144992 logG= -0.027727 TDE= -0.170832 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.023892 logG= -0.028759 logGD-logG0= -0.002383 tlogG= -0.010425 logG= -0.012809 Density= 0.106755 ETOT(band)= -0.117134 trlgG= -0.146905 logG= -0.028759 TDE= -0.170973 Density= 0.054379 ETOT(band)= -0.057080 trlgG= -0.070690 logG= -0.012809 TDE= -0.084791 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004844 tlogG= -0.024069 logG= -0.028913 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107055 ETOT(band)= -0.117114 trlgG= -0.147159 logG= -0.028913 TDE= -0.171222 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023967 logG= -0.029159 Density= 0.107443 ETOT(band)= -0.117073 trlgG= -0.147237 logG= -0.029159 TDE= -0.171246 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.024058 logG= -0.029284 Density= 0.107947 ETOT(band)= -0.116926 trlgG= -0.147484 logG= -0.029284 TDE= -0.171618 logGD-logG0= -0.005237 tlogG= -0.023870 logG= -0.029107 Density= 0.107916 ETOT(band)= -0.116819 trlgG= -0.147187 logG= -0.029107 TDE= -0.171483 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023579 logG= -0.028854 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.048244 logG= -0.057954 Density= 0.107800 ETOT(band)= -0.116724 trlgG= -0.146772 logG= -0.028854 TDE= -0.171263 Density= 0.214400 ETOT(band)= -0.234186 trlgG= -0.294391 logG= -0.057954 TDE= -0.342533 logGD-logG0= -0.009396 tlogG= -0.045759 logG= -0.055156 Density= 0.215018 ETOT(band)= -0.232344 trlgG= -0.289997 logG= -0.055156 TDE= -0.341242 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009576 tlogG= -0.047159 logG= -0.056735 Density= 0.213764 ETOT(band)= -0.233782 trlgG= -0.292816 logG= -0.056735 TDE= -0.341862 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009676 tlogG= -0.045590 logG= -0.055266 Density= 0.214361 ETOT(band)= -0.232696 trlgG= -0.290176 logG= -0.055266 TDE= -0.340987 logGD-logG0= -0.009034 tlogG= -0.047631 logG= -0.056665 Density= 0.212920 ETOT(band)= -0.234083 trlgG= -0.292889 logG= -0.056665 TDE= -0.341587 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.047747 logG= -0.058179 logGD-logG0= -0.009737 tlogG= -0.047154 logG= -0.056891 Density= 0.214756 ETOT(band)= -0.234109 trlgG= -0.294226 logG= -0.058179 TDE= -0.342320 Density= 0.213774 ETOT(band)= -0.233826 trlgG= -0.292608 logG= -0.056891 TDE= -0.341503 logGD-logG0= -0.009856 tlogG= -0.047900 logG= -0.057756 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.047930 logG= -0.057394 Density= 0.213268 ETOT(band)= -0.234292 trlgG= -0.293533 logG= -0.057394 TDE= -0.341675 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213966 ETOT(band)= -0.234226 trlgG= -0.294080 logG= -0.057756 TDE= -0.342205 logGD-logG0= -0.009349 tlogG= -0.047447 logG= -0.056796 Density= 0.214310 ETOT(band)= -0.233611 trlgG= -0.292945 logG= -0.056796 TDE= -0.342201 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047787 logG= -0.058083 Density= 0.214655 ETOT(band)= -0.234103 trlgG= -0.294057 logG= -0.058083 TDE= -0.342196 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010236 tlogG= -0.047979 logG= -0.058215 logGD-logG0= -0.010387 tlogG= -0.048081 logG= -0.058468 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215071 ETOT(band)= -0.234162 trlgG= -0.294737 logG= -0.058468 TDE= -0.342696 Density= 0.215074 ETOT(band)= -0.234017 trlgG= -0.294320 logG= -0.058215 TDE= -0.342534 logGD-logG0= -0.009979 tlogG= -0.048029 logG= -0.058008 Density= 0.214530 ETOT(band)= -0.234133 trlgG= -0.294140 logG= -0.058008 TDE= -0.342292 logGD-logG0= -0.010468 tlogG= -0.048015 logG= -0.058483 logGD-logG0= -0.010097 tlogG= -0.047660 logG= -0.057756 Density= 0.213947 ETOT(band)= -0.234213 trlgG= -0.293833 logG= -0.057756 TDE= -0.341948 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215108 ETOT(band)= -0.234153 trlgG= -0.294764 logG= -0.058483 TDE= -0.342727 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009781 tlogG= -0.045648 logG= -0.055430 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215150 ETOT(band)= -0.232419 trlgG= -0.289988 logG= -0.055430 TDE= -0.341025 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047529 logG= -0.058053 logGD-logG0= -0.010582 tlogG= -0.048145 logG= -0.058727 Density= 0.215702 ETOT(band)= -0.233606 trlgG= -0.294106 logG= -0.058053 TDE= -0.342794 logGD-logG0= -0.010324 tlogG= -0.047308 logG= -0.057632 Density= 0.214260 ETOT(band)= -0.234005 trlgG= -0.293308 logG= -0.057632 TDE= -0.341703 Density= 0.215425 ETOT(band)= -0.234178 trlgG= -0.295200 logG= -0.058727 TDE= -0.343077 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.047942 logG= -0.058391 Density= 0.215899 ETOT(band)= -0.233722 trlgG= -0.294668 logG= -0.058391 TDE= -0.343115 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010534 tlogG= -0.046878 logG= -0.057412 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215431 ETOT(band)= -0.233371 trlgG= -0.293066 logG= -0.057412 TDE= -0.342260 logGD-logG0= -0.010095 tlogG= -0.046411 logG= -0.056506 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215216 ETOT(band)= -0.232981 trlgG= -0.291622 logG= -0.056506 TDE= -0.341616 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.047421 logG= -0.057912 Density= 0.215469 ETOT(band)= -0.233648 trlgG= -0.293867 logG= -0.057912 TDE= -0.342580 logGD-logG0= -0.009704 tlogG= -0.047224 logG= -0.056928 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214476 ETOT(band)= -0.233572 trlgG= -0.292718 logG= -0.056928 TDE= -0.341923 logGD-logG0= -0.010504 tlogG= -0.047890 logG= -0.058394 Density= 0.215770 ETOT(band)= -0.233795 trlgG= -0.294671 logG= -0.058394 TDE= -0.343050 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010841 logG= -0.013284 logGD-logG0= -0.010006 tlogG= -0.047151 logG= -0.057157 Density= 0.054064 ETOT(band)= -0.057598 trlgG= -0.071538 logG= -0.013284 TDE= -0.085007 Density= 0.215151 ETOT(band)= -0.233383 trlgG= -0.292640 logG= -0.057157 TDE= -0.341950 logGD-logG0= -0.005031 tlogG= -0.021817 logG= -0.026848 Density= 0.107789 ETOT(band)= -0.115553 trlgG= -0.143561 logG= -0.026848 TDE= -0.170052 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005250 tlogG= -0.023683 logG= -0.028933 Density= 0.107230 ETOT(band)= -0.117021 trlgG= -0.146842 logG= -0.028933 TDE= -0.170971 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023215 logG= -0.028274 Density= 0.108195 ETOT(band)= -0.116219 trlgG= -0.145860 logG= -0.028274 TDE= -0.171126 logGD-logG0= -0.004703 tlogG= -0.022852 logG= -0.027555 Density= 0.107296 ETOT(band)= -0.116256 trlgG= -0.145048 logG= -0.027555 TDE= -0.170589 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.021873 logG= -0.026825 Density= 0.108325 ETOT(band)= -0.115262 trlgG= -0.143498 logG= -0.026825 TDE= -0.170278 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009937 tlogG= -0.043388 logG= -0.053325 Density= 0.216280 ETOT(band)= -0.230507 trlgG= -0.286477 logG= -0.053325 TDE= -0.340178 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005077 tlogG= -0.022438 logG= -0.027515 Density= 0.216373 ETOT(band)= -0.231323 trlgG= -0.288600 logG= -0.027515 TDE= -0.170587 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023972 logG= -0.028508 Density= 0.212803 ETOT(band)= -0.234319 trlgG= -0.293492 logG= -0.028508 TDE= -0.170852 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023244 logG= -0.027985 Density= 0.213495 ETOT(band)= -0.233660 trlgG= -0.292228 logG= -0.027985 TDE= -0.170766 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023194 logG= -0.028322 Density= 0.214867 ETOT(band)= -0.232996 trlgG= -0.291221 logG= -0.028322 TDE= -0.170640 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023370 logG= -0.027980 Density= 0.214182 ETOT(band)= -0.233417 trlgG= -0.292339 logG= -0.027980 TDE= -0.170930 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023354 logG= -0.028747 Density= 0.215107 ETOT(band)= -0.233395 trlgG= -0.292716 logG= -0.028747 TDE= -0.170984 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087413 trlgG= -0.109611 logG= -0.006995 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004446 tlogG= -0.023586 logG= -0.028033 Density= 0.212614 ETOT(band)= -0.234041 trlgG= -0.292745 logG= -0.028033 TDE= -0.170716 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023740 logG= -0.028131 Density= 0.213082 ETOT(band)= -0.233633 trlgG= -0.291769 logG= -0.028131 TDE= -0.170801 logGD-logG0= -0.001568 tlogG= -0.006873 logG= -0.008441 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040849 ETOT(band)= -0.042679 trlgG= -0.052796 logG= -0.008441 TDE= -0.056469 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004925 tlogG= -0.022905 logG= -0.027830 Density= 0.214796 ETOT(band)= -0.232443 trlgG= -0.289690 logG= -0.027830 TDE= -0.170453 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023415 logG= -0.028580 Density= 0.216201 ETOT(band)= -0.232695 trlgG= -0.292202 logG= -0.028580 TDE= -0.171209 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007116 logG= -0.008796 Density= 0.072231 ETOT(band)= -0.076492 trlgG= -0.094840 logG= -0.008796 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001419 tlogG= -0.007966 logG= -0.009384 Density= 0.070865 ETOT(band)= -0.077966 trlgG= -0.097455 logG= -0.009384 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004258 tlogG= -0.024131 logG= -0.028389 Density= 0.212166 ETOT(band)= -0.234424 trlgG= -0.293694 logG= -0.028389 TDE= -0.170999 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005855 logG= -0.007118 Density= 0.080648 ETOT(band)= -0.087628 trlgG= -0.110166 logG= -0.007118 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007206 Density= 0.080832 ETOT(band)= -0.087662 trlgG= -0.110364 logG= -0.007206 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021878 logG= -0.026917 Density= 0.216631 ETOT(band)= -0.230324 trlgG= -0.286480 logG= -0.026917 TDE= -0.170247 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001265 tlogG= -0.005984 logG= -0.007249 Density= 0.081062 ETOT(band)= -0.087564 trlgG= -0.110416 logG= -0.007249 TDE= -0.042901 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005619 logG= -0.006846 Density= 0.080838 ETOT(band)= -0.086983 trlgG= -0.108608 logG= -0.006846 TDE= -0.042675 logGD-logG0= -0.004949 tlogG= -0.021349 logG= -0.026298 Density= 0.217026 ETOT(band)= -0.229215 trlgG= -0.284274 logG= -0.026298 TDE= -0.169915 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071497 ETOT(band)= -0.077362 trlgG= -0.096156 logG= -0.009146 TDE= -0.056745 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023481 logG= -0.028692 Density= 0.215215 ETOT(band)= -0.233368 trlgG= -0.292907 logG= -0.028692 TDE= -0.171189 logGD-logG0= -0.005182 tlogG= -0.024001 logG= -0.029183 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215688 ETOT(band)= -0.233896 trlgG= -0.294825 logG= -0.029183 TDE= -0.171599 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023799 logG= -0.029015 Density= 0.215335 ETOT(band)= -0.233803 trlgG= -0.294170 logG= -0.029015 TDE= -0.171447 logGD-logG0= -0.005145 tlogG= -0.023999 logG= -0.029145 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216359 ETOT(band)= -0.233375 trlgG= -0.294346 logG= -0.029145 TDE= -0.171616 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.021204 logG= -0.026112 Density= 0.216349 ETOT(band)= -0.230077 trlgG= -0.285533 logG= -0.026112 TDE= -0.169821 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004730 tlogG= -0.024006 logG= -0.028735 Density= 0.321564 ETOT(band)= -0.351173 trlgG= -0.441343 logG= -0.028735 TDE= -0.171247 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023844 logG= -0.028877 logGD-logG0= -0.005275 tlogG= -0.024122 logG= -0.029397 Density= 0.215497 ETOT(band)= -0.233798 trlgG= -0.294275 logG= -0.028877 TDE= -0.171135 Density= 0.215721 ETOT(band)= -0.234052 trlgG= -0.295241 logG= -0.029397 TDE= -0.171632 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001176 tlogG= -0.005171 logG= -0.006347 Density= 0.062540 ETOT(band)= -0.067557 trlgG= -0.084208 logG= -0.006347 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004641 tlogG= -0.023367 logG= -0.028008 Density= 0.321634 ETOT(band)= -0.350125 trlgG= -0.438765 logG= -0.028008 TDE= -0.170921 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023956 logG= -0.029095 Density= 0.216393 ETOT(band)= -0.233271 trlgG= -0.294114 logG= -0.029095 TDE= -0.171590 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024162 logG= -0.029163 Density= 0.322440 ETOT(band)= -0.351283 trlgG= -0.442021 logG= -0.029163 TDE= -0.171252 logGD-logG0= -0.005207 tlogG= -0.024083 logG= -0.029290 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006501 Density= 0.081561 ETOT(band)= -0.085700 trlgG= -0.106207 logG= -0.006501 TDE= -0.042466 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.323063 ETOT(band)= -0.351254 trlgG= -0.442671 logG= -0.029290 TDE= -0.171445 logGD-logG0= -0.010320 tlogG= -0.047786 logG= -0.058106 logGD-logG0= -0.005158 tlogG= -0.023762 logG= -0.028920 logGD-logG0= -0.004875 tlogG= -0.023882 logG= -0.028757 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216282 ETOT(band)= -0.233074 trlgG= -0.293409 logG= -0.028920 TDE= -0.171448 Density= 0.213784 ETOT(band)= -0.234054 trlgG= -0.293009 logG= -0.028757 TDE= -0.170814 logGD-logG0= -0.009598 tlogG= -0.046604 logG= -0.056202 Density= 0.324356 ETOT(band)= -0.349969 trlgG= -0.441018 logG= -0.058106 TDE= -0.343073 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322706 ETOT(band)= -0.349076 trlgG= -0.436403 logG= -0.056202 TDE= -0.341652 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.022967 logG= -0.028105 Density= 0.216228 ETOT(band)= -0.232121 trlgG= -0.290586 logG= -0.028105 TDE= -0.170922 logGD-logG0= -0.010367 tlogG= -0.047235 logG= -0.057601 Density= 0.324137 ETOT(band)= -0.349603 trlgG= -0.439671 logG= -0.057601 TDE= -0.342681 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010606 tlogG= -0.048040 logG= -0.058645 Density= 0.323249 ETOT(band)= -0.351045 trlgG= -0.442367 logG= -0.058645 TDE= -0.343067 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010365 tlogG= -0.046414 logG= -0.056778 Density= 0.324000 ETOT(band)= -0.348947 trlgG= -0.437585 logG= -0.056778 TDE= -0.342123 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045628 logG= -0.055720 Density= 0.324048 ETOT(band)= -0.348004 trlgG= -0.434965 logG= -0.055720 TDE= -0.341498 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023898 logG= -0.029221 logGD-logG0= -0.004697 tlogG= -0.024007 logG= -0.028704 Density= 0.214119 ETOT(band)= -0.234130 trlgG= -0.294133 logG= -0.028704 TDE= -0.171252 Density= 0.215648 ETOT(band)= -0.233798 trlgG= -0.294553 logG= -0.029221 TDE= -0.171455 logGD-logG0= -0.004792 tlogG= -0.023836 logG= -0.028628 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213570 ETOT(band)= -0.234193 trlgG= -0.293746 logG= -0.028628 TDE= -0.171070 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023244 logG= -0.028231 Density= 0.321700 ETOT(band)= -0.350631 trlgG= -0.439617 logG= -0.028231 TDE= -0.170876 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.022292 logG= -0.027197 Density= 0.214259 ETOT(band)= -0.232485 trlgG= -0.289445 logG= -0.027197 TDE= -0.170188 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005371 tlogG= -0.023684 logG= -0.029055 Density= 0.215409 ETOT(band)= -0.233651 trlgG= -0.293855 logG= -0.029055 TDE= -0.171278 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008873 tlogG= -0.048096 logG= -0.056969 Density= 0.425524 ETOT(band)= -0.468437 trlgG= -0.586472 logG= -0.056969 TDE= -0.341821 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023957 logG= -0.029265 Density= 0.323664 ETOT(band)= -0.350716 trlgG= -0.442109 logG= -0.029265 TDE= -0.171504 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009364 tlogG= -0.046713 logG= -0.056076 logGD-logG0= -0.010059 tlogG= -0.048148 logG= -0.058207 Density= 0.427887 ETOT(band)= -0.466219 trlgG= -0.581851 logG= -0.056076 TDE= -0.341262 Density= 0.429298 ETOT(band)= -0.468352 trlgG= -0.588622 logG= -0.058207 TDE= -0.342355 logGD-logG0= -0.010228 tlogG= -0.047956 logG= -0.058184 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429201 ETOT(band)= -0.468314 trlgG= -0.588268 logG= -0.058184 TDE= -0.342195 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.021299 logG= -0.026166 Density= 0.162652 ETOT(band)= -0.173013 trlgG= -0.215913 logG= -0.026166 TDE= -0.169901 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009418 tlogG= -0.046607 logG= -0.056025 Density= 0.428092 ETOT(band)= -0.466940 trlgG= -0.584458 logG= -0.056025 TDE= -0.341677 logGD-logG0= -0.009555 tlogG= -0.047839 logG= -0.057395 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428032 ETOT(band)= -0.468244 trlgG= -0.587853 logG= -0.057395 TDE= -0.342309 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.024157 logG= -0.029132 Density= 0.214741 ETOT(band)= -0.234209 trlgG= -0.294530 logG= -0.029132 TDE= -0.171257 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023890 logG= -0.028451 Density= 0.213277 ETOT(band)= -0.233908 trlgG= -0.292498 logG= -0.028451 TDE= -0.170804 logGD-logG0= -0.004874 tlogG= -0.022473 logG= -0.027347 Density= 0.215023 ETOT(band)= -0.231706 trlgG= -0.288045 logG= -0.027347 TDE= -0.170201 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.047668 logG= -0.057837 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428286 ETOT(band)= -0.468227 trlgG= -0.587184 logG= -0.057837 TDE= -0.341949 logGD-logG0= -0.010192 tlogG= -0.048221 logG= -0.058413 Density= 0.430037 ETOT(band)= -0.468354 trlgG= -0.589390 logG= -0.058413 TDE= -0.342571 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009731 tlogG= -0.047853 logG= -0.057584 Density= 0.429133 ETOT(band)= -0.468017 trlgG= -0.587822 logG= -0.057584 TDE= -0.342295 logGD-logG0= -0.010403 tlogG= -0.048070 logG= -0.058473 Density= 0.430143 ETOT(band)= -0.468184 trlgG= -0.589062 logG= -0.058473 TDE= -0.342696 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.047693 logG= -0.058365 Density= 0.431095 ETOT(band)= -0.467547 trlgG= -0.588704 logG= -0.058365 TDE= -0.342819 logGD-logG0= -0.009519 tlogG= -0.047769 logG= -0.057287 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427168 ETOT(band)= -0.468009 trlgG= -0.585840 logG= -0.057287 TDE= -0.341542 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047649 logG= -0.057215 Density= 0.426663 ETOT(band)= -0.468461 trlgG= -0.586989 logG= -0.057215 TDE= -0.341840 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.047728 logG= -0.058299 Density= 0.430752 ETOT(band)= -0.467605 trlgG= -0.588346 logG= -0.058299 TDE= -0.342713 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023957 logG= -0.028992 logGD-logG0= -0.009847 tlogG= -0.046399 logG= -0.056247 Density= 0.214338 ETOT(band)= -0.234138 trlgG= -0.293916 logG= -0.028992 TDE= -0.171085 Density= 0.429529 ETOT(band)= -0.465644 trlgG= -0.581522 logG= -0.056247 TDE= -0.341373 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010232 tlogG= -0.046929 logG= -0.057161 logGD-logG0= -0.004793 tlogG= -0.022327 logG= -0.027119 Density= 0.322874 ETOT(band)= -0.348044 trlgG= -0.434013 logG= -0.027119 TDE= -0.170269 Density= 0.429878 ETOT(band)= -0.466558 trlgG= -0.584221 logG= -0.057161 TDE= -0.341663 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009912 tlogG= -0.047559 logG= -0.057471 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428603 ETOT(band)= -0.467570 trlgG= -0.586222 logG= -0.057471 TDE= -0.341994 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.047267 logG= -0.057897 Density= 0.430481 ETOT(band)= -0.467182 trlgG= -0.586874 logG= -0.057897 TDE= -0.342328 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010596 tlogG= -0.048019 logG= -0.058615 Density= 0.431336 ETOT(band)= -0.467829 trlgG= -0.589697 logG= -0.058615 TDE= -0.343084 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010156 tlogG= -0.047569 logG= -0.057725 Density= 0.430009 ETOT(band)= -0.467205 trlgG= -0.586152 logG= -0.057725 TDE= -0.342109 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009884 tlogG= -0.044620 logG= -0.054504 Density= 0.324291 ETOT(band)= -0.346733 trlgG= -0.431951 logG= -0.054504 TDE= -0.340820 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001214 tlogG= -0.005468 logG= -0.006682 Density= 0.081202 ETOT(band)= -0.086369 trlgG= -0.107368 logG= -0.006682 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004752 tlogG= -0.022326 logG= -0.027079 Density= 0.215029 ETOT(band)= -0.231995 trlgG= -0.289090 logG= -0.027079 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009732 tlogG= -0.044624 logG= -0.054356 Density= 0.431612 ETOT(band)= -0.462163 trlgG= -0.574733 logG= -0.054356 TDE= -0.340458 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.878351601746 eV TrLogG= -407.271792407940 eV Ratio to renormalize= 1.000031044436 rho-rho_expected=-0.000682956389 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964698610507170 0.940487358693474 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001392 tlogG= -0.008044 logG= -0.009437 Density= 0.035312 ETOT(band)= -0.039084 trlgG= -0.048971 logG= -0.009437 TDE= -0.057008 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009284 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048606 logG= -0.009284 TDE= -0.056884 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.023974 logG= -0.028285 Density= 0.106166 ETOT(band)= -0.117143 trlgG= -0.146671 logG= -0.028285 TDE= -0.170923 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.022989 logG= -0.027660 Density= 0.106870 ETOT(band)= -0.116510 trlgG= -0.145201 logG= -0.027660 TDE= -0.170425 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023500 logG= -0.028197 Density= 0.106771 ETOT(band)= -0.116832 trlgG= -0.145948 logG= -0.028197 TDE= -0.170586 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001677 tlogG= -0.007304 logG= -0.008982 Density= 0.035844 ETOT(band)= -0.038582 trlgG= -0.047908 logG= -0.008982 TDE= -0.056663 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002383 tlogG= -0.010425 logG= -0.012808 Density= 0.054379 ETOT(band)= -0.057080 trlgG= -0.070690 logG= -0.012808 TDE= -0.084791 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021817 logG= -0.026848 Density= 0.107789 ETOT(band)= -0.115552 trlgG= -0.143561 logG= -0.026848 TDE= -0.170052 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004508 tlogG= -0.024045 logG= -0.028553 Density= 0.106385 ETOT(band)= -0.117174 trlgG= -0.146793 logG= -0.028553 TDE= -0.170885 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.023642 logG= -0.028604 Density= 0.106976 ETOT(band)= -0.116950 trlgG= -0.146291 logG= -0.028604 TDE= -0.170625 logGD-logG0= -0.004994 tlogG= -0.022733 logG= -0.027727 Density= 0.108249 ETOT(band)= -0.115889 trlgG= -0.144992 logG= -0.027727 TDE= -0.170832 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.024069 logG= -0.028913 Density= 0.107055 ETOT(band)= -0.117114 trlgG= -0.147158 logG= -0.028913 TDE= -0.171222 logGD-logG0= -0.004671 tlogG= -0.023686 logG= -0.028357 Density= 0.106974 ETOT(band)= -0.116861 trlgG= -0.146482 logG= -0.028357 TDE= -0.171060 logGD-logG0= -0.004867 tlogG= -0.023892 logG= -0.028759 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106754 ETOT(band)= -0.117134 trlgG= -0.146905 logG= -0.028759 TDE= -0.170973 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.022851 logG= -0.027555 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107296 ETOT(band)= -0.116256 trlgG= -0.145048 logG= -0.027555 TDE= -0.170589 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002307 tlogG= -0.011883 logG= -0.014190 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.053561 ETOT(band)= -0.058411 trlgG= -0.073263 logG= -0.014190 TDE= -0.085577 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012032 logG= -0.014616 Density= 0.053762 ETOT(band)= -0.058543 trlgG= -0.073682 logG= -0.014616 TDE= -0.085670 logGD-logG0= -0.002402 tlogG= -0.012082 logG= -0.014484 Density= 0.053584 ETOT(band)= -0.058555 trlgG= -0.073625 logG= -0.014484 TDE= -0.085657 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002314 tlogG= -0.011448 logG= -0.013761 Density= 0.053736 ETOT(band)= -0.058079 trlgG= -0.072498 logG= -0.013761 TDE= -0.085328 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002540 tlogG= -0.011984 logG= -0.014524 Density= 0.054138 ETOT(band)= -0.058304 trlgG= -0.073544 logG= -0.014524 TDE= -0.085811 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010840 logG= -0.013284 Density= 0.054064 ETOT(band)= -0.057598 trlgG= -0.071538 logG= -0.013284 TDE= -0.085007 logGD-logG0= -0.005113 tlogG= -0.023763 logG= -0.028876 logGD-logG0= -0.004284 tlogG= -0.024051 logG= -0.028335 logGD-logG0= -0.002609 tlogG= -0.011988 logG= -0.014597 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108179 ETOT(band)= -0.116557 trlgG= -0.146814 logG= -0.028876 TDE= -0.171471 Density= 0.053983 ETOT(band)= -0.058425 trlgG= -0.073665 logG= -0.014597 TDE= -0.085782 Density= 0.106114 ETOT(band)= -0.117186 trlgG= -0.146785 logG= -0.028335 TDE= -0.170960 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024070 logG= -0.029313 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107642 ETOT(band)= -0.117086 trlgG= -0.147510 logG= -0.029313 TDE= -0.171464 logGD-logG0= -0.005100 tlogG= -0.023950 logG= -0.029049 logGD-logG0= -0.005067 tlogG= -0.022982 logG= -0.028048 Density= 0.108230 ETOT(band)= -0.116632 trlgG= -0.147092 logG= -0.029049 TDE= -0.171601 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108136 ETOT(band)= -0.116125 trlgG= -0.145504 logG= -0.028048 TDE= -0.170966 logGD-logG0= -0.004999 tlogG= -0.022456 logG= -0.027455 Density= 0.108204 ETOT(band)= -0.115753 trlgG= -0.144556 logG= -0.027455 TDE= -0.170646 logGD-logG0= -0.005251 tlogG= -0.024087 logG= -0.029338 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107888 ETOT(band)= -0.116993 trlgG= -0.147573 logG= -0.029338 TDE= -0.171623 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.022168 logG= -0.027084 logGD-logG0= -0.005108 tlogG= -0.023430 logG= -0.028538 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108132 ETOT(band)= -0.116395 trlgG= -0.146278 logG= -0.028538 TDE= -0.171249 Density= 0.108360 ETOT(band)= -0.115446 trlgG= -0.143947 logG= -0.027084 TDE= -0.170485 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005284 tlogG= -0.024133 logG= -0.029417 logGD-logG0= -0.005193 tlogG= -0.023966 logG= -0.029159 Density= 0.107811 ETOT(band)= -0.117081 trlgG= -0.147698 logG= -0.029417 TDE= -0.171632 Density= 0.107443 ETOT(band)= -0.117073 trlgG= -0.147236 logG= -0.029159 TDE= -0.171246 logGD-logG0= -0.005275 tlogG= -0.023901 logG= -0.029176 Density= 0.107752 ETOT(band)= -0.116952 trlgG= -0.147294 logG= -0.029176 TDE= -0.171439 logGD-logG0= -0.004585 tlogG= -0.023205 logG= -0.027790 Density= 0.106734 ETOT(band)= -0.116641 trlgG= -0.145464 logG= -0.027790 TDE= -0.170491 logGD-logG0= -0.004975 tlogG= -0.022407 logG= -0.027382 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.023871 logG= -0.028958 Density= 0.108251 ETOT(band)= -0.116567 trlgG= -0.146943 logG= -0.028958 TDE= -0.171553 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023683 logG= -0.028933 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023215 logG= -0.028274 logGD-logG0= -0.004793 tlogG= -0.023688 logG= -0.028481 Density= 0.107230 ETOT(band)= -0.117021 trlgG= -0.146841 logG= -0.028933 TDE= -0.170971 Density= 0.108195 ETOT(band)= -0.116219 trlgG= -0.145859 logG= -0.028274 TDE= -0.171125 Density= 0.107378 ETOT(band)= -0.116741 trlgG= -0.146390 logG= -0.028481 TDE= -0.171045 logGD-logG0= -0.004957 tlogG= -0.024092 logG= -0.029049 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107378 ETOT(band)= -0.117052 trlgG= -0.147131 logG= -0.029049 TDE= -0.171219 Density= 0.107634 ETOT(band)= -0.115981 trlgG= -0.144436 logG= -0.027382 TDE= -0.170317 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004827 tlogG= -0.022849 logG= -0.027675 Density= 0.107747 ETOT(band)= -0.116110 trlgG= -0.144921 logG= -0.027675 TDE= -0.170564 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005074 tlogG= -0.022874 logG= -0.027948 Density= 0.107615 ETOT(band)= -0.116315 trlgG= -0.145333 logG= -0.027948 TDE= -0.170638 logGD-logG0= -0.004642 tlogG= -0.023668 logG= -0.028311 Density= 0.106595 ETOT(band)= -0.116979 trlgG= -0.146377 logG= -0.028311 TDE= -0.170815 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023605 logG= -0.028694 Density= 0.108205 ETOT(band)= -0.116442 trlgG= -0.146523 logG= -0.028694 TDE= -0.171374 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023195 logG= -0.028460 Density= 0.107683 ETOT(band)= -0.116563 trlgG= -0.146143 logG= -0.028460 TDE= -0.170969 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.023870 logG= -0.029107 Density= 0.107916 ETOT(band)= -0.116819 trlgG= -0.147187 logG= -0.029107 TDE= -0.171483 logGD-logG0= -0.009396 tlogG= -0.045759 logG= -0.055156 Density= 0.215018 ETOT(band)= -0.232344 trlgG= -0.289996 logG= -0.055156 TDE= -0.341242 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.048244 logG= -0.057953 logGD-logG0= -0.005226 tlogG= -0.024058 logG= -0.029284 Density= 0.214400 ETOT(band)= -0.234186 trlgG= -0.294391 logG= -0.057953 TDE= -0.342533 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107947 ETOT(band)= -0.116926 trlgG= -0.147484 logG= -0.029284 TDE= -0.171618 logGD-logG0= -0.005275 tlogG= -0.023579 logG= -0.028854 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107800 ETOT(band)= -0.116724 trlgG= -0.146772 logG= -0.028854 TDE= -0.171263 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009676 tlogG= -0.045590 logG= -0.055266 Density= 0.214361 ETOT(band)= -0.232696 trlgG= -0.290176 logG= -0.055266 TDE= -0.340987 logGD-logG0= -0.009576 tlogG= -0.047159 logG= -0.056735 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213763 ETOT(band)= -0.233781 trlgG= -0.292816 logG= -0.056735 TDE= -0.341862 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009034 tlogG= -0.047631 logG= -0.056665 logGD-logG0= -0.001419 tlogG= -0.007965 logG= -0.009384 Density= 0.212920 ETOT(band)= -0.234083 trlgG= -0.292888 logG= -0.056665 TDE= -0.341587 Density= 0.070865 ETOT(band)= -0.077966 trlgG= -0.097455 logG= -0.009384 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009856 tlogG= -0.047900 logG= -0.057756 Density= 0.213966 ETOT(band)= -0.234226 trlgG= -0.294080 logG= -0.057756 TDE= -0.342205 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.047747 logG= -0.058178 logGD-logG0= -0.010387 tlogG= -0.048081 logG= -0.058468 Density= 0.215071 ETOT(band)= -0.234162 trlgG= -0.294736 logG= -0.058468 TDE= -0.342696 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.047930 logG= -0.057394 Density= 0.214756 ETOT(band)= -0.234109 trlgG= -0.294226 logG= -0.058178 TDE= -0.342320 logGD-logG0= -0.009737 tlogG= -0.047154 logG= -0.056891 Density= 0.213268 ETOT(band)= -0.234291 trlgG= -0.293533 logG= -0.057394 TDE= -0.341675 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213774 ETOT(band)= -0.233826 trlgG= -0.292608 logG= -0.056891 TDE= -0.341503 logGD-logG0= -0.009349 tlogG= -0.047447 logG= -0.056796 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214310 ETOT(band)= -0.233611 trlgG= -0.292945 logG= -0.056796 TDE= -0.342200 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010236 tlogG= -0.047979 logG= -0.058215 Density= 0.215074 ETOT(band)= -0.234017 trlgG= -0.294320 logG= -0.058215 TDE= -0.342534 logGD-logG0= -0.009781 tlogG= -0.045648 logG= -0.055429 Density= 0.215149 ETOT(band)= -0.232419 trlgG= -0.289988 logG= -0.055429 TDE= -0.341025 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004446 tlogG= -0.023586 logG= -0.028033 Density= 0.212614 ETOT(band)= -0.234041 trlgG= -0.292744 logG= -0.028033 TDE= -0.170716 logGD-logG0= -0.001611 tlogG= -0.006991 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047246 logG= -0.008602 TDE= -0.056555 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047308 logG= -0.057632 logGD-logG0= -0.009979 tlogG= -0.048029 logG= -0.058008 logGD-logG0= -0.010449 tlogG= -0.047942 logG= -0.058391 Density= 0.215899 ETOT(band)= -0.233722 trlgG= -0.294668 logG= -0.058391 TDE= -0.343115 Density= 0.214530 ETOT(band)= -0.234133 trlgG= -0.294139 logG= -0.058008 TDE= -0.342291 Density= 0.214260 ETOT(band)= -0.234005 trlgG= -0.293308 logG= -0.057632 TDE= -0.341702 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010097 tlogG= -0.047660 logG= -0.057756 logGD-logG0= -0.010095 tlogG= -0.046411 logG= -0.056506 logGD-logG0= -0.010468 tlogG= -0.048015 logG= -0.058483 Density= 0.215108 ETOT(band)= -0.234153 trlgG= -0.294763 logG= -0.058483 TDE= -0.342726 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213946 ETOT(band)= -0.234213 trlgG= -0.293832 logG= -0.057756 TDE= -0.341947 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047529 logG= -0.058052 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215216 ETOT(band)= -0.232981 trlgG= -0.291622 logG= -0.056506 TDE= -0.341616 Density= 0.215702 ETOT(band)= -0.233606 trlgG= -0.294106 logG= -0.058052 TDE= -0.342794 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001176 tlogG= -0.005171 logG= -0.006347 logGD-logG0= -0.010534 tlogG= -0.046878 logG= -0.057411 Density= 0.215431 ETOT(band)= -0.233371 trlgG= -0.293065 logG= -0.057411 TDE= -0.342260 Density= 0.062540 ETOT(band)= -0.067557 trlgG= -0.084208 logG= -0.006347 TDE= -0.042364 logGD-logG0= -0.010491 tlogG= -0.047420 logG= -0.057912 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047786 logG= -0.058083 Density= 0.214655 ETOT(band)= -0.234103 trlgG= -0.294057 logG= -0.058083 TDE= -0.342196 logGD-logG0= -0.004561 tlogG= -0.023890 logG= -0.028451 Density= 0.215469 ETOT(band)= -0.233648 trlgG= -0.293866 logG= -0.057912 TDE= -0.342579 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.048145 logG= -0.058726 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213277 ETOT(band)= -0.233908 trlgG= -0.292498 logG= -0.028451 TDE= -0.170804 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215425 ETOT(band)= -0.234178 trlgG= -0.295200 logG= -0.058726 TDE= -0.343076 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.047224 logG= -0.056928 Density= 0.214475 ETOT(band)= -0.233571 trlgG= -0.292718 logG= -0.056928 TDE= -0.341923 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010504 tlogG= -0.047890 logG= -0.058394 Density= 0.215770 ETOT(band)= -0.233795 trlgG= -0.294670 logG= -0.058394 TDE= -0.343050 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.047151 logG= -0.057157 Density= 0.215151 ETOT(band)= -0.233383 trlgG= -0.292640 logG= -0.057157 TDE= -0.341950 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004952 tlogG= -0.021873 logG= -0.026825 logGD-logG0= -0.004865 tlogG= -0.021562 logG= -0.026428 Density= 0.108325 ETOT(band)= -0.115262 trlgG= -0.143498 logG= -0.026825 TDE= -0.170278 Density= 0.108516 ETOT(band)= -0.114895 trlgG= -0.142817 logG= -0.026428 TDE= -0.170089 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004784 tlogG= -0.020987 logG= -0.025771 Density= 0.108713 ETOT(band)= -0.114306 trlgG= -0.141660 logG= -0.025771 TDE= -0.169685 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071497 ETOT(band)= -0.077362 trlgG= -0.096155 logG= -0.009146 TDE= -0.056745 logGD-logG0= -0.004906 tlogG= -0.022292 logG= -0.027197 Density= 0.214259 ETOT(band)= -0.232485 trlgG= -0.289445 logG= -0.027197 TDE= -0.170188 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.022473 logG= -0.027347 Density= 0.215023 ETOT(band)= -0.231705 trlgG= -0.288045 logG= -0.027347 TDE= -0.170201 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.021694 logG= -0.026665 Density= 0.107932 ETOT(band)= -0.115359 trlgG= -0.143251 logG= -0.026665 TDE= -0.169996 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009937 tlogG= -0.043388 logG= -0.053325 Density= 0.216280 ETOT(band)= -0.230507 trlgG= -0.286476 logG= -0.053325 TDE= -0.340177 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006501 Density= 0.081561 ETOT(band)= -0.085700 trlgG= -0.106207 logG= -0.006501 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004535 tlogG= -0.023972 logG= -0.028508 Density= 0.212803 ETOT(band)= -0.234319 trlgG= -0.293492 logG= -0.028508 TDE= -0.170852 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.022967 logG= -0.028105 Density= 0.216228 ETOT(band)= -0.232121 trlgG= -0.290586 logG= -0.028105 TDE= -0.170922 logGD-logG0= -0.004875 tlogG= -0.023882 logG= -0.028757 Density= 0.213784 ETOT(band)= -0.234054 trlgG= -0.293008 logG= -0.028757 TDE= -0.170814 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.024007 logG= -0.028704 Density= 0.214119 ETOT(band)= -0.234129 trlgG= -0.294133 logG= -0.028704 TDE= -0.171252 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023370 logG= -0.027980 Density= 0.214182 ETOT(band)= -0.233416 trlgG= -0.292339 logG= -0.027980 TDE= -0.170929 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023836 logG= -0.028628 Density= 0.213570 ETOT(band)= -0.234193 trlgG= -0.293745 logG= -0.028628 TDE= -0.171070 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087412 trlgG= -0.109611 logG= -0.006995 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005619 logG= -0.006846 Density= 0.080838 ETOT(band)= -0.086983 trlgG= -0.108608 logG= -0.006846 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007206 logGD-logG0= -0.001262 tlogG= -0.005855 logG= -0.007118 Density= 0.080648 ETOT(band)= -0.087628 trlgG= -0.110166 logG= -0.007118 TDE= -0.042817 Density= 0.080832 ETOT(band)= -0.087662 trlgG= -0.110363 logG= -0.007206 TDE= -0.042871 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001214 tlogG= -0.005468 logG= -0.006682 Density= 0.081202 ETOT(band)= -0.086369 trlgG= -0.107368 logG= -0.006682 TDE= -0.042577 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001265 tlogG= -0.005984 logG= -0.007249 Density= 0.081062 ETOT(band)= -0.087564 trlgG= -0.110416 logG= -0.007249 TDE= -0.042901 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022326 logG= -0.027078 Density= 0.215029 ETOT(band)= -0.231995 trlgG= -0.289090 logG= -0.027078 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005182 tlogG= -0.024001 logG= -0.029183 Density= 0.215688 ETOT(band)= -0.233896 trlgG= -0.294825 logG= -0.029183 TDE= -0.171599 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023799 logG= -0.029015 Density= 0.215335 ETOT(band)= -0.233803 trlgG= -0.294170 logG= -0.029015 TDE= -0.171446 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023999 logG= -0.029145 Density= 0.216359 ETOT(band)= -0.233375 trlgG= -0.294346 logG= -0.029145 TDE= -0.171616 logGD-logG0= -0.005210 tlogG= -0.023481 logG= -0.028692 Density= 0.215215 ETOT(band)= -0.233368 trlgG= -0.292907 logG= -0.028692 TDE= -0.171189 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.022438 logG= -0.027515 Density= 0.216373 ETOT(band)= -0.231323 trlgG= -0.288599 logG= -0.027515 TDE= -0.170587 logGD-logG0= -0.005275 tlogG= -0.024122 logG= -0.029397 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215721 ETOT(band)= -0.234052 trlgG= -0.295240 logG= -0.029397 TDE= -0.171632 logGD-logG0= -0.005035 tlogG= -0.023957 logG= -0.028992 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214338 ETOT(band)= -0.234138 trlgG= -0.293915 logG= -0.028992 TDE= -0.171084 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004258 tlogG= -0.024131 logG= -0.028389 logGD-logG0= -0.005165 tlogG= -0.023414 logG= -0.028580 Density= 0.216201 ETOT(band)= -0.232695 trlgG= -0.292202 logG= -0.028580 TDE= -0.171209 logGD-logG0= -0.004730 tlogG= -0.024006 logG= -0.028735 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321564 ETOT(band)= -0.351173 trlgG= -0.441342 logG= -0.028735 TDE= -0.171247 Density= 0.212166 ETOT(band)= -0.234423 trlgG= -0.293694 logG= -0.028389 TDE= -0.170999 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023844 logG= -0.028877 Density= 0.215497 ETOT(band)= -0.233798 trlgG= -0.294275 logG= -0.028877 TDE= -0.171135 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024162 logG= -0.029163 Density= 0.322440 ETOT(band)= -0.351283 trlgG= -0.442020 logG= -0.029163 TDE= -0.171252 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023244 logG= -0.027984 Density= 0.213495 ETOT(band)= -0.233660 trlgG= -0.292228 logG= -0.027984 TDE= -0.170766 logGD-logG0= -0.004641 tlogG= -0.023367 logG= -0.028008 Density= 0.321634 ETOT(band)= -0.350124 trlgG= -0.438765 logG= -0.028008 TDE= -0.170921 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023354 logG= -0.028747 Density= 0.215107 ETOT(band)= -0.233394 trlgG= -0.292715 logG= -0.028747 TDE= -0.170984 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010320 tlogG= -0.047786 logG= -0.058106 Density= 0.324356 ETOT(band)= -0.349968 trlgG= -0.441017 logG= -0.058106 TDE= -0.343072 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.024157 logG= -0.029132 Density= 0.214740 ETOT(band)= -0.234209 trlgG= -0.294530 logG= -0.029132 TDE= -0.171257 logGD-logG0= -0.005128 tlogG= -0.023194 logG= -0.028321 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214867 ETOT(band)= -0.232996 trlgG= -0.291221 logG= -0.028321 TDE= -0.170640 logGD-logG0= -0.005138 tlogG= -0.023956 logG= -0.029095 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216393 ETOT(band)= -0.233271 trlgG= -0.294113 logG= -0.029095 TDE= -0.171589 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045627 logG= -0.055720 logGD-logG0= -0.010606 tlogG= -0.048040 logG= -0.058645 Density= 0.324047 ETOT(band)= -0.348004 trlgG= -0.434964 logG= -0.055720 TDE= -0.341498 logGD-logG0= -0.005207 tlogG= -0.024083 logG= -0.029290 Density= 0.323249 ETOT(band)= -0.351045 trlgG= -0.442366 logG= -0.058645 TDE= -0.343066 Density= 0.323063 ETOT(band)= -0.351253 trlgG= -0.442670 logG= -0.029290 TDE= -0.171445 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023740 logG= -0.028131 Density= 0.213082 ETOT(band)= -0.233632 trlgG= -0.291769 logG= -0.028131 TDE= -0.170801 logGD-logG0= -0.001568 tlogG= -0.006873 logG= -0.008441 Density= 0.040849 ETOT(band)= -0.042679 trlgG= -0.052796 logG= -0.008441 TDE= -0.056469 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010365 tlogG= -0.046413 logG= -0.056778 Density= 0.324000 ETOT(band)= -0.348947 trlgG= -0.437584 logG= -0.056778 TDE= -0.342123 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023898 logG= -0.029221 Density= 0.215648 ETOT(band)= -0.233798 trlgG= -0.294552 logG= -0.029221 TDE= -0.171455 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023957 logG= -0.029265 Density= 0.323664 ETOT(band)= -0.350715 trlgG= -0.442109 logG= -0.029265 TDE= -0.171504 logGD-logG0= -0.010367 tlogG= -0.047235 logG= -0.057601 logGD-logG0= -0.004925 tlogG= -0.022905 logG= -0.027830 Density= 0.324137 ETOT(band)= -0.349602 trlgG= -0.439670 logG= -0.057601 TDE= -0.342680 Density= 0.214796 ETOT(band)= -0.232442 trlgG= -0.289690 logG= -0.027830 TDE= -0.170452 logGD-logG0= -0.004988 tlogG= -0.023244 logG= -0.028231 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321700 ETOT(band)= -0.350630 trlgG= -0.439617 logG= -0.028231 TDE= -0.170876 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009364 tlogG= -0.046712 logG= -0.056076 logGD-logG0= -0.005371 tlogG= -0.023684 logG= -0.029055 Density= 0.215409 ETOT(band)= -0.233651 trlgG= -0.293855 logG= -0.029055 TDE= -0.171278 Density= 0.427887 ETOT(band)= -0.466218 trlgG= -0.581850 logG= -0.056076 TDE= -0.341262 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009555 tlogG= -0.047839 logG= -0.057394 Density= 0.428032 ETOT(band)= -0.468244 trlgG= -0.587852 logG= -0.057394 TDE= -0.342308 logGD-logG0= -0.008873 tlogG= -0.048095 logG= -0.056969 logGD-logG0= -0.009598 tlogG= -0.046604 logG= -0.056202 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425524 ETOT(band)= -0.468437 trlgG= -0.586471 logG= -0.056969 TDE= -0.341821 Density= 0.322706 ETOT(band)= -0.349075 trlgG= -0.436402 logG= -0.056202 TDE= -0.341652 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.048148 logG= -0.058207 Density= 0.429298 ETOT(band)= -0.468352 trlgG= -0.588621 logG= -0.058207 TDE= -0.342355 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009418 tlogG= -0.046606 logG= -0.056024 Density= 0.428092 ETOT(band)= -0.466940 trlgG= -0.584457 logG= -0.056024 TDE= -0.341677 logGD-logG0= -0.004866 tlogG= -0.021299 logG= -0.026166 Density= 0.162652 ETOT(band)= -0.173013 trlgG= -0.215912 logG= -0.026166 TDE= -0.169901 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010170 tlogG= -0.047668 logG= -0.057837 Density= 0.428286 ETOT(band)= -0.468226 trlgG= -0.587183 logG= -0.057837 TDE= -0.341949 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023762 logG= -0.028920 Density= 0.216282 ETOT(band)= -0.233073 trlgG= -0.293409 logG= -0.028920 TDE= -0.171448 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048070 logG= -0.058472 Density= 0.430143 ETOT(band)= -0.468184 trlgG= -0.589061 logG= -0.058472 TDE= -0.342696 logGD-logG0= -0.010571 tlogG= -0.047728 logG= -0.058299 Density= 0.430752 ETOT(band)= -0.467605 trlgG= -0.588345 logG= -0.058299 TDE= -0.342712 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047649 logG= -0.057214 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426663 ETOT(band)= -0.468461 trlgG= -0.586989 logG= -0.057214 TDE= -0.341840 logGD-logG0= -0.009731 tlogG= -0.047853 logG= -0.057584 logGD-logG0= -0.010672 tlogG= -0.047693 logG= -0.058365 Density= 0.429133 ETOT(band)= -0.468017 trlgG= -0.587822 logG= -0.057584 TDE= -0.342295 Density= 0.431095 ETOT(band)= -0.467547 trlgG= -0.588703 logG= -0.058365 TDE= -0.342819 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.048221 logG= -0.058413 Density= 0.430036 ETOT(band)= -0.468354 trlgG= -0.589389 logG= -0.058413 TDE= -0.342570 logGD-logG0= -0.010232 tlogG= -0.046929 logG= -0.057161 Density= 0.429878 ETOT(band)= -0.466558 trlgG= -0.584220 logG= -0.057161 TDE= -0.341663 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009519 tlogG= -0.047768 logG= -0.057287 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427168 ETOT(band)= -0.468009 trlgG= -0.585839 logG= -0.057287 TDE= -0.341542 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.046399 logG= -0.056247 logGD-logG0= -0.010228 tlogG= -0.047956 logG= -0.058184 Density= 0.429201 ETOT(band)= -0.468314 trlgG= -0.588268 logG= -0.058184 TDE= -0.342195 Density= 0.429529 ETOT(band)= -0.465643 trlgG= -0.581521 logG= -0.056247 TDE= -0.341372 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.022327 logG= -0.027119 Density= 0.322874 ETOT(band)= -0.348043 trlgG= -0.434012 logG= -0.027119 TDE= -0.170269 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009912 tlogG= -0.047559 logG= -0.057471 Density= 0.428603 ETOT(band)= -0.467570 trlgG= -0.586221 logG= -0.057471 TDE= -0.341994 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.047267 logG= -0.057897 Density= 0.430481 ETOT(band)= -0.467181 trlgG= -0.586873 logG= -0.057897 TDE= -0.342328 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010596 tlogG= -0.048018 logG= -0.058615 Density= 0.431336 ETOT(band)= -0.467829 trlgG= -0.589696 logG= -0.058615 TDE= -0.343084 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010156 tlogG= -0.047569 logG= -0.057725 Density= 0.430009 ETOT(band)= -0.467204 trlgG= -0.586151 logG= -0.057725 TDE= -0.342108 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009884 tlogG= -0.044620 logG= -0.054504 Density= 0.324291 ETOT(band)= -0.346733 trlgG= -0.431951 logG= -0.054504 TDE= -0.340819 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007116 logG= -0.008796 Density= 0.072231 ETOT(band)= -0.076492 trlgG= -0.094839 logG= -0.008796 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.021878 logG= -0.026917 Density= 0.216631 ETOT(band)= -0.230324 trlgG= -0.286480 logG= -0.026917 TDE= -0.170247 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004949 tlogG= -0.021349 logG= -0.026298 Density= 0.217026 ETOT(band)= -0.229215 trlgG= -0.284274 logG= -0.026298 TDE= -0.169914 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004908 tlogG= -0.021204 logG= -0.026112 Density= 0.216349 ETOT(band)= -0.230077 trlgG= -0.285533 logG= -0.026112 TDE= -0.169821 logGD-logG0= -0.009732 tlogG= -0.044624 logG= -0.054355 Density= 0.431612 ETOT(band)= -0.462162 trlgG= -0.574732 logG= -0.054355 TDE= -0.340457 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.878010700380 eV TrLogG= -407.271175867422 eV Ratio to renormalize= 1.000031327293 rho-rho_expected=-0.000689178857 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 27) Finished k-point number 56 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964671257649008 0.940457027394701 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002307 tlogG= -0.011883 logG= -0.014190 Density= 0.053561 ETOT(band)= -0.058411 trlgG= -0.073263 logG= -0.014190 TDE= -0.085577 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.022168 logG= -0.027084 Density= 0.108360 ETOT(band)= -0.115446 trlgG= -0.143947 logG= -0.027084 TDE= -0.170485 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023683 logG= -0.028933 logGD-logG0= -0.004994 tlogG= -0.022733 logG= -0.027727 Density= 0.107230 ETOT(band)= -0.117021 trlgG= -0.146842 logG= -0.028933 TDE= -0.170971 Density= 0.108249 ETOT(band)= -0.115889 trlgG= -0.144992 logG= -0.027727 TDE= -0.170832 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.023642 logG= -0.028604 Density= 0.106976 ETOT(band)= -0.116950 trlgG= -0.146292 logG= -0.028604 TDE= -0.170625 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.023686 logG= -0.028358 Density= 0.106974 ETOT(band)= -0.116861 trlgG= -0.146482 logG= -0.028358 TDE= -0.171060 logGD-logG0= -0.004703 tlogG= -0.022852 logG= -0.027555 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107296 ETOT(band)= -0.116256 trlgG= -0.145048 logG= -0.027555 TDE= -0.170589 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010841 logG= -0.013284 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071538 logG= -0.013284 TDE= -0.085007 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009284 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048606 logG= -0.009284 TDE= -0.056884 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001392 tlogG= -0.008044 logG= -0.009437 Density= 0.035312 ETOT(band)= -0.039084 trlgG= -0.048971 logG= -0.009437 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012032 logG= -0.014616 Density= 0.053763 ETOT(band)= -0.058543 trlgG= -0.073682 logG= -0.014616 TDE= -0.085671 logGD-logG0= -0.002402 tlogG= -0.012082 logG= -0.014484 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053584 ETOT(band)= -0.058555 trlgG= -0.073625 logG= -0.014484 TDE= -0.085657 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002314 tlogG= -0.011448 logG= -0.013761 Density= 0.053736 ETOT(band)= -0.058079 trlgG= -0.072498 logG= -0.013761 TDE= -0.085328 logGD-logG0= -0.004311 tlogG= -0.023974 logG= -0.028285 Density= 0.106166 ETOT(band)= -0.117143 trlgG= -0.146672 logG= -0.028285 TDE= -0.170923 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023205 logG= -0.027790 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106734 ETOT(band)= -0.116642 trlgG= -0.145464 logG= -0.027790 TDE= -0.170491 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002540 tlogG= -0.011984 logG= -0.014524 Density= 0.054138 ETOT(band)= -0.058304 trlgG= -0.073544 logG= -0.014524 TDE= -0.085811 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022407 logG= -0.027382 Density= 0.107634 ETOT(band)= -0.115981 trlgG= -0.144437 logG= -0.027382 TDE= -0.170317 logGD-logG0= -0.004999 tlogG= -0.022456 logG= -0.027455 Density= 0.108204 ETOT(band)= -0.115753 trlgG= -0.144556 logG= -0.027455 TDE= -0.170646 logGD-logG0= -0.004671 tlogG= -0.022989 logG= -0.027661 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106870 ETOT(band)= -0.116510 trlgG= -0.145201 logG= -0.027661 TDE= -0.170425 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024051 logG= -0.028335 Density= 0.106114 ETOT(band)= -0.117187 trlgG= -0.146785 logG= -0.028335 TDE= -0.170961 logGD-logG0= -0.005100 tlogG= -0.023950 logG= -0.029049 Density= 0.108230 ETOT(band)= -0.116632 trlgG= -0.147093 logG= -0.029049 TDE= -0.171601 logGD-logG0= -0.005067 tlogG= -0.022982 logG= -0.028048 logGD-logG0= -0.005113 tlogG= -0.023763 logG= -0.028876 Density= 0.108179 ETOT(band)= -0.116557 trlgG= -0.146814 logG= -0.028876 TDE= -0.171471 Density= 0.108136 ETOT(band)= -0.116126 trlgG= -0.145504 logG= -0.028048 TDE= -0.170967 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004508 tlogG= -0.024046 logG= -0.028553 logGD-logG0= -0.005242 tlogG= -0.024070 logG= -0.029313 Density= 0.106385 ETOT(band)= -0.117174 trlgG= -0.146793 logG= -0.028553 TDE= -0.170885 Density= 0.107642 ETOT(band)= -0.117086 trlgG= -0.147510 logG= -0.029313 TDE= -0.171464 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.023430 logG= -0.028538 Density= 0.108132 ETOT(band)= -0.116396 trlgG= -0.146279 logG= -0.028538 TDE= -0.171250 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002609 tlogG= -0.011988 logG= -0.014597 logGD-logG0= -0.005283 tlogG= -0.024133 logG= -0.029417 Density= 0.053983 ETOT(band)= -0.058425 trlgG= -0.073666 logG= -0.014597 TDE= -0.085783 logGD-logG0= -0.004957 tlogG= -0.024092 logG= -0.029049 logGD-logG0= -0.005251 tlogG= -0.024087 logG= -0.029338 Density= 0.107888 ETOT(band)= -0.116993 trlgG= -0.147573 logG= -0.029338 TDE= -0.171623 logGD-logG0= -0.004793 tlogG= -0.023688 logG= -0.028481 Density= 0.107378 ETOT(band)= -0.116741 trlgG= -0.146390 logG= -0.028481 TDE= -0.171045 Density= 0.107811 ETOT(band)= -0.117082 trlgG= -0.147699 logG= -0.029417 TDE= -0.171632 Density= 0.107379 ETOT(band)= -0.117052 trlgG= -0.147132 logG= -0.029049 TDE= -0.171219 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004827 tlogG= -0.022849 logG= -0.027675 Density= 0.107747 ETOT(band)= -0.116110 trlgG= -0.144921 logG= -0.027675 TDE= -0.170564 logGD-logG0= -0.005193 tlogG= -0.023967 logG= -0.029159 Density= 0.107443 ETOT(band)= -0.117073 trlgG= -0.147237 logG= -0.029159 TDE= -0.171246 logGD-logG0= -0.005275 tlogG= -0.023901 logG= -0.029176 Density= 0.107752 ETOT(band)= -0.116952 trlgG= -0.147294 logG= -0.029176 TDE= -0.171439 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.023871 logG= -0.028958 Density= 0.108251 ETOT(band)= -0.116567 trlgG= -0.146944 logG= -0.028958 TDE= -0.171554 logGD-logG0= -0.005059 tlogG= -0.023215 logG= -0.028274 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108195 ETOT(band)= -0.116219 trlgG= -0.145860 logG= -0.028274 TDE= -0.171126 logGD-logG0= -0.004643 tlogG= -0.023668 logG= -0.028311 Density= 0.106595 ETOT(band)= -0.116980 trlgG= -0.146378 logG= -0.028311 TDE= -0.170816 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023605 logG= -0.028694 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108205 ETOT(band)= -0.116442 trlgG= -0.146523 logG= -0.028694 TDE= -0.171374 logGD-logG0= -0.002383 tlogG= -0.010425 logG= -0.012809 logGD-logG0= -0.004867 tlogG= -0.023892 logG= -0.028759 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054380 ETOT(band)= -0.057080 trlgG= -0.070690 logG= -0.012809 TDE= -0.084791 Density= 0.106754 ETOT(band)= -0.117134 trlgG= -0.146905 logG= -0.028759 TDE= -0.170973 logGD-logG0= -0.005074 tlogG= -0.022874 logG= -0.027948 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107615 ETOT(band)= -0.116315 trlgG= -0.145333 logG= -0.027948 TDE= -0.170639 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001677 tlogG= -0.007304 logG= -0.008982 Density= 0.035844 ETOT(band)= -0.038582 trlgG= -0.047908 logG= -0.008982 TDE= -0.056663 logGD-logG0= -0.004844 tlogG= -0.024069 logG= -0.028913 Density= 0.107055 ETOT(band)= -0.117114 trlgG= -0.147159 logG= -0.028913 TDE= -0.171222 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023195 logG= -0.028460 Density= 0.107683 ETOT(band)= -0.116563 trlgG= -0.146143 logG= -0.028460 TDE= -0.170969 logGD-logG0= -0.001611 tlogG= -0.006991 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047246 logG= -0.008602 TDE= -0.056555 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004697 tlogG= -0.023500 logG= -0.028197 Density= 0.106771 ETOT(band)= -0.116833 trlgG= -0.145948 logG= -0.028197 TDE= -0.170587 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.048244 logG= -0.057954 Density= 0.214400 ETOT(band)= -0.234187 trlgG= -0.294391 logG= -0.057954 TDE= -0.342533 logGD-logG0= -0.005237 tlogG= -0.023870 logG= -0.029107 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107916 ETOT(band)= -0.116819 trlgG= -0.147187 logG= -0.029107 TDE= -0.171483 logGD-logG0= -0.009396 tlogG= -0.045759 logG= -0.055156 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215018 ETOT(band)= -0.232344 trlgG= -0.289997 logG= -0.055156 TDE= -0.341243 logGD-logG0= -0.005226 tlogG= -0.024058 logG= -0.029284 Density= 0.107947 ETOT(band)= -0.116926 trlgG= -0.147484 logG= -0.029284 TDE= -0.171618 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009676 tlogG= -0.045590 logG= -0.055266 logGD-logG0= -0.009576 tlogG= -0.047159 logG= -0.056735 Density= 0.214361 ETOT(band)= -0.232696 trlgG= -0.290177 logG= -0.055266 TDE= -0.340987 Density= 0.213763 ETOT(band)= -0.233782 trlgG= -0.292817 logG= -0.056735 TDE= -0.341862 logGD-logG0= -0.005274 tlogG= -0.023579 logG= -0.028854 logGD-logG0= -0.009856 tlogG= -0.047900 logG= -0.057756 Density= 0.213966 ETOT(band)= -0.234226 trlgG= -0.294080 logG= -0.057756 TDE= -0.342205 Density= 0.107800 ETOT(band)= -0.116724 trlgG= -0.146772 logG= -0.028854 TDE= -0.171263 logGD-logG0= -0.009034 tlogG= -0.047631 logG= -0.056665 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212920 ETOT(band)= -0.234083 trlgG= -0.292889 logG= -0.056665 TDE= -0.341587 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.047747 logG= -0.058179 Density= 0.214756 ETOT(band)= -0.234109 trlgG= -0.294226 logG= -0.058179 TDE= -0.342320 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047154 logG= -0.056891 Density= 0.213774 ETOT(band)= -0.233826 trlgG= -0.292608 logG= -0.056891 TDE= -0.341503 logGD-logG0= -0.009349 tlogG= -0.047447 logG= -0.056796 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010387 tlogG= -0.048081 logG= -0.058468 Density= 0.215071 ETOT(band)= -0.234162 trlgG= -0.294737 logG= -0.058468 TDE= -0.342696 Density= 0.214310 ETOT(band)= -0.233611 trlgG= -0.292945 logG= -0.056796 TDE= -0.342201 logGD-logG0= -0.009464 tlogG= -0.047930 logG= -0.057394 logGD-logG0= -0.010236 tlogG= -0.047979 logG= -0.058215 logGD-logG0= -0.010468 tlogG= -0.048015 logG= -0.058483 Density= 0.215108 ETOT(band)= -0.234153 trlgG= -0.294764 logG= -0.058483 TDE= -0.342727 logGD-logG0= -0.009979 tlogG= -0.048029 logG= -0.058008 Density= 0.214530 ETOT(band)= -0.234133 trlgG= -0.294140 logG= -0.058008 TDE= -0.342292 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047787 logG= -0.058083 Density= 0.214655 ETOT(band)= -0.234104 trlgG= -0.294058 logG= -0.058083 TDE= -0.342197 Density= 0.215074 ETOT(band)= -0.234017 trlgG= -0.294320 logG= -0.058215 TDE= -0.342534 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009781 tlogG= -0.045648 logG= -0.055430 Density= 0.215150 ETOT(band)= -0.232419 trlgG= -0.289988 logG= -0.055430 TDE= -0.341026 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213268 ETOT(band)= -0.234292 trlgG= -0.293534 logG= -0.057394 TDE= -0.341675 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010097 tlogG= -0.047660 logG= -0.057756 Density= 0.213946 ETOT(band)= -0.234213 trlgG= -0.293833 logG= -0.057756 TDE= -0.341948 logGD-logG0= -0.010449 tlogG= -0.047942 logG= -0.058391 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215899 ETOT(band)= -0.233722 trlgG= -0.294668 logG= -0.058391 TDE= -0.343115 logGD-logG0= -0.010095 tlogG= -0.046411 logG= -0.056506 logGD-logG0= -0.010524 tlogG= -0.047529 logG= -0.058053 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215702 ETOT(band)= -0.233607 trlgG= -0.294106 logG= -0.058053 TDE= -0.342794 logGD-logG0= -0.010534 tlogG= -0.046878 logG= -0.057412 Density= 0.215216 ETOT(band)= -0.232981 trlgG= -0.291623 logG= -0.056506 TDE= -0.341616 logGD-logG0= -0.010324 tlogG= -0.047308 logG= -0.057632 Density= 0.214260 ETOT(band)= -0.234005 trlgG= -0.293309 logG= -0.057632 TDE= -0.341703 Density= 0.215431 ETOT(band)= -0.233371 trlgG= -0.293066 logG= -0.057412 TDE= -0.342260 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.021563 logG= -0.026428 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108516 ETOT(band)= -0.114895 trlgG= -0.142818 logG= -0.026428 TDE= -0.170089 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.048145 logG= -0.058727 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215425 ETOT(band)= -0.234178 trlgG= -0.295201 logG= -0.058727 TDE= -0.343077 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010491 tlogG= -0.047421 logG= -0.057912 Density= 0.215469 ETOT(band)= -0.233648 trlgG= -0.293867 logG= -0.057912 TDE= -0.342580 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004784 tlogG= -0.020987 logG= -0.025771 Density= 0.108713 ETOT(band)= -0.114307 trlgG= -0.141660 logG= -0.025771 TDE= -0.169685 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009704 tlogG= -0.047224 logG= -0.056928 Density= 0.214476 ETOT(band)= -0.233572 trlgG= -0.292719 logG= -0.056928 TDE= -0.341924 logGD-logG0= -0.010504 tlogG= -0.047890 logG= -0.058394 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215770 ETOT(band)= -0.233795 trlgG= -0.294671 logG= -0.058394 TDE= -0.343051 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.047152 logG= -0.057157 Density= 0.215151 ETOT(band)= -0.233383 trlgG= -0.292640 logG= -0.057157 TDE= -0.341951 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.021817 logG= -0.026848 Density= 0.107789 ETOT(band)= -0.115553 trlgG= -0.143561 logG= -0.026848 TDE= -0.170052 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004951 tlogG= -0.021873 logG= -0.026825 logGD-logG0= -0.004971 tlogG= -0.021694 logG= -0.026665 Density= 0.108325 ETOT(band)= -0.115262 trlgG= -0.143498 logG= -0.026825 TDE= -0.170278 Density= 0.107932 ETOT(band)= -0.115360 trlgG= -0.143251 logG= -0.026665 TDE= -0.169996 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009937 tlogG= -0.043388 logG= -0.053325 Density= 0.216280 ETOT(band)= -0.230507 trlgG= -0.286477 logG= -0.053325 TDE= -0.340178 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087413 trlgG= -0.109611 logG= -0.006995 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023957 logG= -0.028992 Density= 0.214338 ETOT(band)= -0.234138 trlgG= -0.293916 logG= -0.028992 TDE= -0.171085 logGD-logG0= -0.005077 tlogG= -0.022438 logG= -0.027515 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216373 ETOT(band)= -0.231323 trlgG= -0.288600 logG= -0.027515 TDE= -0.170587 logGD-logG0= -0.005138 tlogG= -0.022967 logG= -0.028105 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216228 ETOT(band)= -0.232121 trlgG= -0.290586 logG= -0.028105 TDE= -0.170922 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023370 logG= -0.027980 Density= 0.214182 ETOT(band)= -0.233417 trlgG= -0.292339 logG= -0.027980 TDE= -0.170930 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023882 logG= -0.028757 Density= 0.213784 ETOT(band)= -0.234054 trlgG= -0.293009 logG= -0.028757 TDE= -0.170814 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001214 tlogG= -0.005468 logG= -0.006682 Density= 0.081202 ETOT(band)= -0.086369 trlgG= -0.107368 logG= -0.006682 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004752 tlogG= -0.022326 logG= -0.027079 Density= 0.215029 ETOT(band)= -0.231995 trlgG= -0.289090 logG= -0.027079 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001419 tlogG= -0.007966 logG= -0.009384 Density= 0.070865 ETOT(band)= -0.077966 trlgG= -0.097455 logG= -0.009384 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007206 Density= 0.080832 ETOT(band)= -0.087662 trlgG= -0.110364 logG= -0.007206 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005855 logG= -0.007118 Density= 0.080648 ETOT(band)= -0.087628 trlgG= -0.110167 logG= -0.007118 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023740 logG= -0.028131 Density= 0.213082 ETOT(band)= -0.233633 trlgG= -0.291769 logG= -0.028131 TDE= -0.170801 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.006873 logG= -0.008441 logGD-logG0= -0.004446 tlogG= -0.023586 logG= -0.028033 Density= 0.212614 ETOT(band)= -0.234042 trlgG= -0.292745 logG= -0.028033 TDE= -0.170716 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040850 ETOT(band)= -0.042679 trlgG= -0.052796 logG= -0.008441 TDE= -0.056469 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005619 logG= -0.006846 Density= 0.080838 ETOT(band)= -0.086983 trlgG= -0.108608 logG= -0.006846 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001176 tlogG= -0.005171 logG= -0.006347 Density= 0.062540 ETOT(band)= -0.067557 trlgG= -0.084208 logG= -0.006347 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004925 tlogG= -0.022905 logG= -0.027830 Density= 0.214796 ETOT(band)= -0.232443 trlgG= -0.289690 logG= -0.027830 TDE= -0.170453 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005984 logG= -0.007249 Density= 0.081062 ETOT(band)= -0.087564 trlgG= -0.110416 logG= -0.007249 TDE= -0.042901 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.024001 logG= -0.029183 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071497 ETOT(band)= -0.077362 trlgG= -0.096156 logG= -0.009146 TDE= -0.056745 Density= 0.215688 ETOT(band)= -0.233896 trlgG= -0.294825 logG= -0.029183 TDE= -0.171599 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023799 logG= -0.029015 Density= 0.215335 ETOT(band)= -0.233803 trlgG= -0.294170 logG= -0.029015 TDE= -0.171447 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023481 logG= -0.028692 Density= 0.215215 ETOT(band)= -0.233368 trlgG= -0.292907 logG= -0.028692 TDE= -0.171189 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.024006 logG= -0.028736 Density= 0.321564 ETOT(band)= -0.351173 trlgG= -0.441343 logG= -0.028736 TDE= -0.171247 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023999 logG= -0.029145 Density= 0.216359 ETOT(band)= -0.233375 trlgG= -0.294346 logG= -0.029145 TDE= -0.171617 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023844 logG= -0.028877 Density= 0.215497 ETOT(band)= -0.233798 trlgG= -0.294275 logG= -0.028877 TDE= -0.171135 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023972 logG= -0.028508 Density= 0.212803 ETOT(band)= -0.234319 trlgG= -0.293493 logG= -0.028508 TDE= -0.170852 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045628 logG= -0.055720 Density= 0.324048 ETOT(band)= -0.348004 trlgG= -0.434965 logG= -0.055720 TDE= -0.341498 logGD-logG0= -0.005275 tlogG= -0.024122 logG= -0.029397 Density= 0.215721 ETOT(band)= -0.234052 trlgG= -0.295241 logG= -0.029397 TDE= -0.171632 logGD-logG0= -0.010320 tlogG= -0.047786 logG= -0.058106 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006501 Density= 0.324356 ETOT(band)= -0.349969 trlgG= -0.441018 logG= -0.058106 TDE= -0.343073 Density= 0.081561 ETOT(band)= -0.085700 trlgG= -0.106207 logG= -0.006501 TDE= -0.042466 logGD-logG0= -0.004976 tlogG= -0.024157 logG= -0.029132 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214741 ETOT(band)= -0.234209 trlgG= -0.294530 logG= -0.029132 TDE= -0.171257 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004641 tlogG= -0.023367 logG= -0.028008 Density= 0.321634 ETOT(band)= -0.350125 trlgG= -0.438766 logG= -0.028008 TDE= -0.170921 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024162 logG= -0.029163 Density= 0.322440 ETOT(band)= -0.351283 trlgG= -0.442021 logG= -0.029163 TDE= -0.171252 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023956 logG= -0.029095 Density= 0.216393 ETOT(band)= -0.233271 trlgG= -0.294114 logG= -0.029095 TDE= -0.171590 logGD-logG0= -0.010606 tlogG= -0.048040 logG= -0.058645 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323249 ETOT(band)= -0.351045 trlgG= -0.442367 logG= -0.058645 TDE= -0.343067 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023415 logG= -0.028580 Density= 0.216201 ETOT(band)= -0.232695 trlgG= -0.292202 logG= -0.028580 TDE= -0.171210 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023244 logG= -0.027985 Density= 0.213495 ETOT(band)= -0.233660 trlgG= -0.292229 logG= -0.027985 TDE= -0.170766 logGD-logG0= -0.004561 tlogG= -0.023890 logG= -0.028451 logGD-logG0= -0.010367 tlogG= -0.047235 logG= -0.057601 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.024083 logG= -0.029290 Density= 0.324137 ETOT(band)= -0.349603 trlgG= -0.439671 logG= -0.057601 TDE= -0.342681 Density= 0.323063 ETOT(band)= -0.351254 trlgG= -0.442671 logG= -0.029290 TDE= -0.171446 logGD-logG0= -0.010365 tlogG= -0.046413 logG= -0.056778 logGD-logG0= -0.005158 tlogG= -0.023762 logG= -0.028920 Density= 0.216282 ETOT(band)= -0.233074 trlgG= -0.293409 logG= -0.028920 TDE= -0.171448 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023244 logG= -0.028231 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324000 ETOT(band)= -0.348947 trlgG= -0.437585 logG= -0.056778 TDE= -0.342123 Density= 0.321700 ETOT(band)= -0.350631 trlgG= -0.439618 logG= -0.028231 TDE= -0.170876 logGD-logG0= -0.004697 tlogG= -0.024007 logG= -0.028704 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004258 tlogG= -0.024131 logG= -0.028389 Density= 0.212166 ETOT(band)= -0.234424 trlgG= -0.293694 logG= -0.028389 TDE= -0.170999 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009598 tlogG= -0.046604 logG= -0.056202 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214119 ETOT(band)= -0.234130 trlgG= -0.294133 logG= -0.028704 TDE= -0.171252 Density= 0.322706 ETOT(band)= -0.349076 trlgG= -0.436403 logG= -0.056202 TDE= -0.341652 logGD-logG0= -0.004792 tlogG= -0.023836 logG= -0.028628 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023898 logG= -0.029221 Density= 0.213570 ETOT(band)= -0.234193 trlgG= -0.293746 logG= -0.028628 TDE= -0.171070 Density= 0.215648 ETOT(band)= -0.233798 trlgG= -0.294553 logG= -0.029221 TDE= -0.171455 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023957 logG= -0.029265 Density= 0.323664 ETOT(band)= -0.350716 trlgG= -0.442110 logG= -0.029265 TDE= -0.171504 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213277 ETOT(band)= -0.233908 trlgG= -0.292498 logG= -0.028451 TDE= -0.170804 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009555 tlogG= -0.047839 logG= -0.057395 logGD-logG0= -0.009364 tlogG= -0.046713 logG= -0.056076 Density= 0.428032 ETOT(band)= -0.468245 trlgG= -0.587853 logG= -0.057395 TDE= -0.342309 Density= 0.427887 ETOT(band)= -0.466219 trlgG= -0.581852 logG= -0.056076 TDE= -0.341262 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023194 logG= -0.028322 logGD-logG0= -0.008873 tlogG= -0.048096 logG= -0.056969 logGD-logG0= -0.005394 tlogG= -0.023354 logG= -0.028747 Density= 0.215107 ETOT(band)= -0.233395 trlgG= -0.292716 logG= -0.028747 TDE= -0.170984 logGD-logG0= -0.010059 tlogG= -0.048148 logG= -0.058207 Density= 0.425524 ETOT(band)= -0.468438 trlgG= -0.586473 logG= -0.056969 TDE= -0.341821 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429298 ETOT(band)= -0.468353 trlgG= -0.588622 logG= -0.058207 TDE= -0.342355 Density= 0.214867 ETOT(band)= -0.232997 trlgG= -0.291221 logG= -0.028322 TDE= -0.170640 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007116 logG= -0.008796 Density= 0.072231 ETOT(band)= -0.076492 trlgG= -0.094839 logG= -0.008796 TDE= -0.056630 logGD-logG0= -0.004866 tlogG= -0.021299 logG= -0.026166 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010228 tlogG= -0.047956 logG= -0.058184 Density= 0.429201 ETOT(band)= -0.468315 trlgG= -0.588269 logG= -0.058184 TDE= -0.342196 logGD-logG0= -0.005371 tlogG= -0.023684 logG= -0.029055 Density= 0.215409 ETOT(band)= -0.233651 trlgG= -0.293855 logG= -0.029055 TDE= -0.171278 Density= 0.162653 ETOT(band)= -0.173013 trlgG= -0.215913 logG= -0.026166 TDE= -0.169901 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004906 tlogG= -0.022292 logG= -0.027197 Density= 0.214259 ETOT(band)= -0.232485 trlgG= -0.289445 logG= -0.027197 TDE= -0.170188 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009418 tlogG= -0.046607 logG= -0.056025 Density= 0.428092 ETOT(band)= -0.466941 trlgG= -0.584458 logG= -0.056025 TDE= -0.341678 logGD-logG0= -0.010192 tlogG= -0.048221 logG= -0.058413 Density= 0.430037 ETOT(band)= -0.468355 trlgG= -0.589390 logG= -0.058413 TDE= -0.342571 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009731 tlogG= -0.047853 logG= -0.057584 Density= 0.429133 ETOT(band)= -0.468017 trlgG= -0.587823 logG= -0.057584 TDE= -0.342295 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048070 logG= -0.058473 Density= 0.430143 ETOT(band)= -0.468185 trlgG= -0.589062 logG= -0.058473 TDE= -0.342696 logGD-logG0= -0.010170 tlogG= -0.047668 logG= -0.057837 Density= 0.428286 ETOT(band)= -0.468227 trlgG= -0.587185 logG= -0.057837 TDE= -0.341950 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.047728 logG= -0.058299 Density= 0.430752 ETOT(band)= -0.467605 trlgG= -0.588346 logG= -0.058299 TDE= -0.342713 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.047693 logG= -0.058365 Density= 0.431095 ETOT(band)= -0.467547 trlgG= -0.588704 logG= -0.058365 TDE= -0.342819 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.046399 logG= -0.056247 logGD-logG0= -0.009519 tlogG= -0.047769 logG= -0.057288 Density= 0.427168 ETOT(band)= -0.468010 trlgG= -0.585840 logG= -0.057288 TDE= -0.341542 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429529 ETOT(band)= -0.465644 trlgG= -0.581522 logG= -0.056247 TDE= -0.341373 logGD-logG0= -0.004874 tlogG= -0.022473 logG= -0.027347 Density= 0.215023 ETOT(band)= -0.231706 trlgG= -0.288045 logG= -0.027347 TDE= -0.170201 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047649 logG= -0.057215 Density= 0.426663 ETOT(band)= -0.468461 trlgG= -0.586990 logG= -0.057215 TDE= -0.341840 logGD-logG0= -0.010232 tlogG= -0.046929 logG= -0.057161 Density= 0.429878 ETOT(band)= -0.466558 trlgG= -0.584221 logG= -0.057161 TDE= -0.341663 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047559 logG= -0.057471 Density= 0.428603 ETOT(band)= -0.467571 trlgG= -0.586222 logG= -0.057471 TDE= -0.341994 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.047267 logG= -0.057897 Density= 0.430481 ETOT(band)= -0.467182 trlgG= -0.586874 logG= -0.057897 TDE= -0.342328 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010596 tlogG= -0.048019 logG= -0.058615 Density= 0.431336 ETOT(band)= -0.467829 trlgG= -0.589697 logG= -0.058615 TDE= -0.343084 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010156 tlogG= -0.047569 logG= -0.057725 Density= 0.430009 ETOT(band)= -0.467205 trlgG= -0.586152 logG= -0.057725 TDE= -0.342109 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.022327 logG= -0.027119 Density= 0.322874 ETOT(band)= -0.348044 trlgG= -0.434013 logG= -0.027119 TDE= -0.170269 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005038 tlogG= -0.021878 logG= -0.026917 Density= 0.216631 ETOT(band)= -0.230324 trlgG= -0.286480 logG= -0.026917 TDE= -0.170247 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009884 tlogG= -0.044620 logG= -0.054504 logGD-logG0= -0.004949 tlogG= -0.021349 logG= -0.026298 Density= 0.217026 ETOT(band)= -0.229215 trlgG= -0.284274 logG= -0.026298 TDE= -0.169915 Density= 0.324291 ETOT(band)= -0.346734 trlgG= -0.431951 logG= -0.054504 TDE= -0.340820 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.021204 logG= -0.026112 Density= 0.216349 ETOT(band)= -0.230078 trlgG= -0.285533 logG= -0.026112 TDE= -0.169821 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009732 tlogG= -0.044624 logG= -0.054356 Density= 0.431612 ETOT(band)= -0.462163 trlgG= -0.574733 logG= -0.054356 TDE= -0.340458 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.878516919350 eV TrLogG= -407.271957923880 eV Ratio to renormalize= 1.000031060906 rho-rho_expected=-0.000683318707 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 65) Finished k-point number 131 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964673551782052 0.940461784497256 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.004916 tlogG= -0.022169 logG= -0.027085 Density= 0.108361 ETOT(band)= -0.115447 trlgG= -0.143949 logG= -0.027085 TDE= -0.170487 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004508 tlogG= -0.024046 logG= -0.028554 logGD-logG0= -0.005250 tlogG= -0.023684 logG= -0.028934 Density= 0.106385 ETOT(band)= -0.117176 trlgG= -0.146795 logG= -0.028554 TDE= -0.170887 Density= 0.107230 ETOT(band)= -0.117022 trlgG= -0.146844 logG= -0.028934 TDE= -0.170973 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023216 logG= -0.028275 Density= 0.108196 ETOT(band)= -0.116220 trlgG= -0.145862 logG= -0.028275 TDE= -0.171127 logGD-logG0= -0.004961 tlogG= -0.023643 logG= -0.028604 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106976 ETOT(band)= -0.116952 trlgG= -0.146294 logG= -0.028604 TDE= -0.170627 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.023687 logG= -0.028358 logGD-logG0= -0.004994 tlogG= -0.022733 logG= -0.027727 Density= 0.108250 ETOT(band)= -0.115890 trlgG= -0.144994 logG= -0.027727 TDE= -0.170834 Density= 0.106974 ETOT(band)= -0.116863 trlgG= -0.146484 logG= -0.028358 TDE= -0.171062 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023195 logG= -0.028461 Density= 0.107683 ETOT(band)= -0.116564 trlgG= -0.146145 logG= -0.028461 TDE= -0.170971 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000853 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002584 tlogG= -0.012032 logG= -0.014616 Density= 0.053763 ETOT(band)= -0.058543 trlgG= -0.073683 logG= -0.014616 TDE= -0.085671 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002314 tlogG= -0.011448 logG= -0.013761 Density= 0.053737 ETOT(band)= -0.058080 trlgG= -0.072499 logG= -0.013761 TDE= -0.085329 logGD-logG0= -0.002402 tlogG= -0.012082 logG= -0.014484 Density= 0.053584 ETOT(band)= -0.058555 trlgG= -0.073626 logG= -0.014484 TDE= -0.085658 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009285 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048607 logG= -0.009285 TDE= -0.056885 logGD-logG0= -0.001392 tlogG= -0.008045 logG= -0.009437 Density= 0.035312 ETOT(band)= -0.039084 trlgG= -0.048972 logG= -0.009437 TDE= -0.057009 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002306 tlogG= -0.011884 logG= -0.014190 Density= 0.053561 ETOT(band)= -0.058411 trlgG= -0.073264 logG= -0.014190 TDE= -0.085578 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002540 tlogG= -0.011984 logG= -0.014524 Density= 0.054139 ETOT(band)= -0.058304 trlgG= -0.073545 logG= -0.014524 TDE= -0.085812 logGD-logG0= -0.005108 tlogG= -0.023430 logG= -0.028538 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108132 ETOT(band)= -0.116397 trlgG= -0.146281 logG= -0.028538 TDE= -0.171251 logGD-logG0= -0.005112 tlogG= -0.023764 logG= -0.028876 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024071 logG= -0.029313 logGD-logG0= -0.005066 tlogG= -0.022982 logG= -0.028049 Density= 0.108136 ETOT(band)= -0.116127 trlgG= -0.145506 logG= -0.028049 TDE= -0.170968 logGD-logG0= -0.004999 tlogG= -0.022457 logG= -0.027455 Density= 0.107643 ETOT(band)= -0.117088 trlgG= -0.147512 logG= -0.029313 TDE= -0.171465 Density= 0.108204 ETOT(band)= -0.115754 trlgG= -0.144558 logG= -0.027455 TDE= -0.170648 Density= 0.108179 ETOT(band)= -0.116559 trlgG= -0.146816 logG= -0.028876 TDE= -0.171473 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002609 tlogG= -0.011988 logG= -0.014597 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.023975 logG= -0.028286 Density= 0.053983 ETOT(band)= -0.058426 trlgG= -0.073667 logG= -0.014597 TDE= -0.085783 Density= 0.106166 ETOT(band)= -0.117144 trlgG= -0.146674 logG= -0.028286 TDE= -0.170925 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005099 tlogG= -0.023951 logG= -0.029050 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108231 ETOT(band)= -0.116633 trlgG= -0.147095 logG= -0.029050 TDE= -0.171603 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.024093 logG= -0.029049 Density= 0.107379 ETOT(band)= -0.117053 trlgG= -0.147134 logG= -0.029049 TDE= -0.171221 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.023688 logG= -0.028481 Density= 0.107378 ETOT(band)= -0.116743 trlgG= -0.146392 logG= -0.028481 TDE= -0.171047 logGD-logG0= -0.005087 tlogG= -0.023872 logG= -0.028958 Density= 0.108251 ETOT(band)= -0.116569 trlgG= -0.146946 logG= -0.028958 TDE= -0.171555 logGD-logG0= -0.005089 tlogG= -0.023605 logG= -0.028695 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108205 ETOT(band)= -0.116443 trlgG= -0.146525 logG= -0.028695 TDE= -0.171375 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.022990 logG= -0.027661 Density= 0.106870 ETOT(band)= -0.116511 trlgG= -0.145203 logG= -0.027661 TDE= -0.170427 logGD-logG0= -0.005074 tlogG= -0.022875 logG= -0.027949 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107616 ETOT(band)= -0.116316 trlgG= -0.145335 logG= -0.027949 TDE= -0.170640 logGD-logG0= -0.005275 tlogG= -0.023902 logG= -0.029177 logGD-logG0= -0.004642 tlogG= -0.023669 logG= -0.028311 logGD-logG0= -0.004975 tlogG= -0.022408 logG= -0.027383 Density= 0.107634 ETOT(band)= -0.115983 trlgG= -0.144439 logG= -0.027383 TDE= -0.170319 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107752 ETOT(band)= -0.116953 trlgG= -0.147296 logG= -0.029177 TDE= -0.171440 Density= 0.106596 ETOT(band)= -0.116981 trlgG= -0.146380 logG= -0.028311 TDE= -0.170817 logGD-logG0= -0.005192 tlogG= -0.023967 logG= -0.029160 Density= 0.107444 ETOT(band)= -0.117074 trlgG= -0.147239 logG= -0.029160 TDE= -0.171248 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.024088 logG= -0.029338 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005283 tlogG= -0.024134 logG= -0.029417 Density= 0.107889 ETOT(band)= -0.116995 trlgG= -0.147575 logG= -0.029338 TDE= -0.171625 Density= 0.107811 ETOT(band)= -0.117083 trlgG= -0.147701 logG= -0.029417 TDE= -0.171634 logGD-logG0= -0.004867 tlogG= -0.023893 logG= -0.028760 Density= 0.106755 ETOT(band)= -0.117135 trlgG= -0.146907 logG= -0.028760 TDE= -0.170975 logGD-logG0= -0.004697 tlogG= -0.023500 logG= -0.028197 Density= 0.106771 ETOT(band)= -0.116834 trlgG= -0.145950 logG= -0.028197 TDE= -0.170588 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.024070 logG= -0.028913 Density= 0.107055 ETOT(band)= -0.117116 trlgG= -0.147161 logG= -0.028913 TDE= -0.171224 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024052 logG= -0.028336 Density= 0.106114 ETOT(band)= -0.117188 trlgG= -0.146787 logG= -0.028336 TDE= -0.170962 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002383 tlogG= -0.010425 logG= -0.012809 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054380 ETOT(band)= -0.057081 trlgG= -0.070691 logG= -0.012809 TDE= -0.084792 logGD-logG0= -0.004826 tlogG= -0.022849 logG= -0.027676 Density= 0.107748 ETOT(band)= -0.116111 trlgG= -0.144923 logG= -0.027676 TDE= -0.170566 logGD-logG0= -0.005237 tlogG= -0.023871 logG= -0.029107 Density= 0.107917 ETOT(band)= -0.116821 trlgG= -0.147189 logG= -0.029107 TDE= -0.171484 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004703 tlogG= -0.022852 logG= -0.027555 Density= 0.107297 ETOT(band)= -0.116257 trlgG= -0.145050 logG= -0.027555 TDE= -0.170591 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023580 logG= -0.028854 logGD-logG0= -0.009396 tlogG= -0.045761 logG= -0.055157 Density= 0.107801 ETOT(band)= -0.116725 trlgG= -0.146774 logG= -0.028854 TDE= -0.171265 Density= 0.215018 ETOT(band)= -0.232347 trlgG= -0.290001 logG= -0.055157 TDE= -0.341246 logGD-logG0= -0.009710 tlogG= -0.048245 logG= -0.057955 Density= 0.214400 ETOT(band)= -0.234189 trlgG= -0.294395 logG= -0.057955 TDE= -0.342537 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009576 tlogG= -0.047161 logG= -0.056736 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009034 tlogG= -0.047632 logG= -0.056666 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213764 ETOT(band)= -0.233785 trlgG= -0.292821 logG= -0.056736 TDE= -0.341865 Density= 0.212921 ETOT(band)= -0.234086 trlgG= -0.292893 logG= -0.056666 TDE= -0.341591 logGD-logG0= -0.009855 tlogG= -0.047902 logG= -0.057757 Density= 0.213967 ETOT(band)= -0.234229 trlgG= -0.294085 logG= -0.057757 TDE= -0.342209 logGD-logG0= -0.009676 tlogG= -0.045591 logG= -0.055267 Density= 0.214362 ETOT(band)= -0.232699 trlgG= -0.290181 logG= -0.055267 TDE= -0.340991 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.047931 logG= -0.057395 Density= 0.213269 ETOT(band)= -0.234295 trlgG= -0.293538 logG= -0.057395 TDE= -0.341679 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005225 tlogG= -0.024059 logG= -0.029285 Density= 0.107948 ETOT(band)= -0.116927 trlgG= -0.147486 logG= -0.029285 TDE= -0.171620 logGD-logG0= -0.009348 tlogG= -0.047449 logG= -0.056797 Density= 0.214310 ETOT(band)= -0.233614 trlgG= -0.292949 logG= -0.056797 TDE= -0.342204 logGD-logG0= -0.009737 tlogG= -0.047155 logG= -0.056893 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213775 ETOT(band)= -0.233829 trlgG= -0.292612 logG= -0.056893 TDE= -0.341506 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001677 tlogG= -0.007305 logG= -0.008982 Density= 0.035844 ETOT(band)= -0.038582 trlgG= -0.047908 logG= -0.008982 TDE= -0.056664 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010387 tlogG= -0.048082 logG= -0.058469 logGD-logG0= -0.009781 tlogG= -0.045650 logG= -0.055431 Density= 0.215150 ETOT(band)= -0.232422 trlgG= -0.289992 logG= -0.055431 TDE= -0.341029 logGD-logG0= -0.010235 tlogG= -0.047981 logG= -0.058216 Density= 0.215072 ETOT(band)= -0.234165 trlgG= -0.294741 logG= -0.058469 TDE= -0.342700 Density= 0.215074 ETOT(band)= -0.234020 trlgG= -0.294324 logG= -0.058216 TDE= -0.342538 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009979 tlogG= -0.048030 logG= -0.058009 logGD-logG0= -0.010468 tlogG= -0.048016 logG= -0.058484 Density= 0.215109 ETOT(band)= -0.234156 trlgG= -0.294768 logG= -0.058484 TDE= -0.342730 logGD-logG0= -0.010296 tlogG= -0.047788 logG= -0.058084 Density= 0.214656 ETOT(band)= -0.234106 trlgG= -0.294062 logG= -0.058084 TDE= -0.342200 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214531 ETOT(band)= -0.234136 trlgG= -0.294144 logG= -0.058009 TDE= -0.342295 logGD-logG0= -0.001611 tlogG= -0.006991 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047246 logG= -0.008602 TDE= -0.056556 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010096 tlogG= -0.047661 logG= -0.057758 Density= 0.213947 ETOT(band)= -0.234216 trlgG= -0.293837 logG= -0.057758 TDE= -0.341951 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010523 tlogG= -0.047530 logG= -0.058054 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215703 ETOT(band)= -0.233609 trlgG= -0.294110 logG= -0.058054 TDE= -0.342797 logGD-logG0= -0.002444 tlogG= -0.010841 logG= -0.013284 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071539 logG= -0.013284 TDE= -0.085008 logGD-logG0= -0.010324 tlogG= -0.047309 logG= -0.057633 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214260 ETOT(band)= -0.234008 trlgG= -0.293313 logG= -0.057633 TDE= -0.341706 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010448 tlogG= -0.047943 logG= -0.058392 Density= 0.215900 ETOT(band)= -0.233725 trlgG= -0.294672 logG= -0.058392 TDE= -0.343118 logGD-logG0= -0.010432 tlogG= -0.047748 logG= -0.058180 logGD-logG0= -0.010491 tlogG= -0.047422 logG= -0.057913 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215470 ETOT(band)= -0.233651 trlgG= -0.293871 logG= -0.057913 TDE= -0.342583 Density= 0.214757 ETOT(band)= -0.234112 trlgG= -0.294231 logG= -0.058180 TDE= -0.342323 logGD-logG0= -0.010094 tlogG= -0.046413 logG= -0.056507 Density= 0.215217 ETOT(band)= -0.232984 trlgG= -0.291627 logG= -0.056507 TDE= -0.341620 logGD-logG0= -0.010581 tlogG= -0.048146 logG= -0.058728 Density= 0.215426 ETOT(band)= -0.234181 trlgG= -0.295205 logG= -0.058728 TDE= -0.343080 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010534 tlogG= -0.046879 logG= -0.057413 Density= 0.215431 ETOT(band)= -0.233374 trlgG= -0.293070 logG= -0.057413 TDE= -0.342263 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010503 tlogG= -0.047892 logG= -0.058395 Density= 0.215771 ETOT(band)= -0.233798 trlgG= -0.294675 logG= -0.058395 TDE= -0.343054 logGD-logG0= -0.009704 tlogG= -0.047225 logG= -0.056929 Density= 0.214476 ETOT(band)= -0.233574 trlgG= -0.292723 logG= -0.056929 TDE= -0.341927 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.047153 logG= -0.057158 Density= 0.215152 ETOT(band)= -0.233386 trlgG= -0.292644 logG= -0.057158 TDE= -0.341954 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023206 logG= -0.027790 Density= 0.106734 ETOT(band)= -0.116643 trlgG= -0.145466 logG= -0.027790 TDE= -0.170493 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.021563 logG= -0.026428 Density= 0.108517 ETOT(band)= -0.114896 trlgG= -0.142819 logG= -0.026428 TDE= -0.170091 logGD-logG0= -0.004951 tlogG= -0.021874 logG= -0.026825 Density= 0.108326 ETOT(band)= -0.115263 trlgG= -0.143500 logG= -0.026825 TDE= -0.170280 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004784 tlogG= -0.020988 logG= -0.025772 Density= 0.108713 ETOT(band)= -0.114308 trlgG= -0.141662 logG= -0.025772 TDE= -0.169687 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021818 logG= -0.026848 Density= 0.107789 ETOT(band)= -0.115554 trlgG= -0.143563 logG= -0.026848 TDE= -0.170054 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.021695 logG= -0.026666 logGD-logG0= -0.009937 tlogG= -0.043389 logG= -0.053326 Density= 0.216281 ETOT(band)= -0.230510 trlgG= -0.286480 logG= -0.053326 TDE= -0.340181 Density= 0.107933 ETOT(band)= -0.115361 trlgG= -0.143253 logG= -0.026666 TDE= -0.169998 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005035 tlogG= -0.023957 logG= -0.028993 Density= 0.214339 ETOT(band)= -0.234141 trlgG= -0.293920 logG= -0.028993 TDE= -0.171086 logGD-logG0= -0.005077 tlogG= -0.022439 logG= -0.027515 Density= 0.216374 ETOT(band)= -0.231326 trlgG= -0.288604 logG= -0.027515 TDE= -0.170589 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023415 logG= -0.028580 Density= 0.216202 ETOT(band)= -0.232697 trlgG= -0.292206 logG= -0.028580 TDE= -0.171211 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023882 logG= -0.028758 Density= 0.213785 ETOT(band)= -0.234057 trlgG= -0.293013 logG= -0.028758 TDE= -0.170816 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.022968 logG= -0.028106 Density= 0.216229 ETOT(band)= -0.232124 trlgG= -0.290590 logG= -0.028106 TDE= -0.170924 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023371 logG= -0.027980 Density= 0.214183 ETOT(band)= -0.233419 trlgG= -0.292343 logG= -0.027980 TDE= -0.170931 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023973 logG= -0.028508 Density= 0.212804 ETOT(band)= -0.234322 trlgG= -0.293497 logG= -0.028508 TDE= -0.170854 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023354 logG= -0.028748 Density= 0.215108 ETOT(band)= -0.233397 trlgG= -0.292720 logG= -0.028748 TDE= -0.170986 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005619 logG= -0.006846 Density= 0.080838 ETOT(band)= -0.086984 trlgG= -0.108609 logG= -0.006846 TDE= -0.042676 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001419 tlogG= -0.007966 logG= -0.009385 Density= 0.070865 ETOT(band)= -0.077967 trlgG= -0.097456 logG= -0.009385 TDE= -0.056970 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006995 logGD-logG0= -0.001262 tlogG= -0.005856 logG= -0.007118 Density= 0.080636 ETOT(band)= -0.087414 trlgG= -0.109613 logG= -0.006995 TDE= -0.042752 Density= 0.080649 ETOT(band)= -0.087629 trlgG= -0.110168 logG= -0.007118 TDE= -0.042818 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007206 Density= 0.080833 ETOT(band)= -0.087663 trlgG= -0.110365 logG= -0.007206 TDE= -0.042872 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005984 logG= -0.007249 Density= 0.081062 ETOT(band)= -0.087565 trlgG= -0.110417 logG= -0.007249 TDE= -0.042902 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005181 tlogG= -0.024002 logG= -0.029183 Density= 0.215689 ETOT(band)= -0.233898 trlgG= -0.294829 logG= -0.029183 TDE= -0.171601 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023800 logG= -0.029015 Density= 0.215336 ETOT(band)= -0.233806 trlgG= -0.294174 logG= -0.029015 TDE= -0.171448 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023482 logG= -0.028692 Density= 0.215216 ETOT(band)= -0.233371 trlgG= -0.292911 logG= -0.028692 TDE= -0.171191 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004446 tlogG= -0.023587 logG= -0.028033 Density= 0.212614 ETOT(band)= -0.234044 trlgG= -0.292749 logG= -0.028033 TDE= -0.170718 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001176 tlogG= -0.005171 logG= -0.006347 Density= 0.062541 ETOT(band)= -0.067558 trlgG= -0.084209 logG= -0.006347 TDE= -0.042365 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005145 tlogG= -0.024000 logG= -0.029145 Density= 0.216360 ETOT(band)= -0.233378 trlgG= -0.294350 logG= -0.029145 TDE= -0.171618 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.006873 logG= -0.008441 Density= 0.040850 ETOT(band)= -0.042680 trlgG= -0.052797 logG= -0.008441 TDE= -0.056470 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004561 tlogG= -0.023890 logG= -0.028451 Density= 0.213278 ETOT(band)= -0.233911 trlgG= -0.292502 logG= -0.028451 TDE= -0.170806 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.024006 logG= -0.028736 Density= 0.321565 ETOT(band)= -0.351177 trlgG= -0.441349 logG= -0.028736 TDE= -0.171248 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071497 ETOT(band)= -0.077363 trlgG= -0.096157 logG= -0.009146 TDE= -0.056745 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024123 logG= -0.029398 logGD-logG0= -0.005033 tlogG= -0.023845 logG= -0.028878 Density= 0.215498 ETOT(band)= -0.233801 trlgG= -0.294279 logG= -0.028878 TDE= -0.171136 Density= 0.215722 ETOT(band)= -0.234054 trlgG= -0.295245 logG= -0.029398 TDE= -0.171634 logGD-logG0= -0.004925 tlogG= -0.022905 logG= -0.027831 Density= 0.214797 ETOT(band)= -0.232445 trlgG= -0.289694 logG= -0.027831 TDE= -0.170454 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024163 logG= -0.029164 Density= 0.322442 ETOT(band)= -0.351287 trlgG= -0.442027 logG= -0.029164 TDE= -0.171254 logGD-logG0= -0.010320 tlogG= -0.047787 logG= -0.058107 Density= 0.324357 ETOT(band)= -0.349973 trlgG= -0.441024 logG= -0.058107 TDE= -0.343076 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005207 tlogG= -0.024084 logG= -0.029291 logGD-logG0= -0.010366 tlogG= -0.047236 logG= -0.057602 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324138 ETOT(band)= -0.349607 trlgG= -0.439677 logG= -0.057602 TDE= -0.342684 Density= 0.323065 ETOT(band)= -0.351258 trlgG= -0.442677 logG= -0.029291 TDE= -0.171447 logGD-logG0= -0.005138 tlogG= -0.023957 logG= -0.029095 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216394 ETOT(band)= -0.233274 trlgG= -0.294118 logG= -0.029095 TDE= -0.171591 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045629 logG= -0.055721 Density= 0.324049 ETOT(band)= -0.348008 trlgG= -0.434971 logG= -0.055721 TDE= -0.341502 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004641 tlogG= -0.023368 logG= -0.028009 Density= 0.321635 ETOT(band)= -0.350129 trlgG= -0.438772 logG= -0.028009 TDE= -0.170923 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010364 tlogG= -0.046415 logG= -0.056779 Density= 0.324001 ETOT(band)= -0.348951 trlgG= -0.437591 logG= -0.056779 TDE= -0.342126 logGD-logG0= -0.005158 tlogG= -0.023762 logG= -0.028921 logGD-logG0= -0.004975 tlogG= -0.024157 logG= -0.029133 Density= 0.214741 ETOT(band)= -0.234212 trlgG= -0.294534 logG= -0.029133 TDE= -0.171259 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216283 ETOT(band)= -0.233076 trlgG= -0.293413 logG= -0.028921 TDE= -0.171450 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023899 logG= -0.029222 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215649 ETOT(band)= -0.233801 trlgG= -0.294557 logG= -0.029222 TDE= -0.171457 logGD-logG0= -0.010605 tlogG= -0.048041 logG= -0.058646 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323251 ETOT(band)= -0.351049 trlgG= -0.442373 logG= -0.058646 TDE= -0.343070 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004987 tlogG= -0.023244 logG= -0.028232 Density= 0.321702 ETOT(band)= -0.350635 trlgG= -0.439624 logG= -0.028232 TDE= -0.170877 logGD-logG0= -0.004740 tlogG= -0.023245 logG= -0.027985 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213496 ETOT(band)= -0.233663 trlgG= -0.292233 logG= -0.027985 TDE= -0.170768 logGD-logG0= -0.004697 tlogG= -0.024007 logG= -0.028704 Density= 0.214119 ETOT(band)= -0.234133 trlgG= -0.294137 logG= -0.028704 TDE= -0.171253 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006502 Density= 0.081561 ETOT(band)= -0.085701 trlgG= -0.106208 logG= -0.006502 TDE= -0.042467 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004258 tlogG= -0.024132 logG= -0.028390 Density= 0.212166 ETOT(band)= -0.234427 trlgG= -0.293698 logG= -0.028390 TDE= -0.171001 logGD-logG0= -0.004792 tlogG= -0.023837 logG= -0.028629 Density= 0.213570 ETOT(band)= -0.234196 trlgG= -0.293750 logG= -0.028629 TDE= -0.171072 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023194 logG= -0.028322 Density= 0.214868 ETOT(band)= -0.232999 trlgG= -0.291226 logG= -0.028322 TDE= -0.170642 logGD-logG0= -0.005308 tlogG= -0.023958 logG= -0.029266 Density= 0.323666 ETOT(band)= -0.350720 trlgG= -0.442116 logG= -0.029266 TDE= -0.171505 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.023685 logG= -0.029056 logGD-logG0= -0.008873 tlogG= -0.048097 logG= -0.056970 Density= 0.425525 ETOT(band)= -0.468443 trlgG= -0.586481 logG= -0.056970 TDE= -0.341825 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215410 ETOT(band)= -0.233654 trlgG= -0.293860 logG= -0.029056 TDE= -0.171280 logGD-logG0= -0.009555 tlogG= -0.047841 logG= -0.057396 Density= 0.428034 ETOT(band)= -0.468250 trlgG= -0.587861 logG= -0.057396 TDE= -0.342312 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009598 tlogG= -0.046605 logG= -0.056204 Density= 0.322707 ETOT(band)= -0.349080 trlgG= -0.436409 logG= -0.056204 TDE= -0.341655 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009363 tlogG= -0.046714 logG= -0.056077 Density= 0.427888 ETOT(band)= -0.466225 trlgG= -0.581860 logG= -0.056077 TDE= -0.341265 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010227 tlogG= -0.047958 logG= -0.058185 Density= 0.429203 ETOT(band)= -0.468320 trlgG= -0.588277 logG= -0.058185 TDE= -0.342199 logGD-logG0= -0.009418 tlogG= -0.046608 logG= -0.056026 Density= 0.428094 ETOT(band)= -0.466946 trlgG= -0.584466 logG= -0.056026 TDE= -0.341681 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010402 tlogG= -0.048071 logG= -0.058474 logGD-logG0= -0.010169 tlogG= -0.047669 logG= -0.057838 Density= 0.430145 ETOT(band)= -0.468190 trlgG= -0.589070 logG= -0.058474 TDE= -0.342700 Density= 0.428287 ETOT(band)= -0.468232 trlgG= -0.587193 logG= -0.057838 TDE= -0.341953 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047650 logG= -0.057216 logGD-logG0= -0.010672 tlogG= -0.047695 logG= -0.058366 Density= 0.426665 ETOT(band)= -0.468467 trlgG= -0.586998 logG= -0.057216 TDE= -0.341844 logGD-logG0= -0.004866 tlogG= -0.021300 logG= -0.026166 Density= 0.162653 ETOT(band)= -0.173015 trlgG= -0.215916 logG= -0.026166 TDE= -0.169903 Density= 0.431096 ETOT(band)= -0.467552 trlgG= -0.588712 logG= -0.058366 TDE= -0.342823 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010571 tlogG= -0.047729 logG= -0.058300 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430754 ETOT(band)= -0.467611 trlgG= -0.588354 logG= -0.058300 TDE= -0.342716 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.048222 logG= -0.058414 Density= 0.430038 ETOT(band)= -0.468360 trlgG= -0.589398 logG= -0.058414 TDE= -0.342574 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009731 tlogG= -0.047854 logG= -0.057585 Density= 0.429135 ETOT(band)= -0.468023 trlgG= -0.587831 logG= -0.057585 TDE= -0.342298 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.046401 logG= -0.056248 Density= 0.429530 ETOT(band)= -0.465649 trlgG= -0.581530 logG= -0.056248 TDE= -0.341376 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009519 tlogG= -0.047770 logG= -0.057289 Density= 0.427169 ETOT(band)= -0.468015 trlgG= -0.585848 logG= -0.057289 TDE= -0.341545 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007117 logG= -0.008796 Density= 0.072232 ETOT(band)= -0.076493 trlgG= -0.094841 logG= -0.008796 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010231 tlogG= -0.046931 logG= -0.057162 Density= 0.429880 ETOT(band)= -0.466564 trlgG= -0.584230 logG= -0.057162 TDE= -0.341667 logGD-logG0= -0.004906 tlogG= -0.022292 logG= -0.027198 Density= 0.214259 ETOT(band)= -0.232488 trlgG= -0.289449 logG= -0.027198 TDE= -0.170190 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010058 tlogG= -0.048150 logG= -0.058208 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429300 ETOT(band)= -0.468358 trlgG= -0.588630 logG= -0.058208 TDE= -0.342358 logGD-logG0= -0.010596 tlogG= -0.048020 logG= -0.058616 Density= 0.431338 ETOT(band)= -0.467835 trlgG= -0.589705 logG= -0.058616 TDE= -0.343088 logGD-logG0= -0.009912 tlogG= -0.047560 logG= -0.057472 Density= 0.428605 ETOT(band)= -0.467576 trlgG= -0.586230 logG= -0.057472 TDE= -0.341997 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.022474 logG= -0.027348 Density= 0.215023 ETOT(band)= -0.231708 trlgG= -0.288049 logG= -0.027348 TDE= -0.170203 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.022327 logG= -0.027120 logGD-logG0= -0.010630 tlogG= -0.047268 logG= -0.057899 Density= 0.430483 ETOT(band)= -0.467187 trlgG= -0.586882 logG= -0.057899 TDE= -0.342332 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322875 ETOT(band)= -0.348048 trlgG= -0.434019 logG= -0.027120 TDE= -0.170271 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001214 tlogG= -0.005468 logG= -0.006682 Density= 0.081202 ETOT(band)= -0.086370 trlgG= -0.107369 logG= -0.006682 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010155 tlogG= -0.047570 logG= -0.057726 Density= 0.430010 ETOT(band)= -0.467210 trlgG= -0.586160 logG= -0.057726 TDE= -0.342112 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023741 logG= -0.028131 Density= 0.213083 ETOT(band)= -0.233636 trlgG= -0.291773 logG= -0.028131 TDE= -0.170803 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009884 tlogG= -0.044622 logG= -0.054505 Density= 0.324292 ETOT(band)= -0.346737 trlgG= -0.431957 logG= -0.054505 TDE= -0.340823 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021879 logG= -0.026917 Density= 0.216632 ETOT(band)= -0.230326 trlgG= -0.286484 logG= -0.026917 TDE= -0.170249 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004949 tlogG= -0.021350 logG= -0.026299 Density= 0.217026 ETOT(band)= -0.229217 trlgG= -0.284278 logG= -0.026299 TDE= -0.169916 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004752 tlogG= -0.022327 logG= -0.027079 Density= 0.215029 ETOT(band)= -0.231998 trlgG= -0.289094 logG= -0.027079 TDE= -0.170277 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004907 tlogG= -0.021205 logG= -0.026112 Density= 0.216350 ETOT(band)= -0.230080 trlgG= -0.285537 logG= -0.026112 TDE= -0.169823 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009732 tlogG= -0.044625 logG= -0.054357 Density= 0.431613 ETOT(band)= -0.462168 trlgG= -0.574741 logG= -0.054357 TDE= -0.340461 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.882212249263 eV TrLogG= -407.278090700191 eV Ratio to renormalize= 1.000027461244 rho-rho_expected=-0.000604130779 nargs= 1 argi=dmft2.def 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 21) Finished k-point number 44 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964673559779605 0.940459178826606 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002307 tlogG= -0.011883 logG= -0.014190 Density= 0.053561 ETOT(band)= -0.058411 trlgG= -0.073263 logG= -0.014190 TDE= -0.085578 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004508 tlogG= -0.024046 logG= -0.028553 Density= 0.106385 ETOT(band)= -0.117175 trlgG= -0.146794 logG= -0.028553 TDE= -0.170885 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023684 logG= -0.028933 Density= 0.107230 ETOT(band)= -0.117021 trlgG= -0.146842 logG= -0.028933 TDE= -0.170972 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005059 tlogG= -0.023215 logG= -0.028274 Density= 0.108195 ETOT(band)= -0.116219 trlgG= -0.145860 logG= -0.028274 TDE= -0.171126 logGD-logG0= -0.004643 tlogG= -0.023668 logG= -0.028311 Density= 0.106595 ETOT(band)= -0.116980 trlgG= -0.146378 logG= -0.028311 TDE= -0.170816 logGD-logG0= -0.005074 tlogG= -0.022874 logG= -0.027949 Density= 0.107616 ETOT(band)= -0.116315 trlgG= -0.145334 logG= -0.027949 TDE= -0.170639 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002314 tlogG= -0.011448 logG= -0.013761 Density= 0.053736 ETOT(band)= -0.058080 trlgG= -0.072498 logG= -0.013761 TDE= -0.085328 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 logGD-logG0= -0.004703 tlogG= -0.022852 logG= -0.027555 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 Density= 0.107296 ETOT(band)= -0.116256 trlgG= -0.145049 logG= -0.027555 TDE= -0.170589 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.012082 logG= -0.014484 logGD-logG0= -0.002584 tlogG= -0.012032 logG= -0.014616 Density= 0.053763 ETOT(band)= -0.058543 trlgG= -0.073682 logG= -0.014616 TDE= -0.085671 Density= 0.053584 ETOT(band)= -0.058555 trlgG= -0.073625 logG= -0.014484 TDE= -0.085657 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.022168 logG= -0.027085 Density= 0.108360 ETOT(band)= -0.115446 trlgG= -0.143948 logG= -0.027085 TDE= -0.170485 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.023642 logG= -0.028604 Density= 0.106976 ETOT(band)= -0.116951 trlgG= -0.146292 logG= -0.028604 TDE= -0.170625 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.022733 logG= -0.027727 logGD-logG0= -0.001392 tlogG= -0.008044 logG= -0.009437 Density= 0.035312 ETOT(band)= -0.039084 trlgG= -0.048971 logG= -0.009437 TDE= -0.057008 Density= 0.108249 ETOT(band)= -0.115889 trlgG= -0.144993 logG= -0.027727 TDE= -0.170833 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010841 logG= -0.013284 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009285 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048606 logG= -0.009285 TDE= -0.056885 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071538 logG= -0.013284 TDE= -0.085007 logGD-logG0= -0.004671 tlogG= -0.023687 logG= -0.028358 Density= 0.106974 ETOT(band)= -0.116862 trlgG= -0.146482 logG= -0.028358 TDE= -0.171061 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004844 tlogG= -0.024069 logG= -0.028913 Density= 0.107055 ETOT(band)= -0.117115 trlgG= -0.147159 logG= -0.028913 TDE= -0.171222 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002540 tlogG= -0.011984 logG= -0.014524 logGD-logG0= -0.004867 tlogG= -0.023892 logG= -0.028759 Density= 0.054138 ETOT(band)= -0.058304 trlgG= -0.073544 logG= -0.014524 TDE= -0.085811 Density= 0.106755 ETOT(band)= -0.117134 trlgG= -0.146905 logG= -0.028759 TDE= -0.170973 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023195 logG= -0.028461 Density= 0.107683 ETOT(band)= -0.116563 trlgG= -0.146144 logG= -0.028461 TDE= -0.170970 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002609 tlogG= -0.011988 logG= -0.014597 Density= 0.053983 ETOT(band)= -0.058425 trlgG= -0.073666 logG= -0.014597 TDE= -0.085783 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004311 tlogG= -0.023975 logG= -0.028285 Density= 0.106166 ETOT(band)= -0.117143 trlgG= -0.146672 logG= -0.028285 TDE= -0.170923 logGD-logG0= -0.004585 tlogG= -0.023205 logG= -0.027790 Density= 0.106734 ETOT(band)= -0.116642 trlgG= -0.145464 logG= -0.027790 TDE= -0.170492 logGD-logG0= -0.005100 tlogG= -0.023950 logG= -0.029050 logGD-logG0= -0.004827 tlogG= -0.022849 logG= -0.027676 Density= 0.107747 ETOT(band)= -0.116110 trlgG= -0.144921 logG= -0.027676 TDE= -0.170565 Density= 0.108230 ETOT(band)= -0.116632 trlgG= -0.147093 logG= -0.029050 TDE= -0.171601 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.023871 logG= -0.028958 Density= 0.108251 ETOT(band)= -0.116568 trlgG= -0.146944 logG= -0.028958 TDE= -0.171554 logGD-logG0= -0.005283 tlogG= -0.024134 logG= -0.029417 Density= 0.107811 ETOT(band)= -0.117082 trlgG= -0.147699 logG= -0.029417 TDE= -0.171632 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005242 tlogG= -0.024071 logG= -0.029313 logGD-logG0= -0.004793 tlogG= -0.023688 logG= -0.028481 Density= 0.107378 ETOT(band)= -0.116742 trlgG= -0.146390 logG= -0.028481 TDE= -0.171045 logGD-logG0= -0.005275 tlogG= -0.023901 logG= -0.029177 Density= 0.107752 ETOT(band)= -0.116952 trlgG= -0.147295 logG= -0.029177 TDE= -0.171439 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107642 ETOT(band)= -0.117087 trlgG= -0.147510 logG= -0.029313 TDE= -0.171464 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004975 tlogG= -0.022408 logG= -0.027383 logGD-logG0= -0.005193 tlogG= -0.023967 logG= -0.029159 Density= 0.107634 ETOT(band)= -0.115982 trlgG= -0.144437 logG= -0.027383 TDE= -0.170317 Density= 0.107443 ETOT(band)= -0.117073 trlgG= -0.147237 logG= -0.029159 TDE= -0.171246 logGD-logG0= -0.004671 tlogG= -0.022989 logG= -0.027661 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023605 logG= -0.028695 Density= 0.108205 ETOT(band)= -0.116442 trlgG= -0.146523 logG= -0.028695 TDE= -0.171374 logGD-logG0= -0.004697 tlogG= -0.023500 logG= -0.028197 Density= 0.106870 ETOT(band)= -0.116510 trlgG= -0.145201 logG= -0.027661 TDE= -0.170425 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.024092 logG= -0.029049 Density= 0.107379 ETOT(band)= -0.117052 trlgG= -0.147132 logG= -0.029049 TDE= -0.171219 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106771 ETOT(band)= -0.116833 trlgG= -0.145948 logG= -0.028197 TDE= -0.170587 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024087 logG= -0.029338 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107888 ETOT(band)= -0.116994 trlgG= -0.147573 logG= -0.029338 TDE= -0.171624 logGD-logG0= -0.005237 tlogG= -0.023870 logG= -0.029107 Density= 0.107916 ETOT(band)= -0.116820 trlgG= -0.147188 logG= -0.029107 TDE= -0.171483 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.048244 logG= -0.057954 Density= 0.214400 ETOT(band)= -0.234187 trlgG= -0.294392 logG= -0.057954 TDE= -0.342534 logGD-logG0= -0.005274 tlogG= -0.023580 logG= -0.028854 Density= 0.107800 ETOT(band)= -0.116724 trlgG= -0.146773 logG= -0.028854 TDE= -0.171264 logGD-logG0= -0.005226 tlogG= -0.024059 logG= -0.029284 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107947 ETOT(band)= -0.116926 trlgG= -0.147485 logG= -0.029284 TDE= -0.171618 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009034 tlogG= -0.047632 logG= -0.056666 logGD-logG0= -0.009676 tlogG= -0.045590 logG= -0.055266 Density= 0.212920 ETOT(band)= -0.234084 trlgG= -0.292890 logG= -0.056666 TDE= -0.341588 Density= 0.214361 ETOT(band)= -0.232696 trlgG= -0.290177 logG= -0.055266 TDE= -0.340988 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009856 tlogG= -0.047901 logG= -0.057757 Density= 0.213966 ETOT(band)= -0.234227 trlgG= -0.294081 logG= -0.057757 TDE= -0.342206 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010432 tlogG= -0.047747 logG= -0.058179 Density= 0.214756 ETOT(band)= -0.234110 trlgG= -0.294228 logG= -0.058179 TDE= -0.342321 logGD-logG0= -0.009396 tlogG= -0.045760 logG= -0.055156 Density= 0.215018 ETOT(band)= -0.232344 trlgG= -0.289998 logG= -0.055156 TDE= -0.341243 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047154 logG= -0.056892 Density= 0.213774 ETOT(band)= -0.233827 trlgG= -0.292609 logG= -0.056892 TDE= -0.341504 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009781 tlogG= -0.045649 logG= -0.055430 logGD-logG0= -0.009349 tlogG= -0.047448 logG= -0.056796 Density= 0.215150 ETOT(band)= -0.232420 trlgG= -0.289989 logG= -0.055430 TDE= -0.341026 logGD-logG0= -0.010236 tlogG= -0.047980 logG= -0.058215 Density= 0.214310 ETOT(band)= -0.233611 trlgG= -0.292946 logG= -0.056796 TDE= -0.342201 Density= 0.215074 ETOT(band)= -0.234018 trlgG= -0.294321 logG= -0.058215 TDE= -0.342535 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010468 tlogG= -0.048015 logG= -0.058484 logGD-logG0= -0.010296 tlogG= -0.047787 logG= -0.058083 Density= 0.214655 ETOT(band)= -0.234104 trlgG= -0.294059 logG= -0.058083 TDE= -0.342197 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001677 tlogG= -0.007304 logG= -0.008982 Density= 0.035844 ETOT(band)= -0.038582 trlgG= -0.047908 logG= -0.008982 TDE= -0.056663 Density= 0.215108 ETOT(band)= -0.234154 trlgG= -0.294765 logG= -0.058484 TDE= -0.342727 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010097 tlogG= -0.047660 logG= -0.057757 Density= 0.213947 ETOT(band)= -0.234214 trlgG= -0.293834 logG= -0.057757 TDE= -0.341948 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009979 tlogG= -0.048029 logG= -0.058009 logGD-logG0= -0.010324 tlogG= -0.047308 logG= -0.057633 Density= 0.214530 ETOT(band)= -0.234134 trlgG= -0.294141 logG= -0.058009 TDE= -0.342292 logGD-logG0= -0.001611 tlogG= -0.006991 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047246 logG= -0.008602 TDE= -0.056555 logGD-logG0= -0.002383 tlogG= -0.010425 logG= -0.012809 Density= 0.054380 ETOT(band)= -0.057080 trlgG= -0.070690 logG= -0.012809 TDE= -0.084791 Density= 0.214260 ETOT(band)= -0.234005 trlgG= -0.293310 logG= -0.057633 TDE= -0.341703 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010582 tlogG= -0.048146 logG= -0.058727 Density= 0.215425 ETOT(band)= -0.234179 trlgG= -0.295202 logG= -0.058727 TDE= -0.343077 logGD-logG0= -0.010491 tlogG= -0.047421 logG= -0.057912 Density= 0.215469 ETOT(band)= -0.233649 trlgG= -0.293868 logG= -0.057912 TDE= -0.342580 logGD-logG0= -0.010504 tlogG= -0.047891 logG= -0.058395 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215770 ETOT(band)= -0.233796 trlgG= -0.294672 logG= -0.058395 TDE= -0.343051 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.047225 logG= -0.056929 Density= 0.214476 ETOT(band)= -0.233572 trlgG= -0.292720 logG= -0.056929 TDE= -0.341924 logGD-logG0= -0.010534 tlogG= -0.046878 logG= -0.057412 Density= 0.215431 ETOT(band)= -0.233372 trlgG= -0.293067 logG= -0.057412 TDE= -0.342261 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.047931 logG= -0.057395 Density= 0.213268 ETOT(band)= -0.234292 trlgG= -0.293535 logG= -0.057395 TDE= -0.341676 logGD-logG0= -0.004284 tlogG= -0.024052 logG= -0.028335 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106114 ETOT(band)= -0.117187 trlgG= -0.146786 logG= -0.028335 TDE= -0.170961 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.047152 logG= -0.057158 Density= 0.215151 ETOT(band)= -0.233384 trlgG= -0.292641 logG= -0.057158 TDE= -0.341951 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010387 tlogG= -0.048082 logG= -0.058469 Density= 0.215071 ETOT(band)= -0.234163 trlgG= -0.294738 logG= -0.058469 TDE= -0.342697 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004951 tlogG= -0.021874 logG= -0.026825 Density= 0.108325 ETOT(band)= -0.115262 trlgG= -0.143499 logG= -0.026825 TDE= -0.170278 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004865 tlogG= -0.021563 logG= -0.026428 Density= 0.108516 ETOT(band)= -0.114895 trlgG= -0.142818 logG= -0.026428 TDE= -0.170089 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004784 tlogG= -0.020987 logG= -0.025772 Density= 0.108713 ETOT(band)= -0.114307 trlgG= -0.141660 logG= -0.025772 TDE= -0.169685 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021817 logG= -0.026848 Density= 0.107789 ETOT(band)= -0.115553 trlgG= -0.143561 logG= -0.026848 TDE= -0.170053 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010449 tlogG= -0.047942 logG= -0.058391 Density= 0.215899 ETOT(band)= -0.233723 trlgG= -0.294669 logG= -0.058391 TDE= -0.343116 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009937 tlogG= -0.043388 logG= -0.053326 Density= 0.216280 ETOT(band)= -0.230508 trlgG= -0.286478 logG= -0.053326 TDE= -0.340179 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010095 tlogG= -0.046412 logG= -0.056506 Density= 0.215216 ETOT(band)= -0.232982 trlgG= -0.291624 logG= -0.056506 TDE= -0.341617 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004971 tlogG= -0.021694 logG= -0.026665 Density= 0.107932 ETOT(band)= -0.115360 trlgG= -0.143251 logG= -0.026665 TDE= -0.169996 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005067 tlogG= -0.022982 logG= -0.028049 Density= 0.108136 ETOT(band)= -0.116126 trlgG= -0.145504 logG= -0.028049 TDE= -0.170967 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.023430 logG= -0.028538 Density= 0.108132 ETOT(band)= -0.116396 trlgG= -0.146279 logG= -0.028538 TDE= -0.171250 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023764 logG= -0.028876 Density= 0.108179 ETOT(band)= -0.116558 trlgG= -0.146815 logG= -0.028876 TDE= -0.171471 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.022456 logG= -0.027455 Density= 0.108204 ETOT(band)= -0.115753 trlgG= -0.144557 logG= -0.027455 TDE= -0.170646 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009576 tlogG= -0.047160 logG= -0.056736 Density= 0.213764 ETOT(band)= -0.233782 trlgG= -0.292818 logG= -0.056736 TDE= -0.341863 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047529 logG= -0.058053 Density= 0.215702 ETOT(band)= -0.233607 trlgG= -0.294107 logG= -0.058053 TDE= -0.342795 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087413 trlgG= -0.109612 logG= -0.006995 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005619 logG= -0.006846 Density= 0.080838 ETOT(band)= -0.086983 trlgG= -0.108608 logG= -0.006846 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023957 logG= -0.028992 Density= 0.214338 ETOT(band)= -0.234139 trlgG= -0.293917 logG= -0.028992 TDE= -0.171085 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023972 logG= -0.028508 Density= 0.212803 ETOT(band)= -0.234320 trlgG= -0.293494 logG= -0.028508 TDE= -0.170853 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023415 logG= -0.028580 Density= 0.216201 ETOT(band)= -0.232695 trlgG= -0.292203 logG= -0.028580 TDE= -0.171210 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023244 logG= -0.027985 Density= 0.213495 ETOT(band)= -0.233661 trlgG= -0.292230 logG= -0.027985 TDE= -0.170766 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023194 logG= -0.028322 Density= 0.214867 ETOT(band)= -0.232997 trlgG= -0.291223 logG= -0.028322 TDE= -0.170640 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.024000 logG= -0.029145 Density= 0.216359 ETOT(band)= -0.233376 trlgG= -0.294347 logG= -0.029145 TDE= -0.171617 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023845 logG= -0.028878 Density= 0.215497 ETOT(band)= -0.233799 trlgG= -0.294276 logG= -0.028878 TDE= -0.171135 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009599 tlogG= -0.046604 logG= -0.056203 Density= 0.322706 ETOT(band)= -0.349077 trlgG= -0.436405 logG= -0.056203 TDE= -0.341652 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004988 tlogG= -0.023244 logG= -0.028231 Density= 0.321701 ETOT(band)= -0.350632 trlgG= -0.439619 logG= -0.028231 TDE= -0.170876 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010228 tlogG= -0.047957 logG= -0.058184 Density= 0.429201 ETOT(band)= -0.468316 trlgG= -0.588271 logG= -0.058184 TDE= -0.342196 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007206 Density= 0.080832 ETOT(band)= -0.087662 trlgG= -0.110364 logG= -0.007206 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047559 logG= -0.057471 Density= 0.428604 ETOT(band)= -0.467572 trlgG= -0.586224 logG= -0.057471 TDE= -0.341994 logGD-logG0= -0.010596 tlogG= -0.048019 logG= -0.058615 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431336 ETOT(band)= -0.467831 trlgG= -0.589699 logG= -0.058615 TDE= -0.343085 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005855 logG= -0.007118 Density= 0.080648 ETOT(band)= -0.087628 trlgG= -0.110167 logG= -0.007118 TDE= -0.042817 logGD-logG0= -0.010156 tlogG= -0.047570 logG= -0.057725 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430009 ETOT(band)= -0.467206 trlgG= -0.586154 logG= -0.057725 TDE= -0.342109 logGD-logG0= -0.005077 tlogG= -0.022438 logG= -0.027515 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216373 ETOT(band)= -0.231324 trlgG= -0.288601 logG= -0.027515 TDE= -0.170588 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023882 logG= -0.028757 Density= 0.213784 ETOT(band)= -0.234055 trlgG= -0.293010 logG= -0.028757 TDE= -0.170815 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001214 tlogG= -0.005468 logG= -0.006682 logGD-logG0= -0.005138 tlogG= -0.022967 logG= -0.028105 Density= 0.216228 ETOT(band)= -0.232122 trlgG= -0.290587 logG= -0.028105 TDE= -0.170922 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081202 ETOT(band)= -0.086369 trlgG= -0.107368 logG= -0.006682 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004697 tlogG= -0.024007 logG= -0.028704 Density= 0.214119 ETOT(band)= -0.234130 trlgG= -0.294134 logG= -0.028704 TDE= -0.171252 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001265 tlogG= -0.005984 logG= -0.007249 Density= 0.081062 ETOT(band)= -0.087564 trlgG= -0.110416 logG= -0.007249 TDE= -0.042901 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023371 logG= -0.027980 logGD-logG0= -0.001419 tlogG= -0.007966 logG= -0.009384 Density= 0.214182 ETOT(band)= -0.233417 trlgG= -0.292340 logG= -0.027980 TDE= -0.170930 Density= 0.070865 ETOT(band)= -0.077966 trlgG= -0.097455 logG= -0.009384 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.024006 logG= -0.028736 Density= 0.321564 ETOT(band)= -0.351174 trlgG= -0.441345 logG= -0.028736 TDE= -0.171247 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023837 logG= -0.028629 Density= 0.213570 ETOT(band)= -0.234194 trlgG= -0.293747 logG= -0.028629 TDE= -0.171070 logGD-logG0= -0.005210 tlogG= -0.023482 logG= -0.028692 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215215 ETOT(band)= -0.233369 trlgG= -0.292908 logG= -0.028692 TDE= -0.171190 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.024001 logG= -0.029183 Density= 0.215688 ETOT(band)= -0.233896 trlgG= -0.294826 logG= -0.029183 TDE= -0.171599 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023799 logG= -0.029015 Density= 0.215335 ETOT(band)= -0.233803 trlgG= -0.294172 logG= -0.029015 TDE= -0.171447 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004446 tlogG= -0.023587 logG= -0.028033 logGD-logG0= -0.004391 tlogG= -0.023740 logG= -0.028131 Density= 0.213082 ETOT(band)= -0.233633 trlgG= -0.291770 logG= -0.028131 TDE= -0.170801 Density= 0.212614 ETOT(band)= -0.234042 trlgG= -0.292746 logG= -0.028033 TDE= -0.170716 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022326 logG= -0.027079 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215029 ETOT(band)= -0.231996 trlgG= -0.289091 logG= -0.027079 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001568 tlogG= -0.006873 logG= -0.008441 Density= 0.040849 ETOT(band)= -0.042680 trlgG= -0.052796 logG= -0.008441 TDE= -0.056469 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001176 tlogG= -0.005171 logG= -0.006347 Density= 0.062540 ETOT(band)= -0.067557 trlgG= -0.084208 logG= -0.006347 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004561 tlogG= -0.023890 logG= -0.028451 Density= 0.213277 ETOT(band)= -0.233909 trlgG= -0.292499 logG= -0.028451 TDE= -0.170804 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004641 tlogG= -0.023367 logG= -0.028009 Density= 0.321634 ETOT(band)= -0.350126 trlgG= -0.438767 logG= -0.028009 TDE= -0.170922 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022905 logG= -0.027830 Density= 0.214796 ETOT(band)= -0.232443 trlgG= -0.289691 logG= -0.027830 TDE= -0.170453 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071497 ETOT(band)= -0.077362 trlgG= -0.096156 logG= -0.009146 TDE= -0.056745 logGD-logG0= -0.010606 tlogG= -0.048040 logG= -0.058646 Density= 0.323249 ETOT(band)= -0.351046 trlgG= -0.442369 logG= -0.058646 TDE= -0.343067 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024122 logG= -0.029397 Density= 0.215721 ETOT(band)= -0.234052 trlgG= -0.295242 logG= -0.029397 TDE= -0.171632 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.024162 logG= -0.029164 Density= 0.322441 ETOT(band)= -0.351284 trlgG= -0.442022 logG= -0.029164 TDE= -0.171253 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023354 logG= -0.028748 Density= 0.215107 ETOT(band)= -0.233395 trlgG= -0.292717 logG= -0.028748 TDE= -0.170985 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006501 Density= 0.081561 ETOT(band)= -0.085700 trlgG= -0.106207 logG= -0.006501 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009555 tlogG= -0.047840 logG= -0.057395 Density= 0.428032 ETOT(band)= -0.468246 trlgG= -0.587855 logG= -0.057395 TDE= -0.342309 logGD-logG0= -0.005207 tlogG= -0.024084 logG= -0.029290 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323063 ETOT(band)= -0.351255 trlgG= -0.442673 logG= -0.029290 TDE= -0.171446 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.048149 logG= -0.058207 Density= 0.429299 ETOT(band)= -0.468354 trlgG= -0.588624 logG= -0.058207 TDE= -0.342355 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023956 logG= -0.029095 Density= 0.216393 ETOT(band)= -0.233272 trlgG= -0.294115 logG= -0.029095 TDE= -0.171590 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.047668 logG= -0.057838 logGD-logG0= -0.001679 tlogG= -0.007116 logG= -0.008796 Density= 0.072231 ETOT(band)= -0.076492 trlgG= -0.094840 logG= -0.008796 TDE= -0.056630 Density= 0.428286 ETOT(band)= -0.468228 trlgG= -0.587187 logG= -0.057838 TDE= -0.341950 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.022292 logG= -0.027198 Density= 0.214259 ETOT(band)= -0.232486 trlgG= -0.289446 logG= -0.027198 TDE= -0.170188 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004258 tlogG= -0.024132 logG= -0.028389 logGD-logG0= -0.005323 tlogG= -0.023898 logG= -0.029221 logGD-logG0= -0.004976 tlogG= -0.024157 logG= -0.029133 Density= 0.214741 ETOT(band)= -0.234210 trlgG= -0.294531 logG= -0.029133 TDE= -0.171258 logGD-logG0= -0.010192 tlogG= -0.048221 logG= -0.058413 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212166 ETOT(band)= -0.234424 trlgG= -0.293695 logG= -0.028389 TDE= -0.171000 Density= 0.430037 ETOT(band)= -0.468356 trlgG= -0.589392 logG= -0.058413 TDE= -0.342571 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215648 ETOT(band)= -0.233799 trlgG= -0.294554 logG= -0.029221 TDE= -0.171456 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048070 logG= -0.058473 logGD-logG0= -0.010571 tlogG= -0.047728 logG= -0.058300 Density= 0.430752 ETOT(band)= -0.467607 trlgG= -0.588348 logG= -0.058300 TDE= -0.342713 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430143 ETOT(band)= -0.468186 trlgG= -0.589064 logG= -0.058473 TDE= -0.342697 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023762 logG= -0.028920 Density= 0.216282 ETOT(band)= -0.233074 trlgG= -0.293410 logG= -0.028920 TDE= -0.171449 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004874 tlogG= -0.022473 logG= -0.027348 Density= 0.215023 ETOT(band)= -0.231706 trlgG= -0.288046 logG= -0.027348 TDE= -0.170202 logGD-logG0= -0.009731 tlogG= -0.047853 logG= -0.057585 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429133 ETOT(band)= -0.468018 trlgG= -0.587825 logG= -0.057585 TDE= -0.342296 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005371 tlogG= -0.023684 logG= -0.029056 Density= 0.215409 ETOT(band)= -0.233652 trlgG= -0.293857 logG= -0.029056 TDE= -0.171278 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008873 tlogG= -0.048096 logG= -0.056969 Density= 0.425524 ETOT(band)= -0.468439 trlgG= -0.586474 logG= -0.056969 TDE= -0.341822 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009364 tlogG= -0.046713 logG= -0.056077 Density= 0.427887 ETOT(band)= -0.466220 trlgG= -0.581854 logG= -0.056077 TDE= -0.341263 logGD-logG0= -0.004949 tlogG= -0.021349 logG= -0.026298 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.217026 ETOT(band)= -0.229215 trlgG= -0.284275 logG= -0.026298 TDE= -0.169915 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004866 tlogG= -0.021300 logG= -0.026166 Density= 0.162653 ETOT(band)= -0.173014 trlgG= -0.215914 logG= -0.026166 TDE= -0.169902 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010631 tlogG= -0.047267 logG= -0.057898 Density= 0.430481 ETOT(band)= -0.467183 trlgG= -0.586876 logG= -0.057898 TDE= -0.342329 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023958 logG= -0.029266 Density= 0.323665 ETOT(band)= -0.350717 trlgG= -0.442111 logG= -0.029266 TDE= -0.171504 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005038 tlogG= -0.021878 logG= -0.026917 Density= 0.216631 ETOT(band)= -0.230325 trlgG= -0.286481 logG= -0.026917 TDE= -0.170247 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009847 tlogG= -0.046400 logG= -0.056247 Density= 0.429529 ETOT(band)= -0.465645 trlgG= -0.581524 logG= -0.056247 TDE= -0.341373 logGD-logG0= -0.004793 tlogG= -0.022327 logG= -0.027120 Density= 0.322874 ETOT(band)= -0.348045 trlgG= -0.434014 logG= -0.027120 TDE= -0.170269 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009519 tlogG= -0.047769 logG= -0.057288 Density= 0.427168 ETOT(band)= -0.468011 trlgG= -0.585842 logG= -0.057288 TDE= -0.341543 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009565 tlogG= -0.047650 logG= -0.057215 logGD-logG0= -0.009884 tlogG= -0.044621 logG= -0.054505 Density= 0.426663 ETOT(band)= -0.468463 trlgG= -0.586992 logG= -0.057215 TDE= -0.341841 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324291 ETOT(band)= -0.346734 trlgG= -0.431953 logG= -0.054505 TDE= -0.340820 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004907 tlogG= -0.021204 logG= -0.026112 Density= 0.216349 ETOT(band)= -0.230078 trlgG= -0.285534 logG= -0.026112 TDE= -0.169821 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010232 tlogG= -0.046930 logG= -0.057162 Density= 0.429878 ETOT(band)= -0.466559 trlgG= -0.584224 logG= -0.057162 TDE= -0.341664 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010365 tlogG= -0.046414 logG= -0.056779 Density= 0.324000 ETOT(band)= -0.348948 trlgG= -0.437587 logG= -0.056779 TDE= -0.342124 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009732 tlogG= -0.044624 logG= -0.054356 Density= 0.431612 ETOT(band)= -0.462164 trlgG= -0.574735 logG= -0.054356 TDE= -0.340458 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010367 tlogG= -0.047235 logG= -0.057602 Density= 0.324137 ETOT(band)= -0.349604 trlgG= -0.439672 logG= -0.057602 TDE= -0.342681 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010320 tlogG= -0.047786 logG= -0.058106 Density= 0.324356 ETOT(band)= -0.349970 trlgG= -0.441020 logG= -0.058106 TDE= -0.343074 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045628 logG= -0.055721 Density= 0.324048 ETOT(band)= -0.348005 trlgG= -0.434966 logG= -0.055721 TDE= -0.341499 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009418 tlogG= -0.046607 logG= -0.056025 Density= 0.428092 ETOT(band)= -0.466942 trlgG= -0.584460 logG= -0.056025 TDE= -0.341678 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010672 tlogG= -0.047694 logG= -0.058366 Density= 0.431095 ETOT(band)= -0.467548 trlgG= -0.588706 logG= -0.058366 TDE= -0.342820 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.879289553205 eV TrLogG= -407.273433886612 eV Ratio to renormalize= 1.000030807318 rho-rho_expected=-0.000677740112 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 31) Finished k-point number 64 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 7) Finished k-point number 16 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 52) Finished k-point number 105 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964685402054899 0.940467638664822 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002314 tlogG= -0.011448 logG= -0.013761 Density= 0.053736 ETOT(band)= -0.058079 trlgG= -0.072497 logG= -0.013761 TDE= -0.085327 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023683 logG= -0.028933 Density= 0.107229 ETOT(band)= -0.117020 trlgG= -0.146841 logG= -0.028933 TDE= -0.170970 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001392 tlogG= -0.008044 logG= -0.009437 Density= 0.035312 ETOT(band)= -0.039083 trlgG= -0.048970 logG= -0.009437 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.023642 logG= -0.028604 logGD-logG0= -0.004995 tlogG= -0.022733 logG= -0.027727 Density= 0.106976 ETOT(band)= -0.116949 trlgG= -0.146291 logG= -0.028604 TDE= -0.170624 Density= 0.108249 ETOT(band)= -0.115888 trlgG= -0.144991 logG= -0.027727 TDE= -0.170831 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009285 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048606 logG= -0.009285 TDE= -0.056884 logGD-logG0= -0.004867 tlogG= -0.023892 logG= -0.028759 Density= 0.106754 ETOT(band)= -0.117133 trlgG= -0.146904 logG= -0.028759 TDE= -0.170972 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023195 logG= -0.028461 Density= 0.107682 ETOT(band)= -0.116562 trlgG= -0.146142 logG= -0.028461 TDE= -0.170968 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004704 tlogG= -0.022851 logG= -0.027555 Density= 0.107296 ETOT(band)= -0.116255 trlgG= -0.145047 logG= -0.027555 TDE= -0.170587 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023205 logG= -0.027790 Density= 0.106734 ETOT(band)= -0.116640 trlgG= -0.145463 logG= -0.027790 TDE= -0.170490 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002444 tlogG= -0.010840 logG= -0.013284 Density= 0.054063 ETOT(band)= -0.057598 trlgG= -0.071537 logG= -0.013284 TDE= -0.085006 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001677 tlogG= -0.007304 logG= -0.008982 Density= 0.035843 ETOT(band)= -0.038582 trlgG= -0.047907 logG= -0.008982 TDE= -0.056663 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001612 tlogG= -0.006991 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047245 logG= -0.008602 TDE= -0.056555 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002402 tlogG= -0.012082 logG= -0.014484 Density= 0.053583 ETOT(band)= -0.058554 trlgG= -0.073624 logG= -0.014484 TDE= -0.085656 logGD-logG0= -0.002584 tlogG= -0.012032 logG= -0.014616 Density= 0.053762 ETOT(band)= -0.058542 trlgG= -0.073681 logG= -0.014616 TDE= -0.085670 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002307 tlogG= -0.011883 logG= -0.014190 Density= 0.053561 ETOT(band)= -0.058410 trlgG= -0.073262 logG= -0.014190 TDE= -0.085577 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004785 tlogG= -0.020987 logG= -0.025772 Density= 0.108712 ETOT(band)= -0.114306 trlgG= -0.141659 logG= -0.025772 TDE= -0.169684 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002540 tlogG= -0.011984 logG= -0.014524 Density= 0.054138 ETOT(band)= -0.058303 trlgG= -0.073544 logG= -0.014524 TDE= -0.085810 logGD-logG0= -0.005067 tlogG= -0.022981 logG= -0.028048 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023430 logG= -0.028538 Density= 0.108131 ETOT(band)= -0.116395 trlgG= -0.146278 logG= -0.028538 TDE= -0.171248 Density= 0.108135 ETOT(band)= -0.116125 trlgG= -0.145503 logG= -0.028048 TDE= -0.170965 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005031 tlogG= -0.021817 logG= -0.026848 Density= 0.107788 ETOT(band)= -0.115552 trlgG= -0.143560 logG= -0.026848 TDE= -0.170051 logGD-logG0= -0.005243 tlogG= -0.024070 logG= -0.029313 Density= 0.107642 ETOT(band)= -0.117085 trlgG= -0.147509 logG= -0.029313 TDE= -0.171462 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004284 tlogG= -0.024051 logG= -0.028335 logGD-logG0= -0.004999 tlogG= -0.022456 logG= -0.027455 logGD-logG0= -0.002609 tlogG= -0.011988 logG= -0.014597 logGD-logG0= -0.004311 tlogG= -0.023974 logG= -0.028285 Density= 0.108204 ETOT(band)= -0.115752 trlgG= -0.144555 logG= -0.027455 TDE= -0.170645 Density= 0.106166 ETOT(band)= -0.117142 trlgG= -0.146670 logG= -0.028285 TDE= -0.170921 Density= 0.053983 ETOT(band)= -0.058425 trlgG= -0.073665 logG= -0.014597 TDE= -0.085782 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005113 tlogG= -0.023763 logG= -0.028876 Density= 0.108178 ETOT(band)= -0.116556 trlgG= -0.146814 logG= -0.028876 TDE= -0.171469 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106114 ETOT(band)= -0.117185 trlgG= -0.146784 logG= -0.028335 TDE= -0.170959 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.022168 logG= -0.027085 Density= 0.108360 ETOT(band)= -0.115445 trlgG= -0.143947 logG= -0.027085 TDE= -0.170484 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005100 tlogG= -0.023950 logG= -0.029050 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108229 ETOT(band)= -0.116631 trlgG= -0.147092 logG= -0.029050 TDE= -0.171600 logGD-logG0= -0.005284 tlogG= -0.024133 logG= -0.029417 logGD-logG0= -0.004508 tlogG= -0.024045 logG= -0.028553 Density= 0.106385 ETOT(band)= -0.117173 trlgG= -0.146792 logG= -0.028553 TDE= -0.170883 Density= 0.107810 ETOT(band)= -0.117081 trlgG= -0.147698 logG= -0.029417 TDE= -0.171630 logGD-logG0= -0.004827 tlogG= -0.022849 logG= -0.027676 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107747 ETOT(band)= -0.116109 trlgG= -0.144920 logG= -0.027676 TDE= -0.170563 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005060 tlogG= -0.023215 logG= -0.028274 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108194 ETOT(band)= -0.116218 trlgG= -0.145859 logG= -0.028274 TDE= -0.171124 logGD-logG0= -0.004793 tlogG= -0.023688 logG= -0.028481 Density= 0.107377 ETOT(band)= -0.116740 trlgG= -0.146389 logG= -0.028481 TDE= -0.171043 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004972 tlogG= -0.021694 logG= -0.026665 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107932 ETOT(band)= -0.115359 trlgG= -0.143250 logG= -0.026665 TDE= -0.169995 logGD-logG0= -0.005087 tlogG= -0.023871 logG= -0.028958 logGD-logG0= -0.005090 tlogG= -0.023605 logG= -0.028695 Density= 0.108204 ETOT(band)= -0.116441 trlgG= -0.146522 logG= -0.028695 TDE= -0.171372 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108250 ETOT(band)= -0.116567 trlgG= -0.146943 logG= -0.028958 TDE= -0.171552 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005251 tlogG= -0.024087 logG= -0.029338 Density= 0.107887 ETOT(band)= -0.116992 trlgG= -0.147572 logG= -0.029338 TDE= -0.171622 logGD-logG0= -0.005275 tlogG= -0.023901 logG= -0.029176 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107751 ETOT(band)= -0.116951 trlgG= -0.147293 logG= -0.029176 TDE= -0.171437 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023966 logG= -0.029159 Density= 0.107443 ETOT(band)= -0.117072 trlgG= -0.147236 logG= -0.029159 TDE= -0.171244 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.024092 logG= -0.029049 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107378 ETOT(band)= -0.117051 trlgG= -0.147130 logG= -0.029049 TDE= -0.171217 logGD-logG0= -0.004975 tlogG= -0.022407 logG= -0.027383 Density= 0.107634 ETOT(band)= -0.115980 trlgG= -0.144436 logG= -0.027383 TDE= -0.170316 logGD-logG0= -0.004671 tlogG= -0.023686 logG= -0.028358 Density= 0.106974 ETOT(band)= -0.116860 trlgG= -0.146481 logG= -0.028358 TDE= -0.171059 logGD-logG0= -0.004643 tlogG= -0.023668 logG= -0.028311 Density= 0.106595 ETOT(band)= -0.116979 trlgG= -0.146376 logG= -0.028311 TDE= -0.170814 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004672 tlogG= -0.022989 logG= -0.027661 logGD-logG0= -0.005074 tlogG= -0.022874 logG= -0.027949 Density= 0.106870 ETOT(band)= -0.116509 trlgG= -0.145200 logG= -0.027661 TDE= -0.170424 logGD-logG0= -0.004844 tlogG= -0.024069 logG= -0.028913 Density= 0.107054 ETOT(band)= -0.117113 trlgG= -0.147157 logG= -0.028913 TDE= -0.171220 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107615 ETOT(band)= -0.116314 trlgG= -0.145332 logG= -0.027949 TDE= -0.170637 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005226 tlogG= -0.024058 logG= -0.029284 logGD-logG0= -0.004697 tlogG= -0.023499 logG= -0.028197 Density= 0.106771 ETOT(band)= -0.116832 trlgG= -0.145946 logG= -0.028197 TDE= -0.170585 Density= 0.107947 ETOT(band)= -0.116925 trlgG= -0.147483 logG= -0.029284 TDE= -0.171616 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005237 tlogG= -0.023870 logG= -0.029107 Density= 0.107916 ETOT(band)= -0.116819 trlgG= -0.147186 logG= -0.029107 TDE= -0.171481 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009397 tlogG= -0.045759 logG= -0.055156 Density= 0.215017 ETOT(band)= -0.232342 trlgG= -0.289995 logG= -0.055156 TDE= -0.341240 logGD-logG0= -0.009710 tlogG= -0.048243 logG= -0.057954 Density= 0.214399 ETOT(band)= -0.234185 trlgG= -0.294389 logG= -0.057954 TDE= -0.342530 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009577 tlogG= -0.047159 logG= -0.056736 Density= 0.213763 ETOT(band)= -0.233780 trlgG= -0.292814 logG= -0.056736 TDE= -0.341859 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.023579 logG= -0.028854 logGD-logG0= -0.009677 tlogG= -0.045589 logG= -0.055266 Density= 0.214360 ETOT(band)= -0.232694 trlgG= -0.290174 logG= -0.055266 TDE= -0.340984 logGD-logG0= -0.009035 tlogG= -0.047631 logG= -0.056665 Density= 0.212920 ETOT(band)= -0.234081 trlgG= -0.292886 logG= -0.056665 TDE= -0.341584 Density= 0.107800 ETOT(band)= -0.116723 trlgG= -0.146771 logG= -0.028854 TDE= -0.171262 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009856 tlogG= -0.047900 logG= -0.057756 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213965 ETOT(band)= -0.234224 trlgG= -0.294078 logG= -0.057756 TDE= -0.342202 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009464 tlogG= -0.047930 logG= -0.057394 Density= 0.213267 ETOT(band)= -0.234289 trlgG= -0.293531 logG= -0.057394 TDE= -0.341672 logGD-logG0= -0.010432 tlogG= -0.047746 logG= -0.058179 Density= 0.214755 ETOT(band)= -0.234107 trlgG= -0.294224 logG= -0.058179 TDE= -0.342317 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009782 tlogG= -0.045648 logG= -0.055430 logGD-logG0= -0.002384 tlogG= -0.010425 logG= -0.012809 Density= 0.054379 ETOT(band)= -0.057080 trlgG= -0.070690 logG= -0.012809 TDE= -0.084791 logGD-logG0= -0.010236 tlogG= -0.047979 logG= -0.058215 logGD-logG0= -0.009349 tlogG= -0.047447 logG= -0.056796 Density= 0.214309 ETOT(band)= -0.233609 trlgG= -0.292943 logG= -0.056796 TDE= -0.342198 Density= 0.215149 ETOT(band)= -0.232417 trlgG= -0.289986 logG= -0.055430 TDE= -0.341023 logGD-logG0= -0.010097 tlogG= -0.047660 logG= -0.057757 Density= 0.213946 ETOT(band)= -0.234211 trlgG= -0.293830 logG= -0.057757 TDE= -0.341945 Density= 0.215072 ETOT(band)= -0.234015 trlgG= -0.294318 logG= -0.058215 TDE= -0.342531 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010297 tlogG= -0.047786 logG= -0.058083 Density= 0.214654 ETOT(band)= -0.234102 trlgG= -0.294055 logG= -0.058083 TDE= -0.342194 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010388 tlogG= -0.048081 logG= -0.058468 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215070 ETOT(band)= -0.234160 trlgG= -0.294735 logG= -0.058468 TDE= -0.342693 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010469 tlogG= -0.048015 logG= -0.058483 Density= 0.215107 ETOT(band)= -0.234151 trlgG= -0.294762 logG= -0.058483 TDE= -0.342724 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009980 tlogG= -0.048029 logG= -0.058008 Density= 0.214529 ETOT(band)= -0.234131 trlgG= -0.294137 logG= -0.058008 TDE= -0.342289 logGD-logG0= -0.010450 tlogG= -0.047941 logG= -0.058391 Density= 0.215898 ETOT(band)= -0.233721 trlgG= -0.294666 logG= -0.058391 TDE= -0.343112 logGD-logG0= -0.010525 tlogG= -0.047528 logG= -0.058053 Density= 0.215701 ETOT(band)= -0.233605 trlgG= -0.294104 logG= -0.058053 TDE= -0.342791 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010325 tlogG= -0.047308 logG= -0.057632 logGD-logG0= -0.010095 tlogG= -0.046411 logG= -0.056506 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214259 ETOT(band)= -0.234003 trlgG= -0.293306 logG= -0.057632 TDE= -0.341700 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215215 ETOT(band)= -0.232980 trlgG= -0.291621 logG= -0.056506 TDE= -0.341613 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010492 tlogG= -0.047420 logG= -0.057912 logGD-logG0= -0.010504 tlogG= -0.047890 logG= -0.058395 Density= 0.215769 ETOT(band)= -0.233794 trlgG= -0.294669 logG= -0.058395 TDE= -0.343048 logGD-logG0= -0.010582 tlogG= -0.048145 logG= -0.058727 Density= 0.215423 ETOT(band)= -0.234176 trlgG= -0.295198 logG= -0.058727 TDE= -0.343074 Density= 0.215468 ETOT(band)= -0.233646 trlgG= -0.293865 logG= -0.057912 TDE= -0.342577 logGD-logG0= -0.010534 tlogG= -0.046878 logG= -0.057412 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215429 ETOT(band)= -0.233369 trlgG= -0.293064 logG= -0.057412 TDE= -0.342257 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009705 tlogG= -0.047224 logG= -0.056928 Density= 0.214475 ETOT(band)= -0.233570 trlgG= -0.292716 logG= -0.056928 TDE= -0.341921 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009738 tlogG= -0.047154 logG= -0.056892 Density= 0.213773 ETOT(band)= -0.233824 trlgG= -0.292606 logG= -0.056892 TDE= -0.341500 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.047151 logG= -0.057158 logGD-logG0= -0.004952 tlogG= -0.021873 logG= -0.026825 Density= 0.108325 ETOT(band)= -0.115261 trlgG= -0.143497 logG= -0.026825 TDE= -0.170277 Density= 0.215150 ETOT(band)= -0.233381 trlgG= -0.292638 logG= -0.057158 TDE= -0.341948 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.021563 logG= -0.026428 Density= 0.108516 ETOT(band)= -0.114894 trlgG= -0.142817 logG= -0.026428 TDE= -0.170088 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009938 tlogG= -0.043388 logG= -0.053326 Density= 0.216279 ETOT(band)= -0.230506 trlgG= -0.286475 logG= -0.053326 TDE= -0.340175 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005619 logG= -0.006846 Density= 0.080838 ETOT(band)= -0.086982 trlgG= -0.108607 logG= -0.006846 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023957 logG= -0.028992 Density= 0.214337 ETOT(band)= -0.234136 trlgG= -0.293914 logG= -0.028992 TDE= -0.171083 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.022967 logG= -0.028105 Density= 0.216227 ETOT(band)= -0.232120 trlgG= -0.290584 logG= -0.028105 TDE= -0.170921 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023882 logG= -0.028757 Density= 0.213784 ETOT(band)= -0.234052 trlgG= -0.293007 logG= -0.028757 TDE= -0.170813 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023836 logG= -0.028628 Density= 0.213569 ETOT(band)= -0.234191 trlgG= -0.293743 logG= -0.028628 TDE= -0.171069 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023354 logG= -0.028748 Density= 0.215106 ETOT(band)= -0.233393 trlgG= -0.292714 logG= -0.028748 TDE= -0.170983 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001176 tlogG= -0.005171 logG= -0.006347 Density= 0.062540 ETOT(band)= -0.067557 trlgG= -0.084207 logG= -0.006347 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071496 ETOT(band)= -0.077361 trlgG= -0.096155 logG= -0.009146 TDE= -0.056744 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001419 tlogG= -0.007965 logG= -0.009384 Density= 0.070865 ETOT(band)= -0.077965 trlgG= -0.097454 logG= -0.009384 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023740 logG= -0.028131 Density= 0.213082 ETOT(band)= -0.233631 trlgG= -0.291767 logG= -0.028131 TDE= -0.170799 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001214 tlogG= -0.005468 logG= -0.006682 Density= 0.081201 ETOT(band)= -0.086368 trlgG= -0.107367 logG= -0.006682 TDE= -0.042577 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004753 tlogG= -0.022326 logG= -0.027079 Density= 0.215028 ETOT(band)= -0.231993 trlgG= -0.289088 logG= -0.027079 TDE= -0.170273 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001680 tlogG= -0.007116 logG= -0.008796 Density= 0.072231 ETOT(band)= -0.076491 trlgG= -0.094839 logG= -0.008796 TDE= -0.056629 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004875 tlogG= -0.022473 logG= -0.027347 Density= 0.215022 ETOT(band)= -0.231704 trlgG= -0.288043 logG= -0.027347 TDE= -0.170200 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004949 tlogG= -0.021349 logG= -0.026298 Density= 0.217025 ETOT(band)= -0.229213 trlgG= -0.284273 logG= -0.026298 TDE= -0.169913 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007206 Density= 0.080832 ETOT(band)= -0.087661 trlgG= -0.110363 logG= -0.007206 TDE= -0.042871 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005855 logG= -0.007118 Density= 0.080648 ETOT(band)= -0.087627 trlgG= -0.110166 logG= -0.007118 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001248 tlogG= -0.005747 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087412 trlgG= -0.109611 logG= -0.006995 TDE= -0.042751 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004908 tlogG= -0.021204 logG= -0.026112 Density= 0.216348 ETOT(band)= -0.230076 trlgG= -0.285532 logG= -0.026112 TDE= -0.169820 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004258 tlogG= -0.024131 logG= -0.028389 logGD-logG0= -0.001266 tlogG= -0.005983 logG= -0.007249 Density= 0.081061 ETOT(band)= -0.087564 trlgG= -0.110415 logG= -0.007249 TDE= -0.042901 Density= 0.212165 ETOT(band)= -0.234421 trlgG= -0.293691 logG= -0.028389 TDE= -0.170998 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004447 tlogG= -0.023586 logG= -0.028033 Density= 0.212613 ETOT(band)= -0.234039 trlgG= -0.292742 logG= -0.028033 TDE= -0.170715 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005182 tlogG= -0.024001 logG= -0.029183 Density= 0.215687 ETOT(band)= -0.233894 trlgG= -0.294823 logG= -0.029183 TDE= -0.171598 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.006873 logG= -0.008441 Density= 0.040849 ETOT(band)= -0.042679 trlgG= -0.052796 logG= -0.008441 TDE= -0.056469 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004561 tlogG= -0.023890 logG= -0.028451 Density= 0.213276 ETOT(band)= -0.233906 trlgG= -0.292495 logG= -0.028451 TDE= -0.170803 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023799 logG= -0.029015 Density= 0.215334 ETOT(band)= -0.233801 trlgG= -0.294168 logG= -0.029015 TDE= -0.171445 logGD-logG0= -0.005210 tlogG= -0.023481 logG= -0.028692 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215214 ETOT(band)= -0.233366 trlgG= -0.292905 logG= -0.028692 TDE= -0.171188 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022905 logG= -0.027830 Density= 0.214795 ETOT(band)= -0.232441 trlgG= -0.289688 logG= -0.027830 TDE= -0.170451 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023844 logG= -0.028877 Density= 0.215496 ETOT(band)= -0.233796 trlgG= -0.294273 logG= -0.028877 TDE= -0.171133 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005146 tlogG= -0.023999 logG= -0.029145 logGD-logG0= -0.004730 tlogG= -0.024006 logG= -0.028736 Density= 0.216358 ETOT(band)= -0.233374 trlgG= -0.294344 logG= -0.029145 TDE= -0.171615 Density= 0.321562 ETOT(band)= -0.351170 trlgG= -0.441340 logG= -0.028736 TDE= -0.171245 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.022438 logG= -0.027515 Density= 0.216372 ETOT(band)= -0.231322 trlgG= -0.288598 logG= -0.027515 TDE= -0.170586 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005166 tlogG= -0.023414 logG= -0.028580 logGD-logG0= -0.004642 tlogG= -0.023367 logG= -0.028008 Density= 0.216200 ETOT(band)= -0.232693 trlgG= -0.292201 logG= -0.028580 TDE= -0.171208 logGD-logG0= -0.010368 tlogG= -0.047234 logG= -0.057602 Density= 0.321633 ETOT(band)= -0.350122 trlgG= -0.438762 logG= -0.028008 TDE= -0.170920 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324135 ETOT(band)= -0.349600 trlgG= -0.439668 logG= -0.057602 TDE= -0.342678 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024122 logG= -0.029397 Density= 0.215719 ETOT(band)= -0.234050 trlgG= -0.295239 logG= -0.029397 TDE= -0.171630 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023956 logG= -0.029095 logGD-logG0= -0.010321 tlogG= -0.047786 logG= -0.058106 Density= 0.216392 ETOT(band)= -0.233270 trlgG= -0.294112 logG= -0.029095 TDE= -0.171588 Density= 0.324354 ETOT(band)= -0.349966 trlgG= -0.441016 logG= -0.058106 TDE= -0.343070 logGD-logG0= -0.004536 tlogG= -0.023972 logG= -0.028508 Density= 0.212802 ETOT(band)= -0.234317 trlgG= -0.293490 logG= -0.028508 TDE= -0.170851 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010366 tlogG= -0.046413 logG= -0.056779 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010093 tlogG= -0.045627 logG= -0.055721 Density= 0.324046 ETOT(band)= -0.348002 trlgG= -0.434962 logG= -0.055721 TDE= -0.341496 logGD-logG0= -0.005159 tlogG= -0.023761 logG= -0.028920 Density= 0.323998 ETOT(band)= -0.348945 trlgG= -0.437582 logG= -0.056779 TDE= -0.342120 Density= 0.216281 ETOT(band)= -0.233072 trlgG= -0.293408 logG= -0.028920 TDE= -0.171447 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004976 tlogG= -0.024157 logG= -0.029132 logGD-logG0= -0.005207 tlogG= -0.024083 logG= -0.029290 Density= 0.214739 ETOT(band)= -0.234207 trlgG= -0.294528 logG= -0.029132 TDE= -0.171256 Density= 0.323061 ETOT(band)= -0.351251 trlgG= -0.442668 logG= -0.029290 TDE= -0.171444 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.024162 logG= -0.029164 logGD-logG0= -0.005323 tlogG= -0.023898 logG= -0.029221 Density= 0.322439 ETOT(band)= -0.351280 trlgG= -0.442018 logG= -0.029164 TDE= -0.171251 logGD-logG0= -0.004988 tlogG= -0.023244 logG= -0.028231 Density= 0.215646 ETOT(band)= -0.233796 trlgG= -0.294551 logG= -0.029221 TDE= -0.171454 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321699 ETOT(band)= -0.350628 trlgG= -0.439614 logG= -0.028231 TDE= -0.170874 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010606 tlogG= -0.048039 logG= -0.058646 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009599 tlogG= -0.046604 logG= -0.056203 Density= 0.322704 ETOT(band)= -0.349073 trlgG= -0.436400 logG= -0.056203 TDE= -0.341649 Density= 0.323247 ETOT(band)= -0.351042 trlgG= -0.442364 logG= -0.058646 TDE= -0.343064 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.024006 logG= -0.028704 Density= 0.214118 ETOT(band)= -0.234128 trlgG= -0.294131 logG= -0.028704 TDE= -0.171250 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006502 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081560 ETOT(band)= -0.085699 trlgG= -0.106207 logG= -0.006502 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004741 tlogG= -0.023244 logG= -0.027985 Density= 0.213495 ETOT(band)= -0.233658 trlgG= -0.292226 logG= -0.027985 TDE= -0.170764 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004610 tlogG= -0.023370 logG= -0.027980 logGD-logG0= -0.005308 tlogG= -0.023957 logG= -0.029265 Density= 0.323663 ETOT(band)= -0.350713 trlgG= -0.442107 logG= -0.029265 TDE= -0.171502 Density= 0.214181 ETOT(band)= -0.233415 trlgG= -0.292337 logG= -0.027980 TDE= -0.170928 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008874 tlogG= -0.048095 logG= -0.056969 Density= 0.425522 ETOT(band)= -0.468433 trlgG= -0.586467 logG= -0.056969 TDE= -0.341818 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023194 logG= -0.028322 Density= 0.214866 ETOT(band)= -0.232995 trlgG= -0.291219 logG= -0.028322 TDE= -0.170639 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023684 logG= -0.029056 logGD-logG0= -0.009556 tlogG= -0.047839 logG= -0.057395 logGD-logG0= -0.009364 tlogG= -0.046712 logG= -0.056076 Density= 0.427885 ETOT(band)= -0.466215 trlgG= -0.581847 logG= -0.056076 TDE= -0.341259 Density= 0.428030 ETOT(band)= -0.468240 trlgG= -0.587848 logG= -0.057395 TDE= -0.342306 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215408 ETOT(band)= -0.233649 trlgG= -0.293854 logG= -0.029056 TDE= -0.171276 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009419 tlogG= -0.046606 logG= -0.056025 Density= 0.428091 ETOT(band)= -0.466936 trlgG= -0.584453 logG= -0.056025 TDE= -0.341674 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.048148 logG= -0.058207 logGD-logG0= -0.010228 tlogG= -0.047956 logG= -0.058184 Density= 0.429296 ETOT(band)= -0.468349 trlgG= -0.588618 logG= -0.058207 TDE= -0.342352 Density= 0.429199 ETOT(band)= -0.468311 trlgG= -0.588264 logG= -0.058184 TDE= -0.342193 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004867 tlogG= -0.021299 logG= -0.026166 Density= 0.162652 ETOT(band)= -0.173012 trlgG= -0.215912 logG= -0.026166 TDE= -0.169900 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010170 tlogG= -0.047667 logG= -0.057838 logGD-logG0= -0.010403 tlogG= -0.048070 logG= -0.058473 Density= 0.430141 ETOT(band)= -0.468181 trlgG= -0.589057 logG= -0.058473 TDE= -0.342693 Density= 0.428284 ETOT(band)= -0.468223 trlgG= -0.587180 logG= -0.057838 TDE= -0.341946 logGD-logG0= -0.010673 tlogG= -0.047693 logG= -0.058366 Density= 0.431092 ETOT(band)= -0.467544 trlgG= -0.588700 logG= -0.058366 TDE= -0.342816 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010572 tlogG= -0.047728 logG= -0.058300 Density= 0.430750 ETOT(band)= -0.467602 trlgG= -0.588342 logG= -0.058300 TDE= -0.342710 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.048221 logG= -0.058413 Density= 0.430034 ETOT(band)= -0.468351 trlgG= -0.589386 logG= -0.058413 TDE= -0.342568 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009566 tlogG= -0.047649 logG= -0.057215 Density= 0.426662 ETOT(band)= -0.468457 trlgG= -0.586985 logG= -0.057215 TDE= -0.341837 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009848 tlogG= -0.046399 logG= -0.056247 logGD-logG0= -0.009732 tlogG= -0.047853 logG= -0.057585 Density= 0.429527 ETOT(band)= -0.465640 trlgG= -0.581518 logG= -0.056247 TDE= -0.341370 Density= 0.429131 ETOT(band)= -0.468013 trlgG= -0.587818 logG= -0.057585 TDE= -0.342292 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004906 tlogG= -0.022291 logG= -0.027198 Density= 0.214258 ETOT(band)= -0.232483 trlgG= -0.289443 logG= -0.027198 TDE= -0.170187 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010232 tlogG= -0.046929 logG= -0.057161 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429876 ETOT(band)= -0.466554 trlgG= -0.584217 logG= -0.057161 TDE= -0.341660 logGD-logG0= -0.010597 tlogG= -0.048018 logG= -0.058615 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431334 ETOT(band)= -0.467826 trlgG= -0.589693 logG= -0.058615 TDE= -0.343081 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009913 tlogG= -0.047558 logG= -0.057471 Density= 0.428602 ETOT(band)= -0.467566 trlgG= -0.586218 logG= -0.057471 TDE= -0.341991 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.047267 logG= -0.057898 Density= 0.430479 ETOT(band)= -0.467178 trlgG= -0.586870 logG= -0.057898 TDE= -0.342325 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004793 tlogG= -0.022326 logG= -0.027120 Density= 0.322872 ETOT(band)= -0.348041 trlgG= -0.434010 logG= -0.027120 TDE= -0.170268 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009885 tlogG= -0.044620 logG= -0.054505 Density= 0.324290 ETOT(band)= -0.346731 trlgG= -0.431949 logG= -0.054505 TDE= -0.340817 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010156 tlogG= -0.047569 logG= -0.057725 Density= 0.430007 ETOT(band)= -0.467201 trlgG= -0.586148 logG= -0.057725 TDE= -0.342106 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005039 tlogG= -0.021878 logG= -0.026917 Density= 0.216630 ETOT(band)= -0.230322 trlgG= -0.286479 logG= -0.026917 TDE= -0.170246 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009519 tlogG= -0.047768 logG= -0.057288 Density= 0.427167 ETOT(band)= -0.468005 trlgG= -0.585835 logG= -0.057288 TDE= -0.341539 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009733 tlogG= -0.044623 logG= -0.054356 Density= 0.431610 ETOT(band)= -0.462159 trlgG= -0.574729 logG= -0.054356 TDE= -0.340455 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.875800317643 eV TrLogG= -407.268280631283 eV Ratio to renormalize= 1.000035669848 rho-rho_expected=-0.000784708666 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 36) Finished k-point number 73 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964684961491977 0.940472342286095 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002584 tlogG= -0.012032 logG= -0.014616 Density= 0.053763 ETOT(band)= -0.058543 trlgG= -0.073682 logG= -0.014616 TDE= -0.085671 logGD-logG0= -0.002402 tlogG= -0.012082 logG= -0.014484 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053584 ETOT(band)= -0.058555 trlgG= -0.073625 logG= -0.014484 TDE= -0.085657 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.022169 logG= -0.027085 Density= 0.108360 ETOT(band)= -0.115447 trlgG= -0.143948 logG= -0.027085 TDE= -0.170486 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005250 tlogG= -0.023684 logG= -0.028934 Density= 0.107230 ETOT(band)= -0.117022 trlgG= -0.146843 logG= -0.028934 TDE= -0.170972 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001047 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.004543 ETOT(band)= -0.004734 trlgG= -0.005852 logG= -0.001047 TDE= -0.007053 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004962 tlogG= -0.023642 logG= -0.028604 Density= 0.106976 ETOT(band)= -0.116951 trlgG= -0.146293 logG= -0.028604 TDE= -0.170626 logGD-logG0= -0.004671 tlogG= -0.023687 logG= -0.028358 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004643 tlogG= -0.023669 logG= -0.028311 Density= 0.106595 ETOT(band)= -0.116980 trlgG= -0.146379 logG= -0.028311 TDE= -0.170816 Density= 0.106974 ETOT(band)= -0.116862 trlgG= -0.146483 logG= -0.028358 TDE= -0.171061 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004994 tlogG= -0.022733 logG= -0.027727 logGD-logG0= -0.005074 tlogG= -0.022874 logG= -0.027949 Density= 0.108250 ETOT(band)= -0.115890 trlgG= -0.144993 logG= -0.027727 TDE= -0.170833 logGD-logG0= -0.004867 tlogG= -0.023892 logG= -0.028760 Density= 0.106755 ETOT(band)= -0.117134 trlgG= -0.146906 logG= -0.028760 TDE= -0.170974 Density= 0.107616 ETOT(band)= -0.116315 trlgG= -0.145334 logG= -0.027949 TDE= -0.170639 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023605 logG= -0.028695 Density= 0.108205 ETOT(band)= -0.116442 trlgG= -0.146524 logG= -0.028695 TDE= -0.171374 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002307 tlogG= -0.011884 logG= -0.014190 Density= 0.053561 ETOT(band)= -0.058411 trlgG= -0.073263 logG= -0.014190 TDE= -0.085578 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002314 tlogG= -0.011448 logG= -0.013761 Density= 0.053737 ETOT(band)= -0.058080 trlgG= -0.072498 logG= -0.013761 TDE= -0.085328 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001392 tlogG= -0.008045 logG= -0.009437 Density= 0.035312 ETOT(band)= -0.039084 trlgG= -0.048971 logG= -0.009437 TDE= -0.057008 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001473 tlogG= -0.007811 logG= -0.009285 Density= 0.035491 ETOT(band)= -0.038932 trlgG= -0.048606 logG= -0.009285 TDE= -0.056885 logGD-logG0= -0.005100 tlogG= -0.023950 logG= -0.029050 Density= 0.108230 ETOT(band)= -0.116632 trlgG= -0.147094 logG= -0.029050 TDE= -0.171602 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009034 tlogG= -0.047632 logG= -0.056666 Density= 0.212920 ETOT(band)= -0.234084 trlgG= -0.292891 logG= -0.056666 TDE= -0.341588 logGD-logG0= -0.004311 tlogG= -0.023975 logG= -0.028285 logGD-logG0= -0.005113 tlogG= -0.023764 logG= -0.028876 logGD-logG0= -0.004999 tlogG= -0.022456 logG= -0.027455 Density= 0.108204 ETOT(band)= -0.115753 trlgG= -0.144557 logG= -0.027455 TDE= -0.170647 logGD-logG0= -0.002540 tlogG= -0.011984 logG= -0.014524 Density= 0.108179 ETOT(band)= -0.116558 trlgG= -0.146815 logG= -0.028876 TDE= -0.171471 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106166 ETOT(band)= -0.117143 trlgG= -0.146673 logG= -0.028285 TDE= -0.170923 Density= 0.054138 ETOT(band)= -0.058304 trlgG= -0.073544 logG= -0.014524 TDE= -0.085811 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004284 tlogG= -0.024052 logG= -0.028336 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009737 tlogG= -0.047155 logG= -0.056892 Density= 0.213774 ETOT(band)= -0.233827 trlgG= -0.292610 logG= -0.056892 TDE= -0.341504 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.023430 logG= -0.028538 Density= 0.108132 ETOT(band)= -0.116396 trlgG= -0.146280 logG= -0.028538 TDE= -0.171250 logGD-logG0= -0.004827 tlogG= -0.022849 logG= -0.027676 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002609 tlogG= -0.011988 logG= -0.014597 logGD-logG0= -0.005242 tlogG= -0.024071 logG= -0.029313 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107748 ETOT(band)= -0.116110 trlgG= -0.144922 logG= -0.027676 TDE= -0.170565 Density= 0.107642 ETOT(band)= -0.117087 trlgG= -0.147511 logG= -0.029313 TDE= -0.171464 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106114 ETOT(band)= -0.117187 trlgG= -0.146786 logG= -0.028336 TDE= -0.170961 logGD-logG0= -0.009464 tlogG= -0.047931 logG= -0.057395 logGD-logG0= -0.004508 tlogG= -0.024046 logG= -0.028553 Density= 0.053983 ETOT(band)= -0.058425 trlgG= -0.073666 logG= -0.014597 TDE= -0.085783 Density= 0.106385 ETOT(band)= -0.117175 trlgG= -0.146794 logG= -0.028553 TDE= -0.170885 Density= 0.213268 ETOT(band)= -0.234293 trlgG= -0.293535 logG= -0.057395 TDE= -0.341676 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005067 tlogG= -0.022982 logG= -0.028049 logGD-logG0= -0.004793 tlogG= -0.023688 logG= -0.028481 Density= 0.108136 ETOT(band)= -0.116126 trlgG= -0.145505 logG= -0.028049 TDE= -0.170967 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023206 logG= -0.027790 Density= 0.106734 ETOT(band)= -0.116642 trlgG= -0.145465 logG= -0.027790 TDE= -0.170492 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107378 ETOT(band)= -0.116742 trlgG= -0.146391 logG= -0.028481 TDE= -0.171045 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009781 tlogG= -0.045649 logG= -0.055430 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215150 ETOT(band)= -0.232420 trlgG= -0.289990 logG= -0.055430 TDE= -0.341027 logGD-logG0= -0.005283 tlogG= -0.024134 logG= -0.029417 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.023871 logG= -0.028958 Density= 0.108251 ETOT(band)= -0.116568 trlgG= -0.146944 logG= -0.028958 TDE= -0.171554 Density= 0.107811 ETOT(band)= -0.117082 trlgG= -0.147699 logG= -0.029417 TDE= -0.171633 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005193 tlogG= -0.023967 logG= -0.029159 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107443 ETOT(band)= -0.117073 trlgG= -0.147238 logG= -0.029159 TDE= -0.171246 logGD-logG0= -0.004975 tlogG= -0.022408 logG= -0.027383 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107634 ETOT(band)= -0.115982 trlgG= -0.144438 logG= -0.027383 TDE= -0.170318 logGD-logG0= -0.005059 tlogG= -0.023215 logG= -0.028275 Density= 0.108195 ETOT(band)= -0.116219 trlgG= -0.145860 logG= -0.028275 TDE= -0.171126 logGD-logG0= -0.005251 tlogG= -0.024088 logG= -0.029338 logGD-logG0= -0.004697 tlogG= -0.023500 logG= -0.028197 Density= 0.106771 ETOT(band)= -0.116833 trlgG= -0.145949 logG= -0.028197 TDE= -0.170587 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107888 ETOT(band)= -0.116994 trlgG= -0.147574 logG= -0.029338 TDE= -0.171624 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.024093 logG= -0.029049 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107379 ETOT(band)= -0.117052 trlgG= -0.147132 logG= -0.029049 TDE= -0.171219 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004671 tlogG= -0.022990 logG= -0.027661 Density= 0.106870 ETOT(band)= -0.116511 trlgG= -0.145202 logG= -0.027661 TDE= -0.170426 logGD-logG0= -0.004844 tlogG= -0.024069 logG= -0.028913 logGD-logG0= -0.005275 tlogG= -0.023902 logG= -0.029177 Density= 0.107055 ETOT(band)= -0.117115 trlgG= -0.147159 logG= -0.028913 TDE= -0.171222 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107752 ETOT(band)= -0.116953 trlgG= -0.147295 logG= -0.029177 TDE= -0.171439 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023195 logG= -0.028461 Density= 0.107683 ETOT(band)= -0.116563 trlgG= -0.146144 logG= -0.028461 TDE= -0.170970 logGD-logG0= -0.004703 tlogG= -0.022852 logG= -0.027555 Density= 0.107296 ETOT(band)= -0.116256 trlgG= -0.145049 logG= -0.027555 TDE= -0.170589 logGD-logG0= -0.005237 tlogG= -0.023870 logG= -0.029107 Density= 0.107916 ETOT(band)= -0.116820 trlgG= -0.147188 logG= -0.029107 TDE= -0.171483 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005274 tlogG= -0.023580 logG= -0.028854 logGD-logG0= -0.009396 tlogG= -0.045760 logG= -0.055157 Density= 0.107800 ETOT(band)= -0.116724 trlgG= -0.146773 logG= -0.028854 TDE= -0.171264 logGD-logG0= -0.005225 tlogG= -0.024059 logG= -0.029284 Density= 0.215018 ETOT(band)= -0.232345 trlgG= -0.289999 logG= -0.055157 TDE= -0.341244 Density= 0.107948 ETOT(band)= -0.116926 trlgG= -0.147485 logG= -0.029284 TDE= -0.171618 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009710 tlogG= -0.048244 logG= -0.057954 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214400 ETOT(band)= -0.234187 trlgG= -0.294393 logG= -0.057954 TDE= -0.342534 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009576 tlogG= -0.047160 logG= -0.056736 logGD-logG0= -0.009676 tlogG= -0.045590 logG= -0.055267 Density= 0.213764 ETOT(band)= -0.233783 trlgG= -0.292818 logG= -0.056736 TDE= -0.341863 logGD-logG0= -0.004951 tlogG= -0.021874 logG= -0.026825 Density= 0.214361 ETOT(band)= -0.232697 trlgG= -0.290178 logG= -0.055267 TDE= -0.340988 Density= 0.108325 ETOT(band)= -0.115262 trlgG= -0.143499 logG= -0.026825 TDE= -0.170279 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010387 tlogG= -0.048082 logG= -0.058469 Density= 0.215071 ETOT(band)= -0.234163 trlgG= -0.294738 logG= -0.058469 TDE= -0.342698 logGD-logG0= -0.009856 tlogG= -0.047901 logG= -0.057757 Density= 0.213966 ETOT(band)= -0.234227 trlgG= -0.294082 logG= -0.057757 TDE= -0.342206 logGD-logG0= -0.010236 tlogG= -0.047980 logG= -0.058216 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215074 ETOT(band)= -0.234018 trlgG= -0.294322 logG= -0.058216 TDE= -0.342536 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002383 tlogG= -0.010425 logG= -0.012809 Density= 0.054380 ETOT(band)= -0.057080 trlgG= -0.070691 logG= -0.012809 TDE= -0.084792 logGD-logG0= -0.001677 tlogG= -0.007305 logG= -0.008982 Density= 0.035844 ETOT(band)= -0.038582 trlgG= -0.047908 logG= -0.008982 TDE= -0.056663 logGD-logG0= -0.009349 tlogG= -0.047448 logG= -0.056797 logGD-logG0= -0.001611 tlogG= -0.006991 logG= -0.008602 Density= 0.036197 ETOT(band)= -0.038132 trlgG= -0.047246 logG= -0.008602 TDE= -0.056555 Density= 0.214310 ETOT(band)= -0.233612 trlgG= -0.292947 logG= -0.056797 TDE= -0.342202 logGD-logG0= -0.010097 tlogG= -0.047660 logG= -0.057757 Density= 0.213947 ETOT(band)= -0.234214 trlgG= -0.293834 logG= -0.057757 TDE= -0.341949 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010432 tlogG= -0.047747 logG= -0.058179 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009979 tlogG= -0.048030 logG= -0.058009 logGD-logG0= -0.010468 tlogG= -0.048015 logG= -0.058484 logGD-logG0= -0.002444 tlogG= -0.010841 logG= -0.013284 Density= 0.214756 ETOT(band)= -0.234110 trlgG= -0.294228 logG= -0.058179 TDE= -0.342321 Density= 0.215108 ETOT(band)= -0.234154 trlgG= -0.294766 logG= -0.058484 TDE= -0.342728 Density= 0.214530 ETOT(band)= -0.234134 trlgG= -0.294141 logG= -0.058009 TDE= -0.342293 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047309 logG= -0.057633 Density= 0.214260 ETOT(band)= -0.234006 trlgG= -0.293310 logG= -0.057633 TDE= -0.341704 Density= 0.054064 ETOT(band)= -0.057599 trlgG= -0.071538 logG= -0.013284 TDE= -0.085007 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010449 tlogG= -0.047943 logG= -0.058392 Density= 0.215899 ETOT(band)= -0.233723 trlgG= -0.294670 logG= -0.058392 TDE= -0.343116 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010296 tlogG= -0.047787 logG= -0.058084 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214655 ETOT(band)= -0.234104 trlgG= -0.294059 logG= -0.058084 TDE= -0.342198 logGD-logG0= -0.010582 tlogG= -0.048146 logG= -0.058727 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010534 tlogG= -0.046878 logG= -0.057412 Density= 0.215425 ETOT(band)= -0.234179 trlgG= -0.295202 logG= -0.058727 TDE= -0.343078 logGD-logG0= -0.010095 tlogG= -0.046412 logG= -0.056506 Density= 0.215216 ETOT(band)= -0.232982 trlgG= -0.291624 logG= -0.056506 TDE= -0.341617 Density= 0.215431 ETOT(band)= -0.233372 trlgG= -0.293068 logG= -0.057412 TDE= -0.342261 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010524 tlogG= -0.047530 logG= -0.058053 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215702 ETOT(band)= -0.233608 trlgG= -0.294108 logG= -0.058053 TDE= -0.342795 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010491 tlogG= -0.047421 logG= -0.057913 Density= 0.215469 ETOT(band)= -0.233649 trlgG= -0.293869 logG= -0.057913 TDE= -0.342581 logGD-logG0= -0.010504 tlogG= -0.047891 logG= -0.058395 Density= 0.215770 ETOT(band)= -0.233796 trlgG= -0.294673 logG= -0.058395 TDE= -0.343052 logGD-logG0= -0.009704 tlogG= -0.047225 logG= -0.056929 Density= 0.214476 ETOT(band)= -0.233573 trlgG= -0.292720 logG= -0.056929 TDE= -0.341925 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010006 tlogG= -0.047152 logG= -0.057158 Density= 0.215151 ETOT(band)= -0.233384 trlgG= -0.292642 logG= -0.057158 TDE= -0.341952 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004865 tlogG= -0.021563 logG= -0.026428 Density= 0.108516 ETOT(band)= -0.114895 trlgG= -0.142818 logG= -0.026428 TDE= -0.170090 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004784 tlogG= -0.020988 logG= -0.025772 Density= 0.108713 ETOT(band)= -0.114307 trlgG= -0.141661 logG= -0.025772 TDE= -0.169685 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005031 tlogG= -0.021817 logG= -0.026848 Density= 0.107789 ETOT(band)= -0.115553 trlgG= -0.143562 logG= -0.026848 TDE= -0.170053 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009937 tlogG= -0.043389 logG= -0.053326 Density= 0.216281 ETOT(band)= -0.230508 trlgG= -0.286478 logG= -0.053326 TDE= -0.340179 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004971 tlogG= -0.021694 logG= -0.026665 Density= 0.107932 ETOT(band)= -0.115360 trlgG= -0.143252 logG= -0.026665 TDE= -0.169997 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001262 tlogG= -0.005855 logG= -0.007118 Density= 0.080648 ETOT(band)= -0.087628 trlgG= -0.110167 logG= -0.007118 TDE= -0.042817 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005939 logG= -0.007206 Density= 0.080832 ETOT(band)= -0.087662 trlgG= -0.110364 logG= -0.007206 TDE= -0.042872 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005035 tlogG= -0.023957 logG= -0.028992 Density= 0.214338 ETOT(band)= -0.234139 trlgG= -0.293918 logG= -0.028992 TDE= -0.171085 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005077 tlogG= -0.022439 logG= -0.027515 Density= 0.216373 ETOT(band)= -0.231324 trlgG= -0.288602 logG= -0.027515 TDE= -0.170588 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.023882 logG= -0.028757 Density= 0.213785 ETOT(band)= -0.234055 trlgG= -0.293011 logG= -0.028757 TDE= -0.170815 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004740 tlogG= -0.023245 logG= -0.027985 Density= 0.213496 ETOT(band)= -0.233661 trlgG= -0.292230 logG= -0.027985 TDE= -0.170766 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.022968 logG= -0.028105 Density= 0.216228 ETOT(band)= -0.232122 trlgG= -0.290588 logG= -0.028105 TDE= -0.170923 logGD-logG0= -0.005158 tlogG= -0.023762 logG= -0.028920 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216282 ETOT(band)= -0.233075 trlgG= -0.293411 logG= -0.028920 TDE= -0.171449 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023371 logG= -0.027980 Density= 0.214182 ETOT(band)= -0.233418 trlgG= -0.292341 logG= -0.027980 TDE= -0.170930 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005619 logG= -0.006846 logGD-logG0= -0.001248 tlogG= -0.005748 logG= -0.006995 Density= 0.080636 ETOT(band)= -0.087413 trlgG= -0.109612 logG= -0.006995 TDE= -0.042752 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080838 ETOT(band)= -0.086983 trlgG= -0.108608 logG= -0.006846 TDE= -0.042675 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005128 tlogG= -0.023194 logG= -0.028322 logGD-logG0= -0.001265 tlogG= -0.005984 logG= -0.007249 Density= 0.214867 ETOT(band)= -0.232997 trlgG= -0.291223 logG= -0.028322 TDE= -0.170641 Density= 0.081062 ETOT(band)= -0.087565 trlgG= -0.110417 logG= -0.007249 TDE= -0.042902 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008873 tlogG= -0.048096 logG= -0.056970 Density= 0.425524 ETOT(band)= -0.468439 trlgG= -0.586475 logG= -0.056970 TDE= -0.341822 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004792 tlogG= -0.023837 logG= -0.028629 Density= 0.213570 ETOT(band)= -0.234194 trlgG= -0.293748 logG= -0.028629 TDE= -0.171071 logGD-logG0= -0.005182 tlogG= -0.024002 logG= -0.029183 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215688 ETOT(band)= -0.233897 trlgG= -0.294827 logG= -0.029183 TDE= -0.171600 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009519 tlogG= -0.047769 logG= -0.057288 Density= 0.427168 ETOT(band)= -0.468012 trlgG= -0.585843 logG= -0.057288 TDE= -0.341543 logGD-logG0= -0.009565 tlogG= -0.047650 logG= -0.057215 Density= 0.426664 ETOT(band)= -0.468463 trlgG= -0.586993 logG= -0.057215 TDE= -0.341841 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.023482 logG= -0.028692 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215216 ETOT(band)= -0.233369 trlgG= -0.292909 logG= -0.028692 TDE= -0.171190 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009847 tlogG= -0.046400 logG= -0.056248 Density= 0.429529 ETOT(band)= -0.465646 trlgG= -0.581526 logG= -0.056248 TDE= -0.341374 logGD-logG0= -0.005145 tlogG= -0.024000 logG= -0.029145 Density= 0.216359 ETOT(band)= -0.233376 trlgG= -0.294348 logG= -0.029145 TDE= -0.171617 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004391 tlogG= -0.023740 logG= -0.028131 Density= 0.213083 ETOT(band)= -0.233634 trlgG= -0.291771 logG= -0.028131 TDE= -0.170802 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004561 tlogG= -0.023890 logG= -0.028451 Density= 0.213277 ETOT(band)= -0.233909 trlgG= -0.292500 logG= -0.028451 TDE= -0.170805 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001568 tlogG= -0.006873 logG= -0.008441 logGD-logG0= -0.005215 tlogG= -0.023800 logG= -0.029015 logGD-logG0= -0.001176 tlogG= -0.005171 logG= -0.006347 Density= 0.062540 ETOT(band)= -0.067557 trlgG= -0.084208 logG= -0.006347 TDE= -0.042364 4) Finished k-point 10 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215335 ETOT(band)= -0.233804 trlgG= -0.294172 logG= -0.029015 TDE= -0.171447 Density= 0.040850 ETOT(band)= -0.042680 trlgG= -0.052796 logG= -0.008441 TDE= -0.056469 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004258 tlogG= -0.024132 logG= -0.028390 Density= 0.212166 ETOT(band)= -0.234425 trlgG= -0.293696 logG= -0.028390 TDE= -0.171000 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005033 tlogG= -0.023845 logG= -0.028878 Density= 0.215497 ETOT(band)= -0.233799 trlgG= -0.294277 logG= -0.028878 TDE= -0.171135 logGD-logG0= -0.004446 tlogG= -0.023587 logG= -0.028033 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212614 ETOT(band)= -0.234042 trlgG= -0.292747 logG= -0.028033 TDE= -0.170717 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001558 tlogG= -0.007588 logG= -0.009146 Density= 0.071497 ETOT(band)= -0.077362 trlgG= -0.096156 logG= -0.009146 TDE= -0.056745 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004730 tlogG= -0.024006 logG= -0.028736 Density= 0.321564 ETOT(band)= -0.351174 trlgG= -0.441346 logG= -0.028736 TDE= -0.171247 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004535 tlogG= -0.023973 logG= -0.028508 Density= 0.212803 ETOT(band)= -0.234320 trlgG= -0.293494 logG= -0.028508 TDE= -0.170853 logGD-logG0= -0.005001 tlogG= -0.024162 logG= -0.029164 logGD-logG0= -0.005138 tlogG= -0.023957 logG= -0.029095 Density= 0.322441 ETOT(band)= -0.351285 trlgG= -0.442023 logG= -0.029164 TDE= -0.171253 Density= 0.216393 ETOT(band)= -0.233272 trlgG= -0.294115 logG= -0.029095 TDE= -0.171590 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024123 logG= -0.029397 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009598 tlogG= -0.046605 logG= -0.056203 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322706 ETOT(band)= -0.349077 trlgG= -0.436406 logG= -0.056203 TDE= -0.341653 Density= 0.215721 ETOT(band)= -0.234053 trlgG= -0.295243 logG= -0.029397 TDE= -0.171632 logGD-logG0= -0.004976 tlogG= -0.024157 logG= -0.029133 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010320 tlogG= -0.047787 logG= -0.058107 Density= 0.214741 ETOT(band)= -0.234210 trlgG= -0.294532 logG= -0.029133 TDE= -0.171258 Density= 0.324356 ETOT(band)= -0.349970 trlgG= -0.441021 logG= -0.058107 TDE= -0.343074 logGD-logG0= -0.004641 tlogG= -0.023367 logG= -0.028009 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009884 tlogG= -0.044621 logG= -0.054505 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321635 ETOT(band)= -0.350126 trlgG= -0.438768 logG= -0.028009 TDE= -0.170922 Density= 0.324291 ETOT(band)= -0.346735 trlgG= -0.431954 logG= -0.054505 TDE= -0.340821 logGD-logG0= -0.001195 tlogG= -0.005307 logG= -0.006502 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081561 ETOT(band)= -0.085700 trlgG= -0.106208 logG= -0.006502 TDE= -0.042466 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010093 tlogG= -0.045628 logG= -0.055721 Density= 0.324048 ETOT(band)= -0.348006 trlgG= -0.434967 logG= -0.055721 TDE= -0.341499 logGD-logG0= -0.005207 tlogG= -0.024084 logG= -0.029290 logGD-logG0= -0.005165 tlogG= -0.023415 logG= -0.028580 Density= 0.216201 ETOT(band)= -0.232696 trlgG= -0.292204 logG= -0.028580 TDE= -0.171210 Density= 0.323063 ETOT(band)= -0.351255 trlgG= -0.442674 logG= -0.029290 TDE= -0.171446 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004925 tlogG= -0.022905 logG= -0.027830 Density= 0.214796 ETOT(band)= -0.232444 trlgG= -0.289692 logG= -0.027830 TDE= -0.170453 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005323 tlogG= -0.023899 logG= -0.029222 Density= 0.215648 ETOT(band)= -0.233799 trlgG= -0.294555 logG= -0.029222 TDE= -0.171456 logGD-logG0= -0.010367 tlogG= -0.047236 logG= -0.057602 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324137 ETOT(band)= -0.349604 trlgG= -0.439673 logG= -0.057602 TDE= -0.342682 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005308 tlogG= -0.023958 logG= -0.029266 logGD-logG0= -0.004988 tlogG= -0.023244 logG= -0.028232 Density= 0.323665 ETOT(band)= -0.350717 trlgG= -0.442112 logG= -0.029266 TDE= -0.171504 Density= 0.321701 ETOT(band)= -0.350632 trlgG= -0.439620 logG= -0.028232 TDE= -0.170876 logGD-logG0= -0.004697 tlogG= -0.024007 logG= -0.028704 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214119 ETOT(band)= -0.234131 trlgG= -0.294135 logG= -0.028704 TDE= -0.171252 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001419 tlogG= -0.007966 logG= -0.009384 Density= 0.070865 ETOT(band)= -0.077966 trlgG= -0.097456 logG= -0.009384 TDE= -0.056969 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010606 tlogG= -0.048041 logG= -0.058646 logGD-logG0= -0.005371 tlogG= -0.023685 logG= -0.029056 Density= 0.215409 ETOT(band)= -0.233652 trlgG= -0.293857 logG= -0.029056 TDE= -0.171278 Density= 0.323249 ETOT(band)= -0.351047 trlgG= -0.442370 logG= -0.058646 TDE= -0.343068 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010365 tlogG= -0.046414 logG= -0.056779 Density= 0.324000 ETOT(band)= -0.348949 trlgG= -0.437588 logG= -0.056779 TDE= -0.342124 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005394 tlogG= -0.023354 logG= -0.028748 Density= 0.215107 ETOT(band)= -0.233396 trlgG= -0.292718 logG= -0.028748 TDE= -0.170985 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010170 tlogG= -0.047668 logG= -0.057838 Density= 0.428286 ETOT(band)= -0.468229 trlgG= -0.587188 logG= -0.057838 TDE= -0.341951 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009364 tlogG= -0.046713 logG= -0.056077 Density= 0.427887 ETOT(band)= -0.466221 trlgG= -0.581855 logG= -0.056077 TDE= -0.341263 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010403 tlogG= -0.048071 logG= -0.058473 Density= 0.430144 ETOT(band)= -0.468186 trlgG= -0.589065 logG= -0.058473 TDE= -0.342697 logGD-logG0= -0.005038 tlogG= -0.021879 logG= -0.026917 Density= 0.216631 ETOT(band)= -0.230325 trlgG= -0.286482 logG= -0.026917 TDE= -0.170247 logGD-logG0= -0.009555 tlogG= -0.047840 logG= -0.057395 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009418 tlogG= -0.046607 logG= -0.056025 Density= 0.428093 ETOT(band)= -0.466943 trlgG= -0.584461 logG= -0.056025 TDE= -0.341679 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428032 ETOT(band)= -0.468246 trlgG= -0.587856 logG= -0.057395 TDE= -0.342310 logGD-logG0= -0.010192 tlogG= -0.048222 logG= -0.058414 Density= 0.430037 ETOT(band)= -0.468357 trlgG= -0.589394 logG= -0.058414 TDE= -0.342572 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010059 tlogG= -0.048149 logG= -0.058208 Density= 0.429299 ETOT(band)= -0.468354 trlgG= -0.588625 logG= -0.058208 TDE= -0.342356 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004866 tlogG= -0.021300 logG= -0.026166 logGD-logG0= -0.009731 tlogG= -0.047854 logG= -0.057585 Density= 0.429134 ETOT(band)= -0.468019 trlgG= -0.587826 logG= -0.057585 TDE= -0.342296 Density= 0.162653 ETOT(band)= -0.173014 trlgG= -0.215914 logG= -0.026166 TDE= -0.169902 logGD-logG0= -0.010228 tlogG= -0.047957 logG= -0.058185 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429202 ETOT(band)= -0.468317 trlgG= -0.588272 logG= -0.058185 TDE= -0.342197 logGD-logG0= -0.004949 tlogG= -0.021350 logG= -0.026299 Density= 0.217026 ETOT(band)= -0.229216 trlgG= -0.284276 logG= -0.026299 TDE= -0.169915 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.047729 logG= -0.058300 Density= 0.430753 ETOT(band)= -0.467607 trlgG= -0.588349 logG= -0.058300 TDE= -0.342714 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010232 tlogG= -0.046930 logG= -0.057162 logGD-logG0= -0.010672 tlogG= -0.047694 logG= -0.058366 Density= 0.429878 ETOT(band)= -0.466560 trlgG= -0.584225 logG= -0.057162 TDE= -0.341664 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431095 ETOT(band)= -0.467549 trlgG= -0.588708 logG= -0.058366 TDE= -0.342820 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010596 tlogG= -0.048019 logG= -0.058616 Density= 0.431336 ETOT(band)= -0.467831 trlgG= -0.589701 logG= -0.058616 TDE= -0.343085 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009912 tlogG= -0.047560 logG= -0.057472 Density= 0.428604 ETOT(band)= -0.467572 trlgG= -0.586226 logG= -0.057472 TDE= -0.341995 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.047268 logG= -0.057898 Density= 0.430482 ETOT(band)= -0.467184 trlgG= -0.586877 logG= -0.057898 TDE= -0.342329 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007116 logG= -0.008796 Density= 0.072231 ETOT(band)= -0.076492 trlgG= -0.094840 logG= -0.008796 TDE= -0.056630 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004793 tlogG= -0.022327 logG= -0.027120 Density= 0.322874 ETOT(band)= -0.348045 trlgG= -0.434015 logG= -0.027120 TDE= -0.170270 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010156 tlogG= -0.047570 logG= -0.057725 Density= 0.430009 ETOT(band)= -0.467207 trlgG= -0.586155 logG= -0.057725 TDE= -0.342110 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001214 tlogG= -0.005468 logG= -0.006682 Density= 0.081202 ETOT(band)= -0.086369 trlgG= -0.107369 logG= -0.006682 TDE= -0.042578 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004906 tlogG= -0.022292 logG= -0.027198 Density= 0.214259 ETOT(band)= -0.232486 trlgG= -0.289447 logG= -0.027198 TDE= -0.170189 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004874 tlogG= -0.022473 logG= -0.027348 Density= 0.215023 ETOT(band)= -0.231707 trlgG= -0.288047 logG= -0.027348 TDE= -0.170202 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022327 logG= -0.027079 Density= 0.215029 ETOT(band)= -0.231996 trlgG= -0.289092 logG= -0.027079 TDE= -0.170275 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009732 tlogG= -0.044624 logG= -0.054356 Density= 0.431612 ETOT(band)= -0.462165 trlgG= -0.574737 logG= -0.054356 TDE= -0.340459 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004907 tlogG= -0.021205 logG= -0.026112 Density= 0.216349 ETOT(band)= -0.230079 trlgG= -0.285535 logG= -0.026112 TDE= -0.169822 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.879819473914 eV TrLogG= -407.274399645083 eV Ratio to renormalize= 1.000030320528 rho-rho_expected=-0.000667031384 nargs= 1 argi=dmft2.def 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 42) Finished k-point number 86 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 14) Finished k-point number 30 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 78 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964602589536554 0.940311442405381 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002404 tlogG= -0.012077 logG= -0.014481 Density= 0.053579 ETOT(band)= -0.058542 trlgG= -0.073608 logG= -0.014481 TDE= -0.085641 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002586 tlogG= -0.012027 logG= -0.014613 Density= 0.053758 ETOT(band)= -0.058531 trlgG= -0.073665 logG= -0.014613 TDE= -0.085654 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005093 tlogG= -0.023860 logG= -0.028953 Density= 0.108240 ETOT(band)= -0.116545 trlgG= -0.146912 logG= -0.028953 TDE= -0.171521 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009685 tlogG= -0.045570 logG= -0.055255 Density= 0.214346 ETOT(band)= -0.232646 trlgG= -0.290108 logG= -0.055255 TDE= -0.340922 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009741 tlogG= -0.047139 logG= -0.056880 logGD-logG0= -0.009467 tlogG= -0.047914 logG= -0.057382 Density= 0.213759 ETOT(band)= -0.233775 trlgG= -0.292539 logG= -0.056880 TDE= -0.341438 Density= 0.213253 ETOT(band)= -0.234240 trlgG= -0.293462 logG= -0.057382 TDE= -0.341608 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.021864 logG= -0.026821 Density= 0.108316 ETOT(band)= -0.115239 trlgG= -0.143468 logG= -0.026821 TDE= -0.170247 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009947 tlogG= -0.043370 logG= -0.053317 Density= 0.216263 ETOT(band)= -0.230461 trlgG= -0.286416 logG= -0.053317 TDE= -0.340116 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002316 tlogG= -0.011443 logG= -0.013759 Density= 0.053733 ETOT(band)= -0.058067 trlgG= -0.072481 logG= -0.013759 TDE= -0.085312 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002309 tlogG= -0.011878 logG= -0.014187 Density= 0.053557 ETOT(band)= -0.058398 trlgG= -0.073245 logG= -0.014187 TDE= -0.085561 logGD-logG0= -0.001474 tlogG= -0.007808 logG= -0.009283 Density= 0.035489 ETOT(band)= -0.038923 trlgG= -0.048594 logG= -0.009283 TDE= -0.056873 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001393 tlogG= -0.008041 logG= -0.009435 Density= 0.035310 ETOT(band)= -0.039074 trlgG= -0.048958 logG= -0.009435 TDE= -0.056997 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000194 tlogG= -0.000852 logG= -0.001046 Density= 0.004543 ETOT(band)= -0.004733 trlgG= -0.005851 logG= -0.001046 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.004314 tlogG= -0.023965 logG= -0.028279 Density= 0.106160 ETOT(band)= -0.117116 trlgG= -0.146635 logG= -0.028279 TDE= -0.170889 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.023635 logG= -0.028598 Density= 0.106968 ETOT(band)= -0.116925 trlgG= -0.146257 logG= -0.028598 TDE= -0.170592 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005078 tlogG= -0.022866 logG= -0.027943 Density= 0.107607 ETOT(band)= -0.116291 trlgG= -0.145301 logG= -0.027943 TDE= -0.170606 logGD-logG0= -0.004868 tlogG= -0.023885 logG= -0.028753 Density= 0.106747 ETOT(band)= -0.117108 trlgG= -0.146869 logG= -0.028753 TDE= -0.170940 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005000 tlogG= -0.022723 logG= -0.027722 logGD-logG0= -0.004676 tlogG= -0.023676 logG= -0.028352 Density= 0.106967 ETOT(band)= -0.116836 trlgG= -0.146447 logG= -0.028352 TDE= -0.171028 logGD-logG0= -0.004700 tlogG= -0.023491 logG= -0.028191 Density= 0.106764 ETOT(band)= -0.116807 trlgG= -0.145913 logG= -0.028191 TDE= -0.170554 Density= 0.108240 ETOT(band)= -0.115867 trlgG= -0.144961 logG= -0.027722 TDE= -0.170801 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.023752 logG= -0.028871 Density= 0.108168 ETOT(band)= -0.116535 trlgG= -0.146783 logG= -0.028871 TDE= -0.171439 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002543 tlogG= -0.011978 logG= -0.014521 Density= 0.054133 ETOT(band)= -0.058293 trlgG= -0.073528 logG= -0.014521 TDE= -0.085795 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002386 tlogG= -0.010421 logG= -0.012807 Density= 0.054375 ETOT(band)= -0.057069 trlgG= -0.070676 logG= -0.012807 TDE= -0.084776 logGD-logG0= -0.004287 tlogG= -0.024042 logG= -0.028329 Density= 0.106108 ETOT(band)= -0.117159 trlgG= -0.146748 logG= -0.028329 TDE= -0.170927 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005114 tlogG= -0.023419 logG= -0.028533 Density= 0.108121 ETOT(band)= -0.116373 trlgG= -0.146247 logG= -0.028533 TDE= -0.171218 logGD-logG0= -0.005246 tlogG= -0.024062 logG= -0.029307 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107632 ETOT(band)= -0.117063 trlgG= -0.147476 logG= -0.029307 TDE= -0.171430 logGD-logG0= -0.005106 tlogG= -0.023939 logG= -0.029045 logGD-logG0= -0.004510 tlogG= -0.024037 logG= -0.028547 Density= 0.108219 ETOT(band)= -0.116610 trlgG= -0.147061 logG= -0.029045 TDE= -0.171569 logGD-logG0= -0.005004 tlogG= -0.022446 logG= -0.027450 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004588 tlogG= -0.023196 logG= -0.027784 Density= 0.106727 ETOT(band)= -0.116616 trlgG= -0.145428 logG= -0.027784 TDE= -0.170458 logGD-logG0= -0.005072 tlogG= -0.022971 logG= -0.028044 Density= 0.108126 ETOT(band)= -0.116103 trlgG= -0.145473 logG= -0.028044 TDE= -0.170935 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108195 ETOT(band)= -0.115730 trlgG= -0.144525 logG= -0.027450 TDE= -0.170615 logGD-logG0= -0.004831 tlogG= -0.022840 logG= -0.027670 Density= 0.107739 ETOT(band)= -0.116086 trlgG= -0.144888 logG= -0.027670 TDE= -0.170533 Density= 0.106379 ETOT(band)= -0.117148 trlgG= -0.146758 logG= -0.028547 TDE= -0.170852 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.022159 logG= -0.027080 Density= 0.108351 ETOT(band)= -0.115424 trlgG= -0.143917 logG= -0.027080 TDE= -0.170454 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001679 tlogG= -0.007301 logG= -0.008980 Density= 0.035841 ETOT(band)= -0.038574 trlgG= -0.047897 logG= -0.008980 TDE= -0.056653 logGD-logG0= -0.005290 tlogG= -0.024121 logG= -0.029411 Density= 0.107801 ETOT(band)= -0.117058 trlgG= -0.147665 logG= -0.029411 TDE= -0.171599 logGD-logG0= -0.002612 tlogG= -0.011982 logG= -0.014594 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005257 tlogG= -0.024075 logG= -0.029333 Density= 0.107877 ETOT(band)= -0.116970 trlgG= -0.147540 logG= -0.029333 TDE= -0.171590 Density= 0.053978 ETOT(band)= -0.058414 trlgG= -0.073649 logG= -0.014594 TDE= -0.085766 logGD-logG0= -0.005254 tlogG= -0.023674 logG= -0.028928 logGD-logG0= -0.005096 tlogG= -0.023594 logG= -0.028690 Density= 0.108194 ETOT(band)= -0.116420 trlgG= -0.146492 logG= -0.028690 TDE= -0.171342 Density= 0.107221 ETOT(band)= -0.116997 trlgG= -0.146807 logG= -0.028928 TDE= -0.170938 logGD-logG0= -0.005197 tlogG= -0.023957 logG= -0.029154 logGD-logG0= -0.005065 tlogG= -0.023204 logG= -0.028270 Density= 0.108185 ETOT(band)= -0.116196 trlgG= -0.145828 logG= -0.028270 TDE= -0.171094 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004675 tlogG= -0.022980 logG= -0.027655 Density= 0.106864 ETOT(band)= -0.116485 trlgG= -0.145166 logG= -0.027655 TDE= -0.170392 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004961 tlogG= -0.024083 logG= -0.029043 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004979 tlogG= -0.022398 logG= -0.027378 Density= 0.107626 ETOT(band)= -0.115957 trlgG= -0.144404 logG= -0.027378 TDE= -0.170285 Density= 0.107369 ETOT(band)= -0.117028 trlgG= -0.147098 logG= -0.029043 TDE= -0.171187 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107434 ETOT(band)= -0.117049 trlgG= -0.147202 logG= -0.029154 TDE= -0.171212 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004645 tlogG= -0.023660 logG= -0.028305 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002446 tlogG= -0.010836 logG= -0.013282 Density= 0.054059 ETOT(band)= -0.057587 trlgG= -0.071523 logG= -0.013282 TDE= -0.084992 logGD-logG0= -0.004797 tlogG= -0.023678 logG= -0.028475 Density= 0.106589 ETOT(band)= -0.116954 trlgG= -0.146342 logG= -0.028305 TDE= -0.170782 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107369 ETOT(band)= -0.116717 trlgG= -0.146357 logG= -0.028475 TDE= -0.171013 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004848 tlogG= -0.024059 logG= -0.028907 Density= 0.107046 ETOT(band)= -0.117089 trlgG= -0.147124 logG= -0.028907 TDE= -0.171189 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005269 tlogG= -0.023187 logG= -0.028455 Density= 0.107673 ETOT(band)= -0.116539 trlgG= -0.146110 logG= -0.028455 TDE= -0.170937 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005243 tlogG= -0.023859 logG= -0.029102 Density= 0.107906 ETOT(band)= -0.116797 trlgG= -0.147155 logG= -0.029102 TDE= -0.171450 logGD-logG0= -0.004708 tlogG= -0.022842 logG= -0.027550 logGD-logG0= -0.005278 tlogG= -0.023893 logG= -0.029171 Density= 0.107741 ETOT(band)= -0.116929 trlgG= -0.147261 logG= -0.029171 TDE= -0.171406 Density= 0.107289 ETOT(band)= -0.116231 trlgG= -0.145014 logG= -0.027550 TDE= -0.170556 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009718 tlogG= -0.048224 logG= -0.057942 Density= 0.214382 ETOT(band)= -0.234137 trlgG= -0.294323 logG= -0.057942 TDE= -0.342468 logGD-logG0= -0.009406 tlogG= -0.045740 logG= -0.055146 Density= 0.215002 ETOT(band)= -0.232295 trlgG= -0.289930 logG= -0.055146 TDE= -0.341178 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009039 tlogG= -0.047614 logG= -0.056653 Density= 0.212907 ETOT(band)= -0.234031 trlgG= -0.292817 logG= -0.056653 TDE= -0.341522 logGD-logG0= -0.005281 tlogG= -0.023568 logG= -0.028849 Density= 0.107790 ETOT(band)= -0.116701 trlgG= -0.146740 logG= -0.028849 TDE= -0.171231 logGD-logG0= -0.005232 tlogG= -0.024047 logG= -0.029279 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107937 ETOT(band)= -0.116903 trlgG= -0.147451 logG= -0.029279 TDE= -0.171585 logGD-logG0= -0.009864 tlogG= -0.047880 logG= -0.057744 Density= 0.213950 ETOT(band)= -0.234176 trlgG= -0.294011 logG= -0.057744 TDE= -0.342139 logGD-logG0= -0.010440 tlogG= -0.047728 logG= -0.058168 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009585 tlogG= -0.047139 logG= -0.056724 Density= 0.213749 ETOT(band)= -0.233731 trlgG= -0.292747 logG= -0.056724 TDE= -0.341796 Density= 0.214738 ETOT(band)= -0.234061 trlgG= -0.294158 logG= -0.058168 TDE= -0.342253 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009358 tlogG= -0.047427 logG= -0.056785 Density= 0.214294 ETOT(band)= -0.233561 trlgG= -0.292877 logG= -0.056785 TDE= -0.342135 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010395 tlogG= -0.048063 logG= -0.058457 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004871 tlogG= -0.021553 logG= -0.026424 Density= 0.108507 ETOT(band)= -0.114873 trlgG= -0.142788 logG= -0.026424 TDE= -0.170059 Density= 0.215051 ETOT(band)= -0.234114 trlgG= -0.294669 logG= -0.058457 TDE= -0.342630 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010243 tlogG= -0.047961 logG= -0.058204 Density= 0.215054 ETOT(band)= -0.233969 trlgG= -0.294252 logG= -0.058204 TDE= -0.342468 logGD-logG0= -0.009789 tlogG= -0.045630 logG= -0.055420 Density= 0.215133 ETOT(band)= -0.232371 trlgG= -0.289923 logG= -0.055420 TDE= -0.340962 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.047997 logG= -0.058472 Density= 0.215088 ETOT(band)= -0.234106 trlgG= -0.294696 logG= -0.058472 TDE= -0.342660 logGD-logG0= -0.010304 tlogG= -0.047768 logG= -0.058072 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214637 ETOT(band)= -0.234055 trlgG= -0.293988 logG= -0.058072 TDE= -0.342130 logGD-logG0= -0.009987 tlogG= -0.048009 logG= -0.057997 Density= 0.214512 ETOT(band)= -0.234084 trlgG= -0.294072 logG= -0.057997 TDE= -0.342227 logGD-logG0= -0.010537 tlogG= -0.047506 logG= -0.058043 logGD-logG0= -0.010103 tlogG= -0.047642 logG= -0.057745 logGD-logG0= -0.001613 tlogG= -0.006988 logG= -0.008601 Density= 0.036194 ETOT(band)= -0.038125 trlgG= -0.047236 logG= -0.008601 TDE= -0.056545 Density= 0.215682 ETOT(band)= -0.233560 trlgG= -0.294041 logG= -0.058043 TDE= -0.342728 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010462 tlogG= -0.047919 logG= -0.058381 Density= 0.213930 ETOT(band)= -0.234163 trlgG= -0.293763 logG= -0.057745 TDE= -0.341882 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215878 ETOT(band)= -0.233677 trlgG= -0.294603 logG= -0.058381 TDE= -0.343049 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010588 tlogG= -0.048128 logG= -0.058716 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215404 ETOT(band)= -0.234131 trlgG= -0.295133 logG= -0.058716 TDE= -0.343010 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010497 tlogG= -0.047404 logG= -0.057902 logGD-logG0= -0.010102 tlogG= -0.046394 logG= -0.056496 Density= 0.215198 ETOT(band)= -0.232934 trlgG= -0.291556 logG= -0.056496 TDE= -0.341552 Density= 0.215449 ETOT(band)= -0.233601 trlgG= -0.293800 logG= -0.057902 TDE= -0.342514 logGD-logG0= -0.010328 tlogG= -0.047292 logG= -0.057621 Density= 0.214242 ETOT(band)= -0.233956 trlgG= -0.293240 logG= -0.057621 TDE= -0.341637 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009713 tlogG= -0.047205 logG= -0.056917 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214459 ETOT(band)= -0.233522 trlgG= -0.292651 logG= -0.056917 TDE= -0.341859 logGD-logG0= -0.010540 tlogG= -0.046861 logG= -0.057401 Density= 0.215411 ETOT(band)= -0.233324 trlgG= -0.293000 logG= -0.057401 TDE= -0.342195 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010517 tlogG= -0.047867 logG= -0.058384 Density= 0.215749 ETOT(band)= -0.233749 trlgG= -0.294605 logG= -0.058384 TDE= -0.342985 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010013 tlogG= -0.047134 logG= -0.057147 Density= 0.215133 ETOT(band)= -0.233335 trlgG= -0.292574 logG= -0.057147 TDE= -0.341885 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004790 tlogG= -0.020978 logG= -0.025768 Density= 0.108703 ETOT(band)= -0.114285 trlgG= -0.141631 logG= -0.025768 TDE= -0.169655 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004976 tlogG= -0.021685 logG= -0.026661 Density= 0.107924 ETOT(band)= -0.115336 trlgG= -0.143220 logG= -0.026661 TDE= -0.169965 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001268 tlogG= -0.005936 logG= -0.007205 Density= 0.080825 ETOT(band)= -0.087645 trlgG= -0.110339 logG= -0.007205 TDE= -0.042863 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001264 tlogG= -0.005853 logG= -0.007117 Density= 0.080641 ETOT(band)= -0.087610 trlgG= -0.110142 logG= -0.007117 TDE= -0.042809 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005145 tlogG= -0.023945 logG= -0.029090 Density= 0.216371 ETOT(band)= -0.233227 trlgG= -0.294051 logG= -0.029090 TDE= -0.171557 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.021808 logG= -0.026844 Density= 0.107781 ETOT(band)= -0.115529 trlgG= -0.143529 logG= -0.026844 TDE= -0.170021 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009369 tlogG= -0.046696 logG= -0.056065 Density= 0.427859 ETOT(band)= -0.466118 trlgG= -0.581713 logG= -0.056065 TDE= -0.341196 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009569 tlogG= -0.047634 logG= -0.057203 Density= 0.426634 ETOT(band)= -0.468358 trlgG= -0.586847 logG= -0.057203 TDE= -0.341774 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009523 tlogG= -0.047753 logG= -0.057276 Density= 0.427138 ETOT(band)= -0.467908 trlgG= -0.585699 logG= -0.057276 TDE= -0.341476 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009892 tlogG= -0.044603 logG= -0.054495 Density= 0.324264 ETOT(band)= -0.346665 trlgG= -0.431858 logG= -0.054495 TDE= -0.340757 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009741 tlogG= -0.044605 logG= -0.054346 Density= 0.431578 ETOT(band)= -0.462069 trlgG= -0.574607 logG= -0.054346 TDE= -0.340393 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001420 tlogG= -0.007962 logG= -0.009382 Density= 0.070861 ETOT(band)= -0.077948 trlgG= -0.097431 logG= -0.009382 TDE= -0.056958 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001249 tlogG= -0.005745 logG= -0.006994 Density= 0.080630 ETOT(band)= -0.087394 trlgG= -0.109586 logG= -0.006994 TDE= -0.042744 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001228 tlogG= -0.005617 logG= -0.006845 Density= 0.080832 ETOT(band)= -0.086965 trlgG= -0.108583 logG= -0.006845 TDE= -0.042667 logGD-logG0= -0.004450 tlogG= -0.023577 logG= -0.028027 Density= 0.212602 ETOT(band)= -0.233988 trlgG= -0.292672 logG= -0.028027 TDE= -0.170683 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004563 tlogG= -0.023881 logG= -0.028445 logGD-logG0= -0.001178 tlogG= -0.005168 logG= -0.006346 Density= 0.062536 ETOT(band)= -0.067543 trlgG= -0.084189 logG= -0.006346 TDE= -0.042357 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.213263 ETOT(band)= -0.233856 trlgG= -0.292428 logG= -0.028445 TDE= -0.170771 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001559 tlogG= -0.007585 logG= -0.009145 Density= 0.071492 ETOT(band)= -0.077345 trlgG= -0.096133 logG= -0.009145 TDE= -0.056733 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001267 tlogG= -0.005981 logG= -0.007248 Density= 0.081054 ETOT(band)= -0.087547 trlgG= -0.110392 logG= -0.007248 TDE= -0.042893 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005188 tlogG= -0.023990 logG= -0.029178 Density= 0.215667 ETOT(band)= -0.233850 trlgG= -0.294759 logG= -0.029178 TDE= -0.171566 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005222 tlogG= -0.023788 logG= -0.029010 Density= 0.215315 ETOT(band)= -0.233756 trlgG= -0.294105 logG= -0.029010 TDE= -0.171414 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004877 tlogG= -0.023874 logG= -0.028751 Density= 0.213769 ETOT(band)= -0.234004 trlgG= -0.292939 logG= -0.028751 TDE= -0.170781 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005144 tlogG= -0.022957 logG= -0.028100 Density= 0.216208 ETOT(band)= -0.232076 trlgG= -0.290523 logG= -0.028100 TDE= -0.170890 logGD-logG0= -0.005213 tlogG= -0.023473 logG= -0.028687 Density= 0.215197 ETOT(band)= -0.233321 trlgG= -0.292841 logG= -0.028687 TDE= -0.171157 logGD-logG0= -0.004734 tlogG= -0.023996 logG= -0.028730 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005152 tlogG= -0.023988 logG= -0.029140 Density= 0.216337 ETOT(band)= -0.233331 trlgG= -0.294283 logG= -0.029140 TDE= -0.171584 logGD-logG0= -0.004797 tlogG= -0.023826 logG= -0.028622 Density= 0.213554 ETOT(band)= -0.234142 trlgG= -0.293675 logG= -0.028622 TDE= -0.171037 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321538 ETOT(band)= -0.351099 trlgG= -0.441241 logG= -0.028730 TDE= -0.171214 logGD-logG0= -0.004261 tlogG= -0.024122 logG= -0.028383 Density= 0.212154 ETOT(band)= -0.234369 trlgG= -0.293620 logG= -0.028383 TDE= -0.170966 logGD-logG0= -0.001196 tlogG= -0.005304 logG= -0.006501 Density= 0.081553 ETOT(band)= -0.085684 trlgG= -0.106186 logG= -0.006501 TDE= -0.042459 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004646 tlogG= -0.023357 logG= -0.028003 logGD-logG0= -0.005281 tlogG= -0.024110 logG= -0.029392 logGD-logG0= -0.010333 tlogG= -0.047763 logG= -0.058097 Density= 0.215700 ETOT(band)= -0.234005 trlgG= -0.295174 logG= -0.029392 TDE= -0.171599 Density= 0.321610 ETOT(band)= -0.350050 trlgG= -0.438663 logG= -0.028003 TDE= -0.170889 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324323 ETOT(band)= -0.349902 trlgG= -0.440923 logG= -0.058097 TDE= -0.343008 logGD-logG0= -0.005037 tlogG= -0.023835 logG= -0.028872 logGD-logG0= -0.005130 tlogG= -0.023186 logG= -0.028316 Density= 0.214850 ETOT(band)= -0.232948 trlgG= -0.291155 logG= -0.028316 TDE= -0.170607 Density= 0.215477 ETOT(band)= -0.233751 trlgG= -0.294209 logG= -0.028872 TDE= -0.171102 logGD-logG0= -0.004394 tlogG= -0.023731 logG= -0.028125 Density= 0.213070 ETOT(band)= -0.233580 trlgG= -0.291697 logG= -0.028125 TDE= -0.170768 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.024152 logG= -0.029158 logGD-logG0= -0.004614 tlogG= -0.023360 logG= -0.027974 Density= 0.322412 ETOT(band)= -0.351211 trlgG= -0.441919 logG= -0.029158 TDE= -0.171220 Density= 0.214167 ETOT(band)= -0.233366 trlgG= -0.292270 logG= -0.027974 TDE= -0.170897 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001570 tlogG= -0.006870 logG= -0.008440 logGD-logG0= -0.005040 tlogG= -0.023947 logG= -0.028986 logGD-logG0= -0.005081 tlogG= -0.022429 logG= -0.027510 Density= 0.216354 ETOT(band)= -0.231278 trlgG= -0.288538 logG= -0.027510 TDE= -0.170556 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214321 ETOT(band)= -0.234089 trlgG= -0.293847 logG= -0.028986 TDE= -0.171052 Density= 0.040846 ETOT(band)= -0.042672 trlgG= -0.052785 logG= -0.008440 TDE= -0.056459 logGD-logG0= -0.004538 tlogG= -0.023964 logG= -0.028501 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212790 ETOT(band)= -0.234266 trlgG= -0.293421 logG= -0.028501 TDE= -0.170820 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005172 tlogG= -0.023404 logG= -0.028575 Density= 0.216180 ETOT(band)= -0.232650 trlgG= -0.292139 logG= -0.028575 TDE= -0.171177 logGD-logG0= -0.010380 tlogG= -0.047212 logG= -0.057592 logGD-logG0= -0.010100 tlogG= -0.045611 logG= -0.055711 Density= 0.324020 ETOT(band)= -0.347935 trlgG= -0.434870 logG= -0.055711 TDE= -0.341435 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324106 ETOT(band)= -0.349535 trlgG= -0.439575 logG= -0.057592 TDE= -0.342616 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005165 tlogG= -0.023750 logG= -0.028915 logGD-logG0= -0.004980 tlogG= -0.024147 logG= -0.029127 Density= 0.214722 ETOT(band)= -0.234161 trlgG= -0.294462 logG= -0.029127 TDE= -0.171225 Density= 0.216260 ETOT(band)= -0.233029 trlgG= -0.293346 logG= -0.028915 TDE= -0.171416 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009607 tlogG= -0.046585 logG= -0.056192 logGD-logG0= -0.005330 tlogG= -0.023886 logG= -0.029216 Density= 0.215627 ETOT(band)= -0.233752 trlgG= -0.294487 logG= -0.029216 TDE= -0.171422 Density= 0.322680 ETOT(band)= -0.349004 trlgG= -0.436304 logG= -0.056192 TDE= -0.341588 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010377 tlogG= -0.046392 logG= -0.056769 Density= 0.323971 ETOT(band)= -0.348879 trlgG= -0.437489 logG= -0.056769 TDE= -0.342059 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005210 tlogG= -0.024075 logG= -0.029285 logGD-logG0= -0.005314 tlogG= -0.023946 logG= -0.029260 logGD-logG0= -0.004702 tlogG= -0.023996 logG= -0.028698 Density= 0.214102 ETOT(band)= -0.234080 trlgG= -0.294064 logG= -0.028698 TDE= -0.171219 Density= 0.323033 ETOT(band)= -0.351183 trlgG= -0.442570 logG= -0.029285 TDE= -0.171412 logGD-logG0= -0.004745 tlogG= -0.023234 logG= -0.027979 Density= 0.213482 ETOT(band)= -0.233609 trlgG= -0.292158 logG= -0.027979 TDE= -0.170733 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323633 ETOT(band)= -0.350647 trlgG= -0.442011 logG= -0.029260 TDE= -0.171471 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010615 tlogG= -0.048020 logG= -0.058635 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323218 ETOT(band)= -0.350975 trlgG= -0.442266 logG= -0.058635 TDE= -0.343000 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004928 tlogG= -0.022897 logG= -0.027825 Density= 0.214780 ETOT(band)= -0.232394 trlgG= -0.289624 logG= -0.027825 TDE= -0.170420 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004991 tlogG= -0.023235 logG= -0.028226 Density= 0.321675 ETOT(band)= -0.350557 trlgG= -0.439516 logG= -0.028226 TDE= -0.170844 logGD-logG0= -0.009564 tlogG= -0.047819 logG= -0.057383 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010067 tlogG= -0.048128 logG= -0.058195 Density= 0.429262 ETOT(band)= -0.468255 trlgG= -0.588486 logG= -0.058195 TDE= -0.342290 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427999 ETOT(band)= -0.468144 trlgG= -0.587714 logG= -0.057383 TDE= -0.342243 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005396 tlogG= -0.023346 logG= -0.028742 logGD-logG0= -0.008879 tlogG= -0.048078 logG= -0.056956 Density= 0.215088 ETOT(band)= -0.233347 trlgG= -0.292649 logG= -0.028742 TDE= -0.170951 Density= 0.425498 ETOT(band)= -0.468331 trlgG= -0.586329 logG= -0.056956 TDE= -0.341755 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005378 tlogG= -0.023672 logG= -0.029050 Density= 0.215389 ETOT(band)= -0.233605 trlgG= -0.293789 logG= -0.029050 TDE= -0.171245 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009427 tlogG= -0.046587 logG= -0.056014 Density= 0.428062 ETOT(band)= -0.466840 trlgG= -0.584320 logG= -0.056014 TDE= -0.341612 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010685 tlogG= -0.047669 logG= -0.058355 Density= 0.431054 ETOT(band)= -0.467454 trlgG= -0.588572 logG= -0.058355 TDE= -0.342753 logGD-logG0= -0.010236 tlogG= -0.047937 logG= -0.058172 logGD-logG0= -0.010176 tlogG= -0.047649 logG= -0.057826 Density= 0.428252 ETOT(band)= -0.468128 trlgG= -0.587047 logG= -0.057826 TDE= -0.341884 Density= 0.429165 ETOT(band)= -0.468217 trlgG= -0.588131 logG= -0.058172 TDE= -0.342129 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.048202 logG= -0.058402 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429998 ETOT(band)= -0.468259 trlgG= -0.589253 logG= -0.058402 TDE= -0.342504 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010410 tlogG= -0.048052 logG= -0.058462 logGD-logG0= -0.004872 tlogG= -0.021290 logG= -0.026162 Density= 0.430104 ETOT(band)= -0.468089 trlgG= -0.588925 logG= -0.058462 TDE= -0.342629 Density= 0.162637 ETOT(band)= -0.172980 trlgG= -0.215868 logG= -0.026162 TDE= -0.169871 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010239 tlogG= -0.046911 logG= -0.057150 Density= 0.429843 ETOT(band)= -0.466462 trlgG= -0.584087 logG= -0.057150 TDE= -0.341597 logGD-logG0= -0.010578 tlogG= -0.047711 logG= -0.058289 Density= 0.430712 ETOT(band)= -0.467512 trlgG= -0.588212 logG= -0.058289 TDE= -0.342646 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009856 tlogG= -0.046380 logG= -0.056236 Density= 0.429497 ETOT(band)= -0.465547 trlgG= -0.581389 logG= -0.056236 TDE= -0.341308 logGD-logG0= -0.009740 tlogG= -0.047833 logG= -0.057573 Density= 0.429098 ETOT(band)= -0.467919 trlgG= -0.587688 logG= -0.057573 TDE= -0.342230 logGD-logG0= -0.001216 tlogG= -0.005465 logG= -0.006681 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.081195 ETOT(band)= -0.086352 trlgG= -0.107345 logG= -0.006681 TDE= -0.042570 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010637 tlogG= -0.047250 logG= -0.057887 Density= 0.430443 ETOT(band)= -0.467088 trlgG= -0.586741 logG= -0.057887 TDE= -0.342262 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009921 tlogG= -0.047539 logG= -0.057459 Density= 0.428570 ETOT(band)= -0.467472 trlgG= -0.586086 logG= -0.057459 TDE= -0.341929 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004798 tlogG= -0.022317 logG= -0.027115 logGD-logG0= -0.010610 tlogG= -0.047995 logG= -0.058604 Density= 0.322849 ETOT(band)= -0.347972 trlgG= -0.433914 logG= -0.027115 TDE= -0.170237 Density= 0.431294 ETOT(band)= -0.467737 trlgG= -0.589565 logG= -0.058604 TDE= -0.343018 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005044 tlogG= -0.021869 logG= -0.026912 Density= 0.216613 ETOT(band)= -0.230279 trlgG= -0.286420 logG= -0.026912 TDE= -0.170216 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010163 tlogG= -0.047551 logG= -0.057714 Density= 0.429972 ETOT(band)= -0.467109 trlgG= -0.586017 logG= -0.057714 TDE= -0.342043 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001681 tlogG= -0.007113 logG= -0.008794 logGD-logG0= -0.004911 tlogG= -0.022282 logG= -0.027193 Density= 0.072225 ETOT(band)= -0.076477 trlgG= -0.094820 logG= -0.008794 TDE= -0.056620 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214245 ETOT(band)= -0.232435 trlgG= -0.289377 logG= -0.027193 TDE= -0.170156 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004757 tlogG= -0.022317 logG= -0.027074 Density= 0.215013 ETOT(band)= -0.231946 trlgG= -0.289024 logG= -0.027074 TDE= -0.170243 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004955 tlogG= -0.021340 logG= -0.026294 Density= 0.217007 ETOT(band)= -0.229171 trlgG= -0.284216 logG= -0.026294 TDE= -0.169884 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004913 tlogG= -0.021195 logG= -0.026108 Density= 0.216332 ETOT(band)= -0.230032 trlgG= -0.285473 logG= -0.026108 TDE= -0.169791 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004878 tlogG= -0.022464 logG= -0.027342 Density= 0.215007 ETOT(band)= -0.231657 trlgG= -0.287980 logG= -0.027342 TDE= -0.170169 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.811379768400 eV TrLogG= -407.166517610819 eV Ratio to renormalize= 1.000113433400 rho-rho_expected=-0.002495251764 nargs= 1 argi=dmft2.def 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 45) Finished k-point number 92 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 47) Finished k-point number 96 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 26) Finished k-point number 54 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 29) Finished k-point number 60 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 61) Finished k-point number 124 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 77) Finished k-point number 156 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 63) Finished k-point number 128 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964644684073137 0.940377151254585 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002565 tlogG= -0.011984 logG= -0.014548 Density= 0.054162 ETOT(band)= -0.058286 trlgG= -0.073545 logG= -0.014548 TDE= -0.085799 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002634 tlogG= -0.011988 logG= -0.014621 Density= 0.054007 ETOT(band)= -0.058407 trlgG= -0.073666 logG= -0.014621 TDE= -0.085770 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023605 logG= -0.028744 logGD-logG0= -0.005136 tlogG= -0.023871 logG= -0.029008 Density= 0.108251 ETOT(band)= -0.116407 trlgG= -0.146526 logG= -0.028744 TDE= -0.171349 Density= 0.108297 ETOT(band)= -0.116533 trlgG= -0.146946 logG= -0.029008 TDE= -0.171529 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 logGD-logG0= -0.002608 tlogG= -0.012032 logG= -0.014640 Density= 0.053786 ETOT(band)= -0.058524 trlgG= -0.073682 logG= -0.014640 TDE= -0.085658 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009774 tlogG= -0.045590 logG= -0.055364 logGD-logG0= -0.001489 tlogG= -0.007811 logG= -0.009301 Density= 0.214455 ETOT(band)= -0.232621 trlgG= -0.290179 logG= -0.055364 TDE= -0.340938 logGD-logG0= -0.002331 tlogG= -0.011883 logG= -0.014214 Density= 0.053585 ETOT(band)= -0.058392 trlgG= -0.073263 logG= -0.014214 TDE= -0.085565 Density= 0.035507 ETOT(band)= -0.038919 trlgG= -0.048606 logG= -0.009301 TDE= -0.056876 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001408 tlogG= -0.008044 logG= -0.009453 Density= 0.035328 ETOT(band)= -0.039070 trlgG= -0.048970 logG= -0.009453 TDE= -0.057000 logGD-logG0= -0.009558 tlogG= -0.047932 logG= -0.057490 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213365 ETOT(band)= -0.234212 trlgG= -0.293531 logG= -0.057490 TDE= -0.341625 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009130 tlogG= -0.047632 logG= -0.056761 logGD-logG0= -0.002338 tlogG= -0.011448 logG= -0.013786 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053760 ETOT(band)= -0.058061 trlgG= -0.072499 logG= -0.013786 TDE= -0.085316 logGD-logG0= -0.009832 tlogG= -0.047156 logG= -0.056988 Density= 0.213017 ETOT(band)= -0.234003 trlgG= -0.292888 logG= -0.056761 TDE= -0.341538 Density= 0.213870 ETOT(band)= -0.233748 trlgG= -0.292608 logG= -0.056988 TDE= -0.341454 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.012082 logG= -0.014508 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053607 ETOT(band)= -0.058535 trlgG= -0.073625 logG= -0.014508 TDE= -0.085645 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024071 logG= -0.029362 Density= 0.107690 ETOT(band)= -0.117049 trlgG= -0.147510 logG= -0.029362 TDE= -0.171438 logGD-logG0= -0.005162 tlogG= -0.023763 logG= -0.028926 logGD-logG0= -0.005116 tlogG= -0.022982 logG= -0.028098 Density= 0.108182 ETOT(band)= -0.116091 trlgG= -0.145507 logG= -0.028098 TDE= -0.170943 Density= 0.108225 ETOT(band)= -0.116522 trlgG= -0.146817 logG= -0.028926 TDE= -0.171446 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023950 logG= -0.029099 Density= 0.108276 ETOT(band)= -0.116597 trlgG= -0.147095 logG= -0.029099 TDE= -0.171577 logGD-logG0= -0.005158 tlogG= -0.023430 logG= -0.028588 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108178 ETOT(band)= -0.116360 trlgG= -0.146281 logG= -0.028588 TDE= -0.171225 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.022457 logG= -0.027505 Density= 0.108250 ETOT(band)= -0.115718 trlgG= -0.144560 logG= -0.027505 TDE= -0.170622 logGD-logG0= -0.004359 tlogG= -0.023974 logG= -0.028333 logGD-logG0= -0.004966 tlogG= -0.022169 logG= -0.027135 Density= 0.108406 ETOT(band)= -0.115413 trlgG= -0.143953 logG= -0.027135 TDE= -0.170462 logGD-logG0= -0.004633 tlogG= -0.023205 logG= -0.027838 Density= 0.106782 ETOT(band)= -0.116603 trlgG= -0.145464 logG= -0.027838 TDE= -0.170466 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004555 tlogG= -0.024046 logG= -0.028601 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106215 ETOT(band)= -0.117102 trlgG= -0.146670 logG= -0.028333 TDE= -0.170898 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106434 ETOT(band)= -0.117134 trlgG= -0.146792 logG= -0.028601 TDE= -0.170860 logGD-logG0= -0.005300 tlogG= -0.024087 logG= -0.029387 Density= 0.107935 ETOT(band)= -0.116957 trlgG= -0.147574 logG= -0.029387 TDE= -0.171598 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.024133 logG= -0.029466 Density= 0.107859 ETOT(band)= -0.117045 trlgG= -0.147699 logG= -0.029466 TDE= -0.171607 logGD-logG0= -0.005241 tlogG= -0.023967 logG= -0.029208 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107491 ETOT(band)= -0.117035 trlgG= -0.147236 logG= -0.029208 TDE= -0.171221 logGD-logG0= -0.005009 tlogG= -0.023643 logG= -0.028652 logGD-logG0= -0.005298 tlogG= -0.023684 logG= -0.028982 Density= 0.107278 ETOT(band)= -0.116983 trlgG= -0.146841 logG= -0.028982 TDE= -0.170946 Density= 0.107024 ETOT(band)= -0.116912 trlgG= -0.146291 logG= -0.028652 TDE= -0.170600 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024093 logG= -0.029098 logGD-logG0= -0.005323 tlogG= -0.023902 logG= -0.029225 Density= 0.107426 ETOT(band)= -0.117014 trlgG= -0.147132 logG= -0.029098 TDE= -0.171194 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004720 tlogG= -0.022989 logG= -0.027709 Density= 0.106918 ETOT(band)= -0.116472 trlgG= -0.145201 logG= -0.027709 TDE= -0.170400 Density= 0.107799 ETOT(band)= -0.116915 trlgG= -0.147295 logG= -0.029225 TDE= -0.171414 logGD-logG0= -0.005123 tlogG= -0.022875 logG= -0.027998 logGD-logG0= -0.004876 tlogG= -0.022850 logG= -0.027725 logGD-logG0= -0.005109 tlogG= -0.023215 logG= -0.028324 Density= 0.108241 ETOT(band)= -0.116184 trlgG= -0.145863 logG= -0.028324 TDE= -0.171102 Density= 0.107794 ETOT(band)= -0.116074 trlgG= -0.144924 logG= -0.027725 TDE= -0.170540 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.023669 logG= -0.028359 Density= 0.106643 ETOT(band)= -0.116940 trlgG= -0.146377 logG= -0.028359 TDE= -0.170791 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107662 ETOT(band)= -0.116278 trlgG= -0.145335 logG= -0.027998 TDE= -0.170614 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004720 tlogG= -0.023686 logG= -0.028406 Density= 0.107022 ETOT(band)= -0.116823 trlgG= -0.146482 logG= -0.028406 TDE= -0.171036 logGD-logG0= -0.005044 tlogG= -0.022734 logG= -0.027777 Density= 0.108295 ETOT(band)= -0.115855 trlgG= -0.144996 logG= -0.027777 TDE= -0.170809 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023500 logG= -0.028245 Density= 0.106819 ETOT(band)= -0.116793 trlgG= -0.145948 logG= -0.028245 TDE= -0.170562 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022408 logG= -0.027432 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.023893 logG= -0.028807 Density= 0.106803 ETOT(band)= -0.117094 trlgG= -0.146904 logG= -0.028807 TDE= -0.170948 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107680 ETOT(band)= -0.115945 trlgG= -0.144440 logG= -0.027432 TDE= -0.170293 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005314 tlogG= -0.023196 logG= -0.028510 Density= 0.107730 ETOT(band)= -0.116526 trlgG= -0.146145 logG= -0.028510 TDE= -0.170945 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022852 logG= -0.027604 logGD-logG0= -0.004842 tlogG= -0.023688 logG= -0.028530 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107343 ETOT(band)= -0.116219 trlgG= -0.145050 logG= -0.027604 TDE= -0.170564 Density= 0.107425 ETOT(band)= -0.116704 trlgG= -0.146391 logG= -0.028530 TDE= -0.171020 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009807 tlogG= -0.048244 logG= -0.058051 Density= 0.214495 ETOT(band)= -0.234109 trlgG= -0.294391 logG= -0.058051 TDE= -0.342484 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009495 tlogG= -0.045760 logG= -0.055255 logGD-logG0= -0.005324 tlogG= -0.023579 logG= -0.028903 Density= 0.215111 ETOT(band)= -0.232271 trlgG= -0.290001 logG= -0.055255 TDE= -0.341194 logGD-logG0= -0.005286 tlogG= -0.023870 logG= -0.029156 Density= 0.107963 ETOT(band)= -0.116783 trlgG= -0.147188 logG= -0.029156 TDE= -0.171458 Density= 0.107847 ETOT(band)= -0.116687 trlgG= -0.146774 logG= -0.028903 TDE= -0.171239 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009673 tlogG= -0.047159 logG= -0.056832 Density= 0.213859 ETOT(band)= -0.233704 trlgG= -0.292816 logG= -0.056832 TDE= -0.341812 logGD-logG0= -0.009952 tlogG= -0.047900 logG= -0.057853 Density= 0.214062 ETOT(band)= -0.234148 trlgG= -0.294080 logG= -0.057853 TDE= -0.342156 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024058 logG= -0.029333 logGD-logG0= -0.010332 tlogG= -0.047981 logG= -0.058312 Density= 0.107995 ETOT(band)= -0.116889 trlgG= -0.147485 logG= -0.029333 TDE= -0.171593 logGD-logG0= -0.004892 tlogG= -0.024069 logG= -0.028961 Density= 0.215169 ETOT(band)= -0.233942 trlgG= -0.294320 logG= -0.058312 TDE= -0.342484 Density= 0.107103 ETOT(band)= -0.117076 trlgG= -0.147158 logG= -0.028961 TDE= -0.171197 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010565 tlogG= -0.048016 logG= -0.058581 logGD-logG0= -0.009446 tlogG= -0.047447 logG= -0.056894 Density= 0.215203 ETOT(band)= -0.234078 trlgG= -0.294764 logG= -0.058581 TDE= -0.342676 logGD-logG0= -0.010483 tlogG= -0.048082 logG= -0.058566 Density= 0.215167 ETOT(band)= -0.234087 trlgG= -0.294736 logG= -0.058566 TDE= -0.342646 Density= 0.214405 ETOT(band)= -0.233535 trlgG= -0.292947 logG= -0.056894 TDE= -0.342151 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010426 logG= -0.012835 Density= 0.054401 ETOT(band)= -0.057064 trlgG= -0.070694 logG= -0.012835 TDE= -0.084780 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010528 tlogG= -0.047748 logG= -0.058276 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214852 ETOT(band)= -0.234033 trlgG= -0.294226 logG= -0.058276 TDE= -0.342269 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001694 tlogG= -0.007305 logG= -0.008998 logGD-logG0= -0.001628 tlogG= -0.006992 logG= -0.008620 Density= 0.036211 ETOT(band)= -0.038121 trlgG= -0.047248 logG= -0.008620 TDE= -0.056548 logGD-logG0= -0.010076 tlogG= -0.048029 logG= -0.058105 logGD-logG0= -0.009879 tlogG= -0.045650 logG= -0.055529 Density= 0.215243 ETOT(band)= -0.232346 trlgG= -0.289993 logG= -0.055529 TDE= -0.340977 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010393 tlogG= -0.047787 logG= -0.058180 Density= 0.214751 ETOT(band)= -0.234027 trlgG= -0.294057 logG= -0.058180 TDE= -0.342146 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.214626 ETOT(band)= -0.234056 trlgG= -0.294140 logG= -0.058105 TDE= -0.342243 logGD-logG0= -0.010192 tlogG= -0.047661 logG= -0.057853 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004332 tlogG= -0.024051 logG= -0.028383 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106163 ETOT(band)= -0.117146 trlgG= -0.146784 logG= -0.028383 TDE= -0.170935 Density= 0.214043 ETOT(band)= -0.234135 trlgG= -0.293832 logG= -0.057853 TDE= -0.341898 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035859 ETOT(band)= -0.038570 trlgG= -0.047909 logG= -0.008998 TDE= -0.056655 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010623 tlogG= -0.047528 logG= -0.058151 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215797 ETOT(band)= -0.233534 trlgG= -0.294108 logG= -0.058151 TDE= -0.342744 logGD-logG0= -0.010548 tlogG= -0.047941 logG= -0.058489 logGD-logG0= -0.010678 tlogG= -0.048147 logG= -0.058824 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215993 ETOT(band)= -0.233650 trlgG= -0.294670 logG= -0.058489 TDE= -0.343065 Density= 0.215520 ETOT(band)= -0.234103 trlgG= -0.295201 logG= -0.058824 TDE= -0.343026 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.047310 logG= -0.057729 Density= 0.214356 ETOT(band)= -0.233928 trlgG= -0.293308 logG= -0.057729 TDE= -0.341653 logGD-logG0= -0.010191 tlogG= -0.046413 logG= -0.056604 logGD-logG0= -0.010587 tlogG= -0.047423 logG= -0.058010 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215564 ETOT(band)= -0.233574 trlgG= -0.293868 logG= -0.058010 TDE= -0.342530 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215310 ETOT(band)= -0.232908 trlgG= -0.291626 logG= -0.056604 TDE= -0.341567 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010603 tlogG= -0.047890 logG= -0.058492 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215865 ETOT(band)= -0.233722 trlgG= -0.294673 logG= -0.058492 TDE= -0.343001 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009801 tlogG= -0.047225 logG= -0.057026 logGD-logG0= -0.010630 tlogG= -0.046880 logG= -0.057510 Density= 0.214571 ETOT(band)= -0.233496 trlgG= -0.292720 logG= -0.057026 TDE= -0.341875 Density= 0.215525 ETOT(band)= -0.233298 trlgG= -0.293068 logG= -0.057510 TDE= -0.342211 logGD-logG0= -0.010103 tlogG= -0.047153 logG= -0.057256 Density= 0.215246 ETOT(band)= -0.233309 trlgG= -0.292642 logG= -0.057256 TDE= -0.341901 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002469 tlogG= -0.010841 logG= -0.013310 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054086 ETOT(band)= -0.057582 trlgG= -0.071540 logG= -0.013310 TDE= -0.084995 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021875 logG= -0.026876 logGD-logG0= -0.004915 tlogG= -0.021564 logG= -0.026479 Density= 0.108561 ETOT(band)= -0.114862 trlgG= -0.142824 logG= -0.026479 TDE= -0.170066 Density= 0.108370 ETOT(band)= -0.115228 trlgG= -0.143503 logG= -0.026876 TDE= -0.170255 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005080 tlogG= -0.021818 logG= -0.026898 Density= 0.107835 ETOT(band)= -0.115518 trlgG= -0.143565 logG= -0.026898 TDE= -0.170029 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005021 tlogG= -0.021695 logG= -0.026716 logGD-logG0= -0.010037 tlogG= -0.043390 logG= -0.053427 Density= 0.216371 ETOT(band)= -0.230439 trlgG= -0.286487 logG= -0.053427 TDE= -0.340131 Density= 0.107978 ETOT(band)= -0.115325 trlgG= -0.143255 logG= -0.026716 TDE= -0.169973 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004835 tlogG= -0.020989 logG= -0.025823 Density= 0.108757 ETOT(band)= -0.114275 trlgG= -0.141667 logG= -0.025823 TDE= -0.169662 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001278 tlogG= -0.005984 logG= -0.007261 Density= 0.081097 ETOT(band)= -0.087537 trlgG= -0.110417 logG= -0.007261 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005939 logG= -0.007218 Density= 0.080868 ETOT(band)= -0.087635 trlgG= -0.110364 logG= -0.007218 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005748 logG= -0.007008 Density= 0.080671 ETOT(band)= -0.087385 trlgG= -0.109613 logG= -0.007008 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005619 logG= -0.006859 Density= 0.080872 ETOT(band)= -0.086956 trlgG= -0.108610 logG= -0.006859 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005855 logG= -0.007130 logGD-logG0= -0.005231 tlogG= -0.024001 logG= -0.029232 logGD-logG0= -0.005188 tlogG= -0.023956 logG= -0.029144 Density= 0.216486 ETOT(band)= -0.233201 trlgG= -0.294118 logG= -0.029144 TDE= -0.171565 Density= 0.215783 ETOT(band)= -0.233822 trlgG= -0.294827 logG= -0.029232 TDE= -0.171574 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080684 ETOT(band)= -0.087600 trlgG= -0.110167 logG= -0.007130 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005208 tlogG= -0.023762 logG= -0.028970 Density= 0.216375 ETOT(band)= -0.233003 trlgG= -0.293414 logG= -0.028970 TDE= -0.171424 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.007965 logG= -0.009400 Density= 0.070897 ETOT(band)= -0.077939 trlgG= -0.097454 logG= -0.009400 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.024006 logG= -0.028784 Density= 0.321707 ETOT(band)= -0.351058 trlgG= -0.441344 logG= -0.028784 TDE= -0.171222 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009460 tlogG= -0.046713 logG= -0.056173 Density= 0.428077 ETOT(band)= -0.466066 trlgG= -0.581854 logG= -0.056173 TDE= -0.341212 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023999 logG= -0.029194 logGD-logG0= -0.005265 tlogG= -0.023799 logG= -0.029064 Density= 0.216452 ETOT(band)= -0.233305 trlgG= -0.294350 logG= -0.029194 TDE= -0.171592 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215430 ETOT(band)= -0.233729 trlgG= -0.294172 logG= -0.029064 TDE= -0.171422 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024122 logG= -0.029446 Density= 0.215815 ETOT(band)= -0.233978 trlgG= -0.295242 logG= -0.029446 TDE= -0.171607 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.021301 logG= -0.026217 Density= 0.162720 ETOT(band)= -0.172963 trlgG= -0.215921 logG= -0.026217 TDE= -0.169878 logGD-logG0= -0.009660 tlogG= -0.047651 logG= -0.057311 Density= 0.426857 ETOT(band)= -0.468302 trlgG= -0.586986 logG= -0.057311 TDE= -0.341790 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005258 tlogG= -0.023483 logG= -0.028741 Density= 0.215310 ETOT(band)= -0.233294 trlgG= -0.292910 logG= -0.028741 TDE= -0.171165 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.024162 logG= -0.029212 Density= 0.322584 ETOT(band)= -0.351170 trlgG= -0.442021 logG= -0.029212 TDE= -0.171228 logGD-logG0= -0.004439 tlogG= -0.023740 logG= -0.028179 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213178 ETOT(band)= -0.233554 trlgG= -0.291768 logG= -0.028179 TDE= -0.170776 logGD-logG0= -0.004690 tlogG= -0.023367 logG= -0.028058 Density= 0.321776 ETOT(band)= -0.350011 trlgG= -0.438768 logG= -0.028058 TDE= -0.170897 logGD-logG0= -0.005126 tlogG= -0.022439 logG= -0.027565 Density= 0.216464 ETOT(band)= -0.231255 trlgG= -0.288609 logG= -0.027565 TDE= -0.170564 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023957 logG= -0.029040 Density= 0.214434 ETOT(band)= -0.234061 trlgG= -0.293915 logG= -0.029040 TDE= -0.171060 logGD-logG0= -0.010419 tlogG= -0.047786 logG= -0.058205 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324496 ETOT(band)= -0.349863 trlgG= -0.441024 logG= -0.058205 TDE= -0.343024 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.024157 logG= -0.029181 logGD-logG0= -0.009614 tlogG= -0.047770 logG= -0.057384 Density= 0.427361 ETOT(band)= -0.467852 trlgG= -0.585838 logG= -0.057384 TDE= -0.341492 logGD-logG0= -0.001189 tlogG= -0.005171 logG= -0.006360 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214836 ETOT(band)= -0.234133 trlgG= -0.294530 logG= -0.029181 TDE= -0.171233 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.062568 ETOT(band)= -0.067536 trlgG= -0.084209 logG= -0.006360 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004495 tlogG= -0.023586 logG= -0.028081 Density= 0.212711 ETOT(band)= -0.233961 trlgG= -0.292743 logG= -0.028081 TDE= -0.170691 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004583 tlogG= -0.023973 logG= -0.028556 Density= 0.212900 ETOT(band)= -0.234238 trlgG= -0.293491 logG= -0.028556 TDE= -0.170828 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.023883 logG= -0.028805 logGD-logG0= -0.004609 tlogG= -0.023890 logG= -0.028499 Density= 0.213374 ETOT(band)= -0.233829 trlgG= -0.292498 logG= -0.028499 TDE= -0.170780 Density= 0.213881 ETOT(band)= -0.233976 trlgG= -0.293008 logG= -0.028805 TDE= -0.170789 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023415 logG= -0.028629 Density= 0.216293 ETOT(band)= -0.232624 trlgG= -0.292208 logG= -0.028629 TDE= -0.171185 logGD-logG0= -0.010703 tlogG= -0.048040 logG= -0.058743 Density= 0.323392 ETOT(band)= -0.350934 trlgG= -0.442368 logG= -0.058743 TDE= -0.343016 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.022968 logG= -0.028155 Density= 0.216320 ETOT(band)= -0.232051 trlgG= -0.290593 logG= -0.028155 TDE= -0.170898 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023957 logG= -0.029314 Density= 0.323806 ETOT(band)= -0.350607 trlgG= -0.442112 logG= -0.029314 TDE= -0.171479 logGD-logG0= -0.005036 tlogG= -0.023245 logG= -0.028281 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321844 ETOT(band)= -0.350516 trlgG= -0.439619 logG= -0.028281 TDE= -0.170851 logGD-logG0= -0.001585 tlogG= -0.006874 logG= -0.008459 Density= 0.040866 ETOT(band)= -0.042668 trlgG= -0.052799 logG= -0.008459 TDE= -0.056462 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010190 tlogG= -0.045630 logG= -0.055820 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010466 tlogG= -0.047235 logG= -0.057700 logGD-logG0= -0.005081 tlogG= -0.023845 logG= -0.028926 Density= 0.324186 ETOT(band)= -0.347899 trlgG= -0.434975 logG= -0.055820 TDE= -0.341450 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324277 ETOT(band)= -0.349496 trlgG= -0.439677 logG= -0.057700 TDE= -0.342632 Density= 0.215592 ETOT(band)= -0.233724 trlgG= -0.294276 logG= -0.028926 TDE= -0.171110 logGD-logG0= -0.010463 tlogG= -0.046414 logG= -0.056878 Density= 0.324139 ETOT(band)= -0.348841 trlgG= -0.437593 logG= -0.056878 TDE= -0.342074 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004789 tlogG= -0.023244 logG= -0.028033 Density= 0.213591 ETOT(band)= -0.233582 trlgG= -0.292228 logG= -0.028033 TDE= -0.170741 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008969 tlogG= -0.048096 logG= -0.057064 Density= 0.425718 ETOT(band)= -0.468276 trlgG= -0.586469 logG= -0.057064 TDE= -0.341772 logGD-logG0= -0.009696 tlogG= -0.046605 logG= -0.056301 Density= 0.322846 ETOT(band)= -0.348966 trlgG= -0.436410 logG= -0.056301 TDE= -0.341603 logGD-logG0= -0.004840 tlogG= -0.023836 logG= -0.028677 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213666 ETOT(band)= -0.234114 trlgG= -0.293744 logG= -0.028677 TDE= -0.171045 logGD-logG0= -0.005372 tlogG= -0.023898 logG= -0.029270 Density= 0.215742 ETOT(band)= -0.233725 trlgG= -0.294554 logG= -0.029270 TDE= -0.171430 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005255 tlogG= -0.024084 logG= -0.029339 Density= 0.323206 ETOT(band)= -0.351142 trlgG= -0.442671 logG= -0.029339 TDE= -0.171420 logGD-logG0= -0.005176 tlogG= -0.023195 logG= -0.028370 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214962 ETOT(band)= -0.232922 trlgG= -0.291224 logG= -0.028370 TDE= -0.170615 logGD-logG0= -0.005441 tlogG= -0.023355 logG= -0.028796 Density= 0.215202 ETOT(band)= -0.233320 trlgG= -0.292718 logG= -0.028796 TDE= -0.170959 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004658 tlogG= -0.023371 logG= -0.028029 Density= 0.214277 ETOT(band)= -0.233340 trlgG= -0.292341 logG= -0.028029 TDE= -0.170905 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047839 logG= -0.057492 Density= 0.428224 ETOT(band)= -0.468089 trlgG= -0.587852 logG= -0.057492 TDE= -0.342259 logGD-logG0= -0.005420 tlogG= -0.023684 logG= -0.029104 Density= 0.215504 ETOT(band)= -0.233577 trlgG= -0.293857 logG= -0.029104 TDE= -0.171253 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001574 tlogG= -0.007588 logG= -0.009163 logGD-logG0= -0.004974 tlogG= -0.022905 logG= -0.027879 Density= 0.214890 ETOT(band)= -0.232369 trlgG= -0.289695 logG= -0.027879 TDE= -0.170428 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.071528 ETOT(band)= -0.077337 trlgG= -0.096157 logG= -0.009163 TDE= -0.056736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.048071 logG= -0.058570 Density= 0.430334 ETOT(band)= -0.468034 trlgG= -0.589061 logG= -0.058570 TDE= -0.342646 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009516 tlogG= -0.046607 logG= -0.056123 Density= 0.428283 ETOT(band)= -0.466787 trlgG= -0.584460 logG= -0.056123 TDE= -0.341628 logGD-logG0= -0.010289 tlogG= -0.048222 logG= -0.058510 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430228 ETOT(band)= -0.468203 trlgG= -0.589389 logG= -0.058510 TDE= -0.342520 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010155 tlogG= -0.048148 logG= -0.058304 logGD-logG0= -0.010771 tlogG= -0.047692 logG= -0.058463 Density= 0.431284 ETOT(band)= -0.467400 trlgG= -0.588707 logG= -0.058463 TDE= -0.342769 logGD-logG0= -0.010266 tlogG= -0.047668 logG= -0.057934 Density= 0.428478 ETOT(band)= -0.468071 trlgG= -0.587183 logG= -0.057934 TDE= -0.341900 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429490 ETOT(band)= -0.468199 trlgG= -0.588622 logG= -0.058304 TDE= -0.342306 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047957 logG= -0.058281 Density= 0.429393 ETOT(band)= -0.468161 trlgG= -0.588267 logG= -0.058281 TDE= -0.342145 logGD-logG0= -0.010667 tlogG= -0.047730 logG= -0.058397 Density= 0.430942 ETOT(band)= -0.467457 trlgG= -0.588348 logG= -0.058397 TDE= -0.342662 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009828 tlogG= -0.047853 logG= -0.057682 Density= 0.429324 ETOT(band)= -0.467864 trlgG= -0.587825 logG= -0.057682 TDE= -0.342246 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.046400 logG= -0.056345 logGD-logG0= -0.010695 tlogG= -0.048018 logG= -0.058713 Density= 0.429717 ETOT(band)= -0.465495 trlgG= -0.581529 logG= -0.056345 TDE= -0.341324 Density= 0.431525 ETOT(band)= -0.467682 trlgG= -0.589700 logG= -0.058713 TDE= -0.343034 logGD-logG0= -0.010328 tlogG= -0.046931 logG= -0.057259 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430067 ETOT(band)= -0.466409 trlgG= -0.584225 logG= -0.057259 TDE= -0.341614 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010009 tlogG= -0.047559 logG= -0.057568 Density= 0.428794 ETOT(band)= -0.467417 trlgG= -0.586224 logG= -0.057568 TDE= -0.341945 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004746 tlogG= -0.024007 logG= -0.028752 Density= 0.214214 ETOT(band)= -0.234052 trlgG= -0.294133 logG= -0.028752 TDE= -0.171227 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010727 tlogG= -0.047269 logG= -0.057995 Density= 0.430671 ETOT(band)= -0.467033 trlgG= -0.586877 logG= -0.057995 TDE= -0.342278 logGD-logG0= -0.004842 tlogG= -0.022327 logG= -0.027170 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323013 ETOT(band)= -0.347936 trlgG= -0.434021 logG= -0.027170 TDE= -0.170245 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010252 tlogG= -0.047570 logG= -0.057822 logGD-logG0= -0.001207 tlogG= -0.005307 logG= -0.006514 Density= 0.081594 ETOT(band)= -0.085676 trlgG= -0.106213 logG= -0.006514 TDE= -0.042460 Density= 0.430198 ETOT(band)= -0.467055 trlgG= -0.586154 logG= -0.057822 TDE= -0.342059 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009983 tlogG= -0.044622 logG= -0.054605 Density= 0.324428 ETOT(band)= -0.346630 trlgG= -0.431965 logG= -0.054605 TDE= -0.340773 logGD-logG0= -0.001696 tlogG= -0.007117 logG= -0.008813 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005468 logG= -0.006695 Density= 0.081235 ETOT(band)= -0.086344 trlgG= -0.107372 logG= -0.006695 TDE= -0.042572 Density= 0.072261 ETOT(band)= -0.076470 trlgG= -0.094844 logG= -0.008813 TDE= -0.056622 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004955 tlogG= -0.022292 logG= -0.027247 logGD-logG0= -0.004306 tlogG= -0.024131 logG= -0.028437 Density= 0.212263 ETOT(band)= -0.234341 trlgG= -0.293691 logG= -0.028437 TDE= -0.170974 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214353 ETOT(band)= -0.232410 trlgG= -0.289448 logG= -0.027247 TDE= -0.170164 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004802 tlogG= -0.022327 logG= -0.027129 Density= 0.215121 ETOT(band)= -0.231923 trlgG= -0.289095 logG= -0.027129 TDE= -0.170251 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004923 tlogG= -0.022473 logG= -0.027397 Density= 0.215115 ETOT(band)= -0.231634 trlgG= -0.288051 logG= -0.027397 TDE= -0.170177 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.021879 logG= -0.026967 Density= 0.216721 ETOT(band)= -0.230257 trlgG= -0.286491 logG= -0.026967 TDE= -0.170224 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009831 tlogG= -0.044625 logG= -0.054455 Density= 0.431794 ETOT(band)= -0.462024 trlgG= -0.574749 logG= -0.054455 TDE= -0.340409 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004957 tlogG= -0.021206 logG= -0.026163 Density= 0.216439 ETOT(band)= -0.230010 trlgG= -0.285544 logG= -0.026163 TDE= -0.169798 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004999 tlogG= -0.021351 logG= -0.026349 Density= 0.217114 ETOT(band)= -0.229150 trlgG= -0.284288 logG= -0.026349 TDE= -0.169892 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.774709661406 eV TrLogG= -407.340106161440 eV Ratio to renormalize= 0.999591660772 rho-rho_expected= 0.008987132816 nargs= 1 argi=dmft2.def 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 6) Finished k-point number 14 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 52 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 20) Finished k-point number 42 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 0) Finished k-point number 2 2 with #bands= 9 69) Finished k-point number 140 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 57) Finished k-point number 115 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964628952110157 0.940348438871035 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002339 tlogG= -0.011447 logG= -0.013786 Density= 0.053759 ETOT(band)= -0.058059 trlgG= -0.072496 logG= -0.013786 TDE= -0.085313 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002331 tlogG= -0.011883 logG= -0.014214 Density= 0.053584 ETOT(band)= -0.058390 trlgG= -0.073261 logG= -0.014214 TDE= -0.085563 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.023642 logG= -0.028651 Density= 0.107023 ETOT(band)= -0.116908 trlgG= -0.146286 logG= -0.028651 TDE= -0.170595 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005123 tlogG= -0.022874 logG= -0.027997 Density= 0.107661 ETOT(band)= -0.116275 trlgG= -0.145331 logG= -0.027997 TDE= -0.170610 logGD-logG0= -0.005110 tlogG= -0.023214 logG= -0.028324 Density= 0.108240 ETOT(band)= -0.116181 trlgG= -0.145858 logG= -0.028324 TDE= -0.171097 logGD-logG0= -0.004721 tlogG= -0.023685 logG= -0.028406 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107021 ETOT(band)= -0.116819 trlgG= -0.146477 logG= -0.028406 TDE= -0.171031 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004893 tlogG= -0.024067 logG= -0.028960 Density= 0.107101 ETOT(band)= -0.117072 trlgG= -0.147153 logG= -0.028960 TDE= -0.171192 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002608 tlogG= -0.012032 logG= -0.014640 Density= 0.053786 ETOT(band)= -0.058522 trlgG= -0.073680 logG= -0.014640 TDE= -0.085655 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.012081 logG= -0.014508 Density= 0.053607 ETOT(band)= -0.058534 trlgG= -0.073622 logG= -0.014508 TDE= -0.085642 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 logGD-logG0= -0.001490 tlogG= -0.007811 logG= -0.009300 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001408 tlogG= -0.008044 logG= -0.009452 Density= 0.035328 ETOT(band)= -0.039068 trlgG= -0.048968 logG= -0.009452 TDE= -0.056998 Density= 0.035507 ETOT(band)= -0.038917 trlgG= -0.048604 logG= -0.009300 TDE= -0.056874 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002565 tlogG= -0.011983 logG= -0.014548 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054161 ETOT(band)= -0.058285 trlgG= -0.073543 logG= -0.014548 TDE= -0.085796 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005159 tlogG= -0.023429 logG= -0.028587 Density= 0.108176 ETOT(band)= -0.116357 trlgG= -0.146277 logG= -0.028587 TDE= -0.171221 logGD-logG0= -0.002469 tlogG= -0.010840 logG= -0.013309 Density= 0.054086 ETOT(band)= -0.057580 trlgG= -0.071538 logG= -0.013309 TDE= -0.084993 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004332 tlogG= -0.024050 logG= -0.028382 Density= 0.106162 ETOT(band)= -0.117142 trlgG= -0.146778 logG= -0.028382 TDE= -0.170930 logGD-logG0= -0.005150 tlogG= -0.023948 logG= -0.029099 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108275 ETOT(band)= -0.116594 trlgG= -0.147091 logG= -0.029099 TDE= -0.171572 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005117 tlogG= -0.022981 logG= -0.028098 Density= 0.108180 ETOT(band)= -0.116087 trlgG= -0.145503 logG= -0.028098 TDE= -0.170938 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005291 tlogG= -0.024070 logG= -0.029361 Density= 0.107689 ETOT(band)= -0.117045 trlgG= -0.147505 logG= -0.029361 TDE= -0.171434 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004359 tlogG= -0.023973 logG= -0.028332 Density= 0.106214 ETOT(band)= -0.117098 trlgG= -0.146665 logG= -0.028332 TDE= -0.170893 logGD-logG0= -0.005049 tlogG= -0.022456 logG= -0.027505 logGD-logG0= -0.004556 tlogG= -0.024045 logG= -0.028600 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106433 ETOT(band)= -0.117130 trlgG= -0.146787 logG= -0.028600 TDE= -0.170855 Density= 0.108248 ETOT(band)= -0.115715 trlgG= -0.144556 logG= -0.027505 TDE= -0.170618 logGD-logG0= -0.005301 tlogG= -0.024085 logG= -0.029386 Density= 0.107934 ETOT(band)= -0.116953 trlgG= -0.147569 logG= -0.029386 TDE= -0.171594 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.023204 logG= -0.027838 Density= 0.106781 ETOT(band)= -0.116599 trlgG= -0.145459 logG= -0.027838 TDE= -0.170461 logGD-logG0= -0.004967 tlogG= -0.022168 logG= -0.027135 logGD-logG0= -0.005163 tlogG= -0.023762 logG= -0.028925 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108224 ETOT(band)= -0.116519 trlgG= -0.146812 logG= -0.028925 TDE= -0.171442 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108404 ETOT(band)= -0.115409 trlgG= -0.143948 logG= -0.027135 TDE= -0.170457 logGD-logG0= -0.002634 tlogG= -0.011987 logG= -0.014621 Density= 0.054006 ETOT(band)= -0.058405 trlgG= -0.073664 logG= -0.014621 TDE= -0.085768 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005299 tlogG= -0.023682 logG= -0.028981 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107277 ETOT(band)= -0.116979 trlgG= -0.146836 logG= -0.028981 TDE= -0.170941 logGD-logG0= -0.005140 tlogG= -0.023603 logG= -0.028744 Density= 0.108249 ETOT(band)= -0.116404 trlgG= -0.146521 logG= -0.028744 TDE= -0.171345 logGD-logG0= -0.005324 tlogG= -0.023901 logG= -0.029225 logGD-logG0= -0.005334 tlogG= -0.024131 logG= -0.029465 logGD-logG0= -0.005006 tlogG= -0.024091 logG= -0.029097 logGD-logG0= -0.005025 tlogG= -0.022407 logG= -0.027432 Density= 0.107679 ETOT(band)= -0.115942 trlgG= -0.144435 logG= -0.027432 TDE= -0.170288 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107797 ETOT(band)= -0.116912 trlgG= -0.147290 logG= -0.029225 TDE= -0.171409 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004691 tlogG= -0.023668 logG= -0.028358 Density= 0.106642 ETOT(band)= -0.116936 trlgG= -0.146372 logG= -0.028358 TDE= -0.170786 logGD-logG0= -0.005137 tlogG= -0.023870 logG= -0.029007 logGD-logG0= -0.004721 tlogG= -0.022988 logG= -0.027709 Density= 0.106917 ETOT(band)= -0.116468 trlgG= -0.145197 logG= -0.027709 TDE= -0.170395 Density= 0.107857 ETOT(band)= -0.117041 trlgG= -0.147694 logG= -0.029465 TDE= -0.171602 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.023966 logG= -0.029207 Density= 0.107490 ETOT(band)= -0.117031 trlgG= -0.147232 logG= -0.029207 TDE= -0.171216 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107425 ETOT(band)= -0.117010 trlgG= -0.147128 logG= -0.029097 TDE= -0.171190 logGD-logG0= -0.004746 tlogG= -0.023499 logG= -0.028245 Density= 0.106818 ETOT(band)= -0.116790 trlgG= -0.145943 logG= -0.028245 TDE= -0.170557 logGD-logG0= -0.005045 tlogG= -0.022732 logG= -0.027777 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108294 ETOT(band)= -0.115851 trlgG= -0.144992 logG= -0.027777 TDE= -0.170804 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108295 ETOT(band)= -0.116529 trlgG= -0.146942 logG= -0.029007 TDE= -0.171525 logGD-logG0= -0.004914 tlogG= -0.023892 logG= -0.028807 logGD-logG0= -0.004842 tlogG= -0.023687 logG= -0.028529 Density= 0.106802 ETOT(band)= -0.117091 trlgG= -0.146899 logG= -0.028807 TDE= -0.170943 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107424 ETOT(band)= -0.116700 trlgG= -0.146386 logG= -0.028529 TDE= -0.171016 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004753 tlogG= -0.022850 logG= -0.027604 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004876 tlogG= -0.022848 logG= -0.027725 Density= 0.107793 ETOT(band)= -0.116071 trlgG= -0.144919 logG= -0.027725 TDE= -0.170536 Density= 0.107342 ETOT(band)= -0.116215 trlgG= -0.145045 logG= -0.027604 TDE= -0.170560 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009808 tlogG= -0.048241 logG= -0.058049 Density= 0.214493 ETOT(band)= -0.234102 trlgG= -0.294382 logG= -0.058049 TDE= -0.342474 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005287 tlogG= -0.023868 logG= -0.029156 Density= 0.107962 ETOT(band)= -0.116780 trlgG= -0.147184 logG= -0.029156 TDE= -0.171453 logGD-logG0= -0.005325 tlogG= -0.023578 logG= -0.028903 Density= 0.107846 ETOT(band)= -0.116684 trlgG= -0.146769 logG= -0.028903 TDE= -0.171234 logGD-logG0= -0.005314 tlogG= -0.023195 logG= -0.028509 logGD-logG0= -0.009496 tlogG= -0.045758 logG= -0.055254 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215108 ETOT(band)= -0.232264 trlgG= -0.289992 logG= -0.055254 TDE= -0.341184 Density= 0.107728 ETOT(band)= -0.116523 trlgG= -0.146140 logG= -0.028509 TDE= -0.170940 logGD-logG0= -0.009675 tlogG= -0.047157 logG= -0.056831 logGD-logG0= -0.009775 tlogG= -0.045588 logG= -0.055363 Density= 0.214453 ETOT(band)= -0.232614 trlgG= -0.290169 logG= -0.055363 TDE= -0.340929 Density= 0.213857 ETOT(band)= -0.233697 trlgG= -0.292807 logG= -0.056831 TDE= -0.341803 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009131 tlogG= -0.047629 logG= -0.056760 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.024057 logG= -0.029333 logGD-logG0= -0.009559 tlogG= -0.047930 logG= -0.057489 logGD-logG0= -0.009954 tlogG= -0.047898 logG= -0.057851 Density= 0.213015 ETOT(band)= -0.233995 trlgG= -0.292877 logG= -0.056760 TDE= -0.341528 Density= 0.214060 ETOT(band)= -0.234140 trlgG= -0.294070 logG= -0.057851 TDE= -0.342146 Density= 0.107993 ETOT(band)= -0.116886 trlgG= -0.147480 logG= -0.029333 TDE= -0.171588 logGD-logG0= -0.010530 tlogG= -0.047745 logG= -0.058275 Density= 0.214849 ETOT(band)= -0.234026 trlgG= -0.294216 logG= -0.058275 TDE= -0.342260 Density= 0.213363 ETOT(band)= -0.234204 trlgG= -0.293521 logG= -0.057489 TDE= -0.341615 logGD-logG0= -0.009833 tlogG= -0.047154 logG= -0.056987 Density= 0.213868 ETOT(band)= -0.233741 trlgG= -0.292598 logG= -0.056987 TDE= -0.341444 logGD-logG0= -0.009447 tlogG= -0.047445 logG= -0.056892 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214402 ETOT(band)= -0.233527 trlgG= -0.292937 logG= -0.056892 TDE= -0.342142 logGD-logG0= -0.001694 tlogG= -0.007304 logG= -0.008998 Density= 0.035859 ETOT(band)= -0.038569 trlgG= -0.047907 logG= -0.008998 TDE= -0.056654 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001628 tlogG= -0.006991 logG= -0.008619 Density= 0.036211 ETOT(band)= -0.038120 trlgG= -0.047247 logG= -0.008619 TDE= -0.056546 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010566 tlogG= -0.048014 logG= -0.058579 logGD-logG0= -0.010485 tlogG= -0.048080 logG= -0.058564 Density= 0.215200 ETOT(band)= -0.234071 trlgG= -0.294754 logG= -0.058579 TDE= -0.342666 Density= 0.215164 ETOT(band)= -0.234080 trlgG= -0.294727 logG= -0.058564 TDE= -0.342636 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047659 logG= -0.057852 logGD-logG0= -0.010077 tlogG= -0.048027 logG= -0.058104 Density= 0.214623 ETOT(band)= -0.234049 trlgG= -0.294131 logG= -0.058104 TDE= -0.342233 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214040 ETOT(band)= -0.234127 trlgG= -0.293822 logG= -0.057852 TDE= -0.341888 logGD-logG0= -0.010625 tlogG= -0.047525 logG= -0.058150 Density= 0.215793 ETOT(band)= -0.233527 trlgG= -0.294099 logG= -0.058150 TDE= -0.342735 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010420 tlogG= -0.047308 logG= -0.057728 logGD-logG0= -0.009880 tlogG= -0.045647 logG= -0.055528 Density= 0.214353 ETOT(band)= -0.233920 trlgG= -0.293298 logG= -0.057728 TDE= -0.341643 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215240 ETOT(band)= -0.232339 trlgG= -0.289984 logG= -0.055528 TDE= -0.340968 logGD-logG0= -0.010394 tlogG= -0.047785 logG= -0.058179 logGD-logG0= -0.010679 tlogG= -0.048145 logG= -0.058823 logGD-logG0= -0.010333 tlogG= -0.047978 logG= -0.058311 Density= 0.215517 ETOT(band)= -0.234096 trlgG= -0.295191 logG= -0.058823 TDE= -0.343016 logGD-logG0= -0.010550 tlogG= -0.047938 logG= -0.058488 Density= 0.215166 ETOT(band)= -0.233935 trlgG= -0.294311 logG= -0.058311 TDE= -0.342474 Density= 0.214748 ETOT(band)= -0.234020 trlgG= -0.294047 logG= -0.058179 TDE= -0.342136 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215990 ETOT(band)= -0.233643 trlgG= -0.294661 logG= -0.058488 TDE= -0.343056 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010588 tlogG= -0.047421 logG= -0.058009 logGD-logG0= -0.010192 tlogG= -0.046411 logG= -0.056603 Density= 0.215307 ETOT(band)= -0.232901 trlgG= -0.291617 logG= -0.056603 TDE= -0.341558 Density= 0.215561 ETOT(band)= -0.233568 trlgG= -0.293859 logG= -0.058009 TDE= -0.342520 logGD-logG0= -0.010605 tlogG= -0.047887 logG= -0.058491 Density= 0.215861 ETOT(band)= -0.233716 trlgG= -0.294663 logG= -0.058491 TDE= -0.342991 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.046878 logG= -0.057509 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215522 ETOT(band)= -0.233291 trlgG= -0.293059 logG= -0.057509 TDE= -0.342201 logGD-logG0= -0.009802 tlogG= -0.047222 logG= -0.057025 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214568 ETOT(band)= -0.233488 trlgG= -0.292711 logG= -0.057025 TDE= -0.341865 logGD-logG0= -0.010104 tlogG= -0.047151 logG= -0.057255 Density= 0.215243 ETOT(band)= -0.233302 trlgG= -0.292633 logG= -0.057255 TDE= -0.341891 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.021563 logG= -0.026479 Density= 0.108559 ETOT(band)= -0.114859 trlgG= -0.142820 logG= -0.026479 TDE= -0.170062 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005081 tlogG= -0.021817 logG= -0.026898 Density= 0.107834 ETOT(band)= -0.115514 trlgG= -0.143560 logG= -0.026898 TDE= -0.170024 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004835 tlogG= -0.020988 logG= -0.025823 Density= 0.108755 ETOT(band)= -0.114272 trlgG= -0.141663 logG= -0.025823 TDE= -0.169658 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.021873 logG= -0.026875 Density= 0.108369 ETOT(band)= -0.115225 trlgG= -0.143499 logG= -0.026875 TDE= -0.170250 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005022 tlogG= -0.021693 logG= -0.026715 Density= 0.107977 ETOT(band)= -0.115322 trlgG= -0.143251 logG= -0.026715 TDE= -0.169968 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002409 tlogG= -0.010425 logG= -0.012834 logGD-logG0= -0.010038 tlogG= -0.043387 logG= -0.053426 Density= 0.216368 ETOT(band)= -0.230433 trlgG= -0.286478 logG= -0.053426 TDE= -0.340122 Density= 0.054401 ETOT(band)= -0.057063 trlgG= -0.070692 logG= -0.012834 TDE= -0.084778 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001240 tlogG= -0.005619 logG= -0.006859 Density= 0.080872 ETOT(band)= -0.086954 trlgG= -0.108607 logG= -0.006859 TDE= -0.042668 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005747 logG= -0.007008 Density= 0.080670 ETOT(band)= -0.087382 trlgG= -0.109609 logG= -0.007008 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023882 logG= -0.028804 Density= 0.213879 ETOT(band)= -0.233968 trlgG= -0.292998 logG= -0.028804 TDE= -0.170785 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023413 logG= -0.028629 Density= 0.216290 ETOT(band)= -0.232618 trlgG= -0.292199 logG= -0.028629 TDE= -0.171180 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004746 tlogG= -0.024005 logG= -0.028752 Density= 0.214212 ETOT(band)= -0.234045 trlgG= -0.294123 logG= -0.028752 TDE= -0.171222 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005176 tlogG= -0.023194 logG= -0.028370 Density= 0.214959 ETOT(band)= -0.232915 trlgG= -0.291215 logG= -0.028370 TDE= -0.170610 logGD-logG0= -0.004659 tlogG= -0.023369 logG= -0.028028 Density= 0.214274 ETOT(band)= -0.233333 trlgG= -0.292331 logG= -0.028028 TDE= -0.170900 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005939 logG= -0.007218 logGD-logG0= -0.001275 tlogG= -0.005855 logG= -0.007130 Density= 0.080683 ETOT(band)= -0.087597 trlgG= -0.110164 logG= -0.007130 TDE= -0.042810 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080866 ETOT(band)= -0.087632 trlgG= -0.110361 logG= -0.007218 TDE= -0.042864 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005468 logG= -0.006695 Density= 0.081234 ETOT(band)= -0.086341 trlgG= -0.107369 logG= -0.006695 TDE= -0.042571 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001278 tlogG= -0.005983 logG= -0.007261 Density= 0.081096 ETOT(band)= -0.087535 trlgG= -0.110414 logG= -0.007261 TDE= -0.042894 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.023999 logG= -0.029232 logGD-logG0= -0.001435 tlogG= -0.007965 logG= -0.009400 Density= 0.070897 ETOT(band)= -0.077936 trlgG= -0.097451 logG= -0.009400 TDE= -0.056959 Density= 0.215780 ETOT(band)= -0.233816 trlgG= -0.294817 logG= -0.029232 TDE= -0.171570 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023797 logG= -0.029063 Density= 0.215427 ETOT(band)= -0.233722 trlgG= -0.294163 logG= -0.029063 TDE= -0.171417 logGD-logG0= -0.005196 tlogG= -0.023998 logG= -0.029194 Density= 0.216449 ETOT(band)= -0.233299 trlgG= -0.294341 logG= -0.029194 TDE= -0.171587 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.023482 logG= -0.028740 logGD-logG0= -0.004306 tlogG= -0.024130 logG= -0.028436 Density= 0.212261 ETOT(band)= -0.234333 trlgG= -0.293680 logG= -0.028436 TDE= -0.170969 Density= 0.215307 ETOT(band)= -0.233288 trlgG= -0.292901 logG= -0.028740 TDE= -0.171160 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.024120 logG= -0.029445 Density= 0.215812 ETOT(band)= -0.233972 trlgG= -0.295233 logG= -0.029445 TDE= -0.171602 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.024004 logG= -0.028783 Density= 0.321703 ETOT(band)= -0.351047 trlgG= -0.441329 logG= -0.028783 TDE= -0.171217 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004691 tlogG= -0.023366 logG= -0.028057 logGD-logG0= -0.004439 tlogG= -0.023739 logG= -0.028178 Density= 0.213177 ETOT(band)= -0.233546 trlgG= -0.291758 logG= -0.028178 TDE= -0.170771 Density= 0.321772 ETOT(band)= -0.350000 trlgG= -0.438754 logG= -0.028057 TDE= -0.170892 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.023844 logG= -0.028926 logGD-logG0= -0.001189 tlogG= -0.005171 logG= -0.006360 Density= 0.062567 ETOT(band)= -0.067533 trlgG= -0.084207 logG= -0.006360 TDE= -0.042358 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215589 ETOT(band)= -0.233718 trlgG= -0.294267 logG= -0.028926 TDE= -0.171105 logGD-logG0= -0.004495 tlogG= -0.023585 logG= -0.028080 Density= 0.212709 ETOT(band)= -0.233953 trlgG= -0.292732 logG= -0.028080 TDE= -0.170686 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004583 tlogG= -0.023971 logG= -0.028555 Density= 0.212898 ETOT(band)= -0.234230 trlgG= -0.293481 logG= -0.028555 TDE= -0.170823 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023955 logG= -0.029040 Density= 0.214432 ETOT(band)= -0.234054 trlgG= -0.293906 logG= -0.029040 TDE= -0.171055 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010468 tlogG= -0.047232 logG= -0.057699 Density= 0.324272 ETOT(band)= -0.349486 trlgG= -0.439664 logG= -0.057699 TDE= -0.342622 logGD-logG0= -0.005025 tlogG= -0.024156 logG= -0.029180 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214833 ETOT(band)= -0.234126 trlgG= -0.294521 logG= -0.029180 TDE= -0.171228 logGD-logG0= -0.005050 tlogG= -0.024161 logG= -0.029211 Density= 0.322579 ETOT(band)= -0.351159 trlgG= -0.442007 logG= -0.029211 TDE= -0.171223 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.022438 logG= -0.027565 Density= 0.216461 ETOT(band)= -0.231248 trlgG= -0.288600 logG= -0.027565 TDE= -0.170559 logGD-logG0= -0.005209 tlogG= -0.023760 logG= -0.028969 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216371 ETOT(band)= -0.232997 trlgG= -0.293405 logG= -0.028969 TDE= -0.171419 logGD-logG0= -0.004609 tlogG= -0.023889 logG= -0.028498 logGD-logG0= -0.005189 tlogG= -0.023955 logG= -0.029144 logGD-logG0= -0.005255 tlogG= -0.024083 logG= -0.029338 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323201 ETOT(band)= -0.351131 trlgG= -0.442657 logG= -0.029338 TDE= -0.171415 Density= 0.216483 ETOT(band)= -0.233195 trlgG= -0.294109 logG= -0.029144 TDE= -0.171560 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213372 ETOT(band)= -0.233821 trlgG= -0.292488 logG= -0.028498 TDE= -0.170775 logGD-logG0= -0.010704 tlogG= -0.048038 logG= -0.058742 Density= 0.323387 ETOT(band)= -0.350924 trlgG= -0.442354 logG= -0.058742 TDE= -0.343006 logGD-logG0= -0.005188 tlogG= -0.022966 logG= -0.028154 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216317 ETOT(band)= -0.232045 trlgG= -0.290584 logG= -0.028154 TDE= -0.170893 logGD-logG0= -0.010421 tlogG= -0.047783 logG= -0.058204 Density= 0.324491 ETOT(band)= -0.349853 trlgG= -0.441011 logG= -0.058204 TDE= -0.343014 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.046411 logG= -0.056877 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324135 ETOT(band)= -0.348831 trlgG= -0.437579 logG= -0.056877 TDE= -0.342065 logGD-logG0= -0.004790 tlogG= -0.023243 logG= -0.028033 Density= 0.213589 ETOT(band)= -0.233575 trlgG= -0.292218 logG= -0.028033 TDE= -0.170736 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010191 tlogG= -0.045628 logG= -0.055819 logGD-logG0= -0.005037 tlogG= -0.023243 logG= -0.028280 Density= 0.324182 ETOT(band)= -0.347889 trlgG= -0.434962 logG= -0.055819 TDE= -0.341441 Density= 0.321840 ETOT(band)= -0.350506 trlgG= -0.439604 logG= -0.028280 TDE= -0.170847 logGD-logG0= -0.004974 tlogG= -0.022904 logG= -0.027879 Density= 0.214887 ETOT(band)= -0.232362 trlgG= -0.289685 logG= -0.027879 TDE= -0.170423 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.007588 logG= -0.009162 Density= 0.071527 ETOT(band)= -0.077335 trlgG= -0.096154 logG= -0.009162 TDE= -0.056735 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006873 logG= -0.008458 Density= 0.040865 ETOT(band)= -0.042667 trlgG= -0.052798 logG= -0.008458 TDE= -0.056460 logGD-logG0= -0.004841 tlogG= -0.023835 logG= -0.028676 logGD-logG0= -0.005373 tlogG= -0.023896 logG= -0.029270 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215739 ETOT(band)= -0.233718 trlgG= -0.294545 logG= -0.029270 TDE= -0.171425 Density= 0.213664 ETOT(band)= -0.234107 trlgG= -0.293734 logG= -0.028676 TDE= -0.171040 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009697 tlogG= -0.046602 logG= -0.056300 Density= 0.322842 ETOT(band)= -0.348956 trlgG= -0.436396 logG= -0.056300 TDE= -0.341594 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005421 tlogG= -0.023682 logG= -0.029104 logGD-logG0= -0.005358 tlogG= -0.023955 logG= -0.029314 Density= 0.215500 ETOT(band)= -0.233571 trlgG= -0.293848 logG= -0.029104 TDE= -0.171248 Density= 0.323801 ETOT(band)= -0.350597 trlgG= -0.442098 logG= -0.029314 TDE= -0.171474 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.021300 logG= -0.026217 Density= 0.162718 ETOT(band)= -0.172958 trlgG= -0.215914 logG= -0.026217 TDE= -0.169874 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009461 tlogG= -0.046711 logG= -0.056172 Density= 0.428073 ETOT(band)= -0.466052 trlgG= -0.581834 logG= -0.056172 TDE= -0.341203 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008969 tlogG= -0.048094 logG= -0.057063 Density= 0.425714 ETOT(band)= -0.468260 trlgG= -0.586448 logG= -0.057063 TDE= -0.341762 logGD-logG0= -0.010157 tlogG= -0.048146 logG= -0.058303 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429485 ETOT(band)= -0.468185 trlgG= -0.588602 logG= -0.058303 TDE= -0.342296 logGD-logG0= -0.009654 tlogG= -0.047836 logG= -0.057490 Density= 0.428219 ETOT(band)= -0.468074 trlgG= -0.587833 logG= -0.057490 TDE= -0.342249 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009517 tlogG= -0.046604 logG= -0.056121 Density= 0.428278 ETOT(band)= -0.466773 trlgG= -0.584440 logG= -0.056121 TDE= -0.341619 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010267 tlogG= -0.047666 logG= -0.057933 Density= 0.428473 ETOT(band)= -0.468057 trlgG= -0.587164 logG= -0.057933 TDE= -0.341890 logGD-logG0= -0.010290 tlogG= -0.048219 logG= -0.058509 Density= 0.430222 ETOT(band)= -0.468189 trlgG= -0.589370 logG= -0.058509 TDE= -0.342510 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010773 tlogG= -0.047689 logG= -0.058462 Density= 0.431278 ETOT(band)= -0.467387 trlgG= -0.588688 logG= -0.058462 TDE= -0.342759 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009660 tlogG= -0.047649 logG= -0.057310 logGD-logG0= -0.009830 tlogG= -0.047851 logG= -0.057681 Density= 0.429319 ETOT(band)= -0.467850 trlgG= -0.587806 logG= -0.057681 TDE= -0.342236 Density= 0.426852 ETOT(band)= -0.468287 trlgG= -0.586966 logG= -0.057310 TDE= -0.341780 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009614 tlogG= -0.047768 logG= -0.057382 Density= 0.427356 ETOT(band)= -0.467837 trlgG= -0.585818 logG= -0.057382 TDE= -0.341482 logGD-logG0= -0.010325 tlogG= -0.047954 logG= -0.058280 logGD-logG0= -0.005442 tlogG= -0.023354 logG= -0.028796 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429388 ETOT(band)= -0.468147 trlgG= -0.588248 logG= -0.058280 TDE= -0.342135 Density= 0.215199 ETOT(band)= -0.233314 trlgG= -0.292708 logG= -0.028796 TDE= -0.170954 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010668 tlogG= -0.047728 logG= -0.058396 Density= 0.430936 ETOT(band)= -0.467444 trlgG= -0.588329 logG= -0.058396 TDE= -0.342653 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010500 tlogG= -0.048069 logG= -0.058569 logGD-logG0= -0.010697 tlogG= -0.048014 logG= -0.058712 Density= 0.431519 ETOT(band)= -0.467669 trlgG= -0.589681 logG= -0.058712 TDE= -0.343024 Density= 0.430328 ETOT(band)= -0.468020 trlgG= -0.589042 logG= -0.058569 TDE= -0.342636 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009946 tlogG= -0.046398 logG= -0.056343 Density= 0.429712 ETOT(band)= -0.465481 trlgG= -0.581510 logG= -0.056343 TDE= -0.341314 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.046928 logG= -0.057258 Density= 0.430062 ETOT(band)= -0.466395 trlgG= -0.584207 logG= -0.057258 TDE= -0.341604 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010010 tlogG= -0.047556 logG= -0.057567 Density= 0.428789 ETOT(band)= -0.467403 trlgG= -0.586205 logG= -0.057567 TDE= -0.341935 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010728 tlogG= -0.047266 logG= -0.057994 Density= 0.430665 ETOT(band)= -0.467020 trlgG= -0.586858 logG= -0.057994 TDE= -0.342269 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010253 tlogG= -0.047568 logG= -0.057821 Density= 0.430193 ETOT(band)= -0.467041 trlgG= -0.586135 logG= -0.057821 TDE= -0.342049 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.022326 logG= -0.027169 Density= 0.323009 ETOT(band)= -0.347925 trlgG= -0.434007 logG= -0.027169 TDE= -0.170240 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001696 tlogG= -0.007116 logG= -0.008813 Density= 0.072260 ETOT(band)= -0.076468 trlgG= -0.094841 logG= -0.008813 TDE= -0.056621 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004956 tlogG= -0.022291 logG= -0.027246 Density= 0.214351 ETOT(band)= -0.232403 trlgG= -0.289438 logG= -0.027246 TDE= -0.170159 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004803 tlogG= -0.022325 logG= -0.027128 Density= 0.215119 ETOT(band)= -0.231916 trlgG= -0.289086 logG= -0.027128 TDE= -0.170246 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004924 tlogG= -0.022472 logG= -0.027396 Density= 0.215113 ETOT(band)= -0.231627 trlgG= -0.288042 logG= -0.027396 TDE= -0.170172 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009984 tlogG= -0.044620 logG= -0.054604 Density= 0.324424 ETOT(band)= -0.346620 trlgG= -0.431952 logG= -0.054604 TDE= -0.340763 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.021878 logG= -0.026967 Density= 0.216718 ETOT(band)= -0.230250 trlgG= -0.286483 logG= -0.026967 TDE= -0.170219 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005000 tlogG= -0.021349 logG= -0.026349 Density= 0.217111 ETOT(band)= -0.229144 trlgG= -0.284279 logG= -0.026349 TDE= -0.169887 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004958 tlogG= -0.021204 logG= -0.026163 Density= 0.216437 ETOT(band)= -0.230004 trlgG= -0.285536 logG= -0.026163 TDE= -0.169794 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009832 tlogG= -0.044622 logG= -0.054454 Density= 0.431789 ETOT(band)= -0.462010 trlgG= -0.574731 logG= -0.054454 TDE= -0.340400 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001208 tlogG= -0.005307 logG= -0.006514 Density= 0.081592 ETOT(band)= -0.085674 trlgG= -0.106210 logG= -0.006514 TDE= -0.042459 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.764972004461 eV TrLogG= -407.325079353895 eV Ratio to renormalize= 0.999604270867 rho-rho_expected= 0.008709487528 nargs= 1 argi=dmft2.def 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 2) Finished k-point number 6 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 30) Finished k-point number 62 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 69) Finished k-point number 139 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 48) Finished k-point number 97 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964606107441411 0.940324881856481 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002331 tlogG= -0.011883 logG= -0.014214 Density= 0.053584 ETOT(band)= -0.058390 trlgG= -0.073261 logG= -0.014214 TDE= -0.085563 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001490 tlogG= -0.007811 logG= -0.009300 Density= 0.035507 ETOT(band)= -0.038918 trlgG= -0.048604 logG= -0.009300 TDE= -0.056875 logGD-logG0= -0.001408 tlogG= -0.008044 logG= -0.009452 Density= 0.035328 ETOT(band)= -0.039069 trlgG= -0.048968 logG= -0.009452 TDE= -0.056998 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004332 tlogG= -0.024050 logG= -0.028382 logGD-logG0= -0.004359 tlogG= -0.023973 logG= -0.028332 Density= 0.106214 ETOT(band)= -0.117098 trlgG= -0.146665 logG= -0.028332 TDE= -0.170893 logGD-logG0= -0.004555 tlogG= -0.024045 logG= -0.028600 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106433 ETOT(band)= -0.117130 trlgG= -0.146788 logG= -0.028600 TDE= -0.170856 logGD-logG0= -0.004967 tlogG= -0.022168 logG= -0.027135 Density= 0.108404 ETOT(band)= -0.115409 trlgG= -0.143948 logG= -0.027135 TDE= -0.170458 Density= 0.106162 ETOT(band)= -0.117142 trlgG= -0.146779 logG= -0.028382 TDE= -0.170931 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004634 tlogG= -0.023204 logG= -0.027838 Density= 0.106781 ETOT(band)= -0.116599 trlgG= -0.145459 logG= -0.027838 TDE= -0.170462 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005110 tlogG= -0.023214 logG= -0.028324 Density= 0.108240 ETOT(band)= -0.116181 trlgG= -0.145858 logG= -0.028324 TDE= -0.171097 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.023642 logG= -0.028651 Density= 0.107023 ETOT(band)= -0.116908 trlgG= -0.146286 logG= -0.028651 TDE= -0.170596 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004720 tlogG= -0.023685 logG= -0.028405 Density= 0.107021 ETOT(band)= -0.116819 trlgG= -0.146477 logG= -0.028405 TDE= -0.171031 logGD-logG0= -0.004893 tlogG= -0.024067 logG= -0.028960 Density= 0.107102 ETOT(band)= -0.117072 trlgG= -0.147154 logG= -0.028960 TDE= -0.171193 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.022732 logG= -0.027777 Density= 0.108294 ETOT(band)= -0.115852 trlgG= -0.144992 logG= -0.027777 TDE= -0.170805 logGD-logG0= -0.004745 tlogG= -0.023499 logG= -0.028244 Density= 0.106818 ETOT(band)= -0.116790 trlgG= -0.145943 logG= -0.028244 TDE= -0.170558 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002608 tlogG= -0.012032 logG= -0.014640 Density= 0.053786 ETOT(band)= -0.058522 trlgG= -0.073680 logG= -0.014640 TDE= -0.085656 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.012081 logG= -0.014507 logGD-logG0= -0.002339 tlogG= -0.011447 logG= -0.013786 Density= 0.053607 ETOT(band)= -0.058534 trlgG= -0.073622 logG= -0.014507 TDE= -0.085642 Density= 0.053759 ETOT(band)= -0.058060 trlgG= -0.072497 logG= -0.013786 TDE= -0.085314 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010425 logG= -0.012834 Density= 0.054401 ETOT(band)= -0.057063 trlgG= -0.070692 logG= -0.012834 TDE= -0.084778 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005049 tlogG= -0.022456 logG= -0.027505 Density= 0.108248 ETOT(band)= -0.115715 trlgG= -0.144556 logG= -0.027505 TDE= -0.170618 logGD-logG0= -0.001694 tlogG= -0.007304 logG= -0.008998 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035859 ETOT(band)= -0.038569 trlgG= -0.047907 logG= -0.008998 TDE= -0.056654 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005163 tlogG= -0.023762 logG= -0.028925 logGD-logG0= -0.005150 tlogG= -0.023948 logG= -0.029098 Density= 0.108224 ETOT(band)= -0.116519 trlgG= -0.146812 logG= -0.028925 TDE= -0.171442 Density= 0.108275 ETOT(band)= -0.116594 trlgG= -0.147091 logG= -0.029098 TDE= -0.171572 logGD-logG0= -0.005117 tlogG= -0.022981 logG= -0.028098 Density= 0.108181 ETOT(band)= -0.116088 trlgG= -0.145503 logG= -0.028098 TDE= -0.170938 logGD-logG0= -0.002565 tlogG= -0.011983 logG= -0.014548 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054161 ETOT(band)= -0.058285 trlgG= -0.073543 logG= -0.014548 TDE= -0.085796 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005158 tlogG= -0.023428 logG= -0.028587 Density= 0.108177 ETOT(band)= -0.116357 trlgG= -0.146277 logG= -0.028587 TDE= -0.171221 logGD-logG0= -0.002634 tlogG= -0.011987 logG= -0.014621 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054006 ETOT(band)= -0.058406 trlgG= -0.073664 logG= -0.014621 TDE= -0.085768 logGD-logG0= -0.004842 tlogG= -0.023687 logG= -0.028529 logGD-logG0= -0.005301 tlogG= -0.024085 logG= -0.029386 Density= 0.107424 ETOT(band)= -0.116701 trlgG= -0.146387 logG= -0.028529 TDE= -0.171016 logGD-logG0= -0.005291 tlogG= -0.024070 logG= -0.029361 Density= 0.107934 ETOT(band)= -0.116954 trlgG= -0.147569 logG= -0.029386 TDE= -0.171594 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005334 tlogG= -0.024131 logG= -0.029465 logGD-logG0= -0.005140 tlogG= -0.023603 logG= -0.028743 Density= 0.108250 ETOT(band)= -0.116404 trlgG= -0.146521 logG= -0.028743 TDE= -0.171345 Density= 0.107689 ETOT(band)= -0.117046 trlgG= -0.147505 logG= -0.029361 TDE= -0.171434 logGD-logG0= -0.005299 tlogG= -0.023682 logG= -0.028981 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107857 ETOT(band)= -0.117041 trlgG= -0.147694 logG= -0.029465 TDE= -0.171602 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107277 ETOT(band)= -0.116979 trlgG= -0.146837 logG= -0.028981 TDE= -0.170942 logGD-logG0= -0.005324 tlogG= -0.023901 logG= -0.029225 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107798 ETOT(band)= -0.116912 trlgG= -0.147290 logG= -0.029225 TDE= -0.171409 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005006 tlogG= -0.024091 logG= -0.029097 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005241 tlogG= -0.023966 logG= -0.029207 Density= 0.107425 ETOT(band)= -0.117011 trlgG= -0.147128 logG= -0.029097 TDE= -0.171190 logGD-logG0= -0.005025 tlogG= -0.022407 logG= -0.027432 Density= 0.107679 ETOT(band)= -0.115942 trlgG= -0.144435 logG= -0.027432 TDE= -0.170289 Density= 0.107490 ETOT(band)= -0.117032 trlgG= -0.147232 logG= -0.029207 TDE= -0.171216 logGD-logG0= -0.005137 tlogG= -0.023870 logG= -0.029007 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108296 ETOT(band)= -0.116530 trlgG= -0.146942 logG= -0.029007 TDE= -0.171525 logGD-logG0= -0.004720 tlogG= -0.022988 logG= -0.027709 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106917 ETOT(band)= -0.116468 trlgG= -0.145197 logG= -0.027709 TDE= -0.170396 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004691 tlogG= -0.023668 logG= -0.028358 logGD-logG0= -0.004876 tlogG= -0.022848 logG= -0.027724 logGD-logG0= -0.005123 tlogG= -0.022874 logG= -0.027997 Density= 0.107793 ETOT(band)= -0.116071 trlgG= -0.144919 logG= -0.027724 TDE= -0.170536 Density= 0.107661 ETOT(band)= -0.116275 trlgG= -0.145331 logG= -0.027997 TDE= -0.170610 Density= 0.106643 ETOT(band)= -0.116936 trlgG= -0.146372 logG= -0.028358 TDE= -0.170786 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004753 tlogG= -0.022850 logG= -0.027603 logGD-logG0= -0.005314 tlogG= -0.023195 logG= -0.028509 Density= 0.107728 ETOT(band)= -0.116523 trlgG= -0.146140 logG= -0.028509 TDE= -0.170940 Density= 0.107342 ETOT(band)= -0.116215 trlgG= -0.145045 logG= -0.027603 TDE= -0.170560 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.023892 logG= -0.028806 Density= 0.106802 ETOT(band)= -0.117091 trlgG= -0.146899 logG= -0.028806 TDE= -0.170944 logGD-logG0= -0.005287 tlogG= -0.023868 logG= -0.029155 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107962 ETOT(band)= -0.116780 trlgG= -0.147184 logG= -0.029155 TDE= -0.171453 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.023578 logG= -0.028902 Density= 0.107846 ETOT(band)= -0.116684 trlgG= -0.146769 logG= -0.028902 TDE= -0.171234 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005276 tlogG= -0.024056 logG= -0.029332 Density= 0.107993 ETOT(band)= -0.116886 trlgG= -0.147480 logG= -0.029332 TDE= -0.171588 logGD-logG0= -0.009496 tlogG= -0.045758 logG= -0.055254 Density= 0.215109 ETOT(band)= -0.232265 trlgG= -0.289992 logG= -0.055254 TDE= -0.341185 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009808 tlogG= -0.048241 logG= -0.058049 Density= 0.214493 ETOT(band)= -0.234103 trlgG= -0.294382 logG= -0.058049 TDE= -0.342475 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009775 tlogG= -0.045588 logG= -0.055363 Density= 0.214453 ETOT(band)= -0.232614 trlgG= -0.290170 logG= -0.055363 TDE= -0.340929 logGD-logG0= -0.009674 tlogG= -0.047156 logG= -0.056831 Density= 0.213857 ETOT(band)= -0.233697 trlgG= -0.292807 logG= -0.056831 TDE= -0.341803 logGD-logG0= -0.009833 tlogG= -0.047154 logG= -0.056987 logGD-logG0= -0.009559 tlogG= -0.047930 logG= -0.057489 logGD-logG0= -0.009130 tlogG= -0.047629 logG= -0.056760 Density= 0.213015 ETOT(band)= -0.233996 trlgG= -0.292878 logG= -0.056760 TDE= -0.341529 logGD-logG0= -0.010529 tlogG= -0.047745 logG= -0.058274 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213363 ETOT(band)= -0.234205 trlgG= -0.293522 logG= -0.057489 TDE= -0.341616 Density= 0.213868 ETOT(band)= -0.233741 trlgG= -0.292599 logG= -0.056987 TDE= -0.341445 Density= 0.214850 ETOT(band)= -0.234027 trlgG= -0.294216 logG= -0.058274 TDE= -0.342260 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009954 tlogG= -0.047898 logG= -0.057851 logGD-logG0= -0.009447 tlogG= -0.047445 logG= -0.056892 Density= 0.214402 ETOT(band)= -0.233528 trlgG= -0.292937 logG= -0.056892 TDE= -0.342142 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214060 ETOT(band)= -0.234141 trlgG= -0.294070 logG= -0.057851 TDE= -0.342147 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010484 tlogG= -0.048080 logG= -0.058564 logGD-logG0= -0.010333 tlogG= -0.047978 logG= -0.058311 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215166 ETOT(band)= -0.233935 trlgG= -0.294311 logG= -0.058311 TDE= -0.342475 Density= 0.215164 ETOT(band)= -0.234080 trlgG= -0.294727 logG= -0.058564 TDE= -0.342637 logGD-logG0= -0.009880 tlogG= -0.045647 logG= -0.055527 Density= 0.215241 ETOT(band)= -0.232340 trlgG= -0.289984 logG= -0.055527 TDE= -0.340969 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001628 tlogG= -0.006991 logG= -0.008619 logGD-logG0= -0.010394 tlogG= -0.047785 logG= -0.058179 Density= 0.214748 ETOT(band)= -0.234020 trlgG= -0.294047 logG= -0.058179 TDE= -0.342137 Density= 0.036211 ETOT(band)= -0.038120 trlgG= -0.047247 logG= -0.008619 TDE= -0.056546 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047658 logG= -0.057851 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010077 tlogG= -0.048027 logG= -0.058104 Density= 0.214624 ETOT(band)= -0.234050 trlgG= -0.294131 logG= -0.058104 TDE= -0.342234 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.048014 logG= -0.058579 Density= 0.214041 ETOT(band)= -0.234128 trlgG= -0.293823 logG= -0.057851 TDE= -0.341889 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215201 ETOT(band)= -0.234071 trlgG= -0.294754 logG= -0.058579 TDE= -0.342667 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010624 tlogG= -0.047525 logG= -0.058149 logGD-logG0= -0.010550 tlogG= -0.047938 logG= -0.058488 Density= 0.215990 ETOT(band)= -0.233644 trlgG= -0.294661 logG= -0.058488 TDE= -0.343056 Density= 0.215794 ETOT(band)= -0.233527 trlgG= -0.294099 logG= -0.058149 TDE= -0.342736 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010678 tlogG= -0.048144 logG= -0.058823 logGD-logG0= -0.010420 tlogG= -0.047308 logG= -0.057728 Density= 0.214353 ETOT(band)= -0.233921 trlgG= -0.293299 logG= -0.057728 TDE= -0.341644 Density= 0.215517 ETOT(band)= -0.234097 trlgG= -0.295191 logG= -0.058823 TDE= -0.343017 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.046411 logG= -0.056603 logGD-logG0= -0.010588 tlogG= -0.047421 logG= -0.058009 Density= 0.215561 ETOT(band)= -0.233568 trlgG= -0.293859 logG= -0.058009 TDE= -0.342521 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215307 ETOT(band)= -0.232902 trlgG= -0.291617 logG= -0.056603 TDE= -0.341559 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010604 tlogG= -0.047886 logG= -0.058491 logGD-logG0= -0.010631 tlogG= -0.046878 logG= -0.057509 Density= 0.215862 ETOT(band)= -0.233716 trlgG= -0.294664 logG= -0.058491 TDE= -0.342992 Density= 0.215522 ETOT(band)= -0.233291 trlgG= -0.293059 logG= -0.057509 TDE= -0.342202 logGD-logG0= -0.009802 tlogG= -0.047222 logG= -0.057024 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214568 ETOT(band)= -0.233489 trlgG= -0.292711 logG= -0.057024 TDE= -0.341866 logGD-logG0= -0.002469 tlogG= -0.010840 logG= -0.013309 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010104 tlogG= -0.047151 logG= -0.057254 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054086 ETOT(band)= -0.057580 trlgG= -0.071538 logG= -0.013309 TDE= -0.084993 Density= 0.215243 ETOT(band)= -0.233302 trlgG= -0.292633 logG= -0.057254 TDE= -0.341892 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005002 tlogG= -0.021873 logG= -0.026875 logGD-logG0= -0.004916 tlogG= -0.021563 logG= -0.026479 Density= 0.108559 ETOT(band)= -0.114859 trlgG= -0.142820 logG= -0.026479 TDE= -0.170062 Density= 0.108369 ETOT(band)= -0.115225 trlgG= -0.143499 logG= -0.026875 TDE= -0.170251 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004835 tlogG= -0.020988 logG= -0.025823 Density= 0.108755 ETOT(band)= -0.114272 trlgG= -0.141663 logG= -0.025823 TDE= -0.169658 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005081 tlogG= -0.021816 logG= -0.026898 Density= 0.107834 ETOT(band)= -0.115514 trlgG= -0.143561 logG= -0.026898 TDE= -0.170025 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005022 tlogG= -0.021693 logG= -0.026715 Density= 0.107977 ETOT(band)= -0.115322 trlgG= -0.143251 logG= -0.026715 TDE= -0.169968 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010038 tlogG= -0.043387 logG= -0.053425 Density= 0.216368 ETOT(band)= -0.230433 trlgG= -0.286478 logG= -0.053425 TDE= -0.340123 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001260 tlogG= -0.005747 logG= -0.007008 Density= 0.080670 ETOT(band)= -0.087382 trlgG= -0.109609 logG= -0.007008 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.007965 logG= -0.009400 Density= 0.070897 ETOT(band)= -0.077936 trlgG= -0.097451 logG= -0.009400 TDE= -0.056959 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022438 logG= -0.027564 logGD-logG0= -0.004583 tlogG= -0.023971 logG= -0.028555 Density= 0.212898 ETOT(band)= -0.234231 trlgG= -0.293481 logG= -0.028555 TDE= -0.170823 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216461 ETOT(band)= -0.231248 trlgG= -0.288600 logG= -0.027564 TDE= -0.170559 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005216 tlogG= -0.023413 logG= -0.028629 Density= 0.216291 ETOT(band)= -0.232618 trlgG= -0.292199 logG= -0.028629 TDE= -0.171181 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005188 tlogG= -0.022966 logG= -0.028154 logGD-logG0= -0.004746 tlogG= -0.024005 logG= -0.028751 Density= 0.214212 ETOT(band)= -0.234045 trlgG= -0.294124 logG= -0.028751 TDE= -0.171222 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216317 ETOT(band)= -0.232045 trlgG= -0.290584 logG= -0.028154 TDE= -0.170894 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023585 logG= -0.028080 Density= 0.212709 ETOT(band)= -0.233954 trlgG= -0.292733 logG= -0.028080 TDE= -0.170687 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004659 tlogG= -0.023369 logG= -0.028028 Density= 0.214275 ETOT(band)= -0.233334 trlgG= -0.292331 logG= -0.028028 TDE= -0.170901 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004439 tlogG= -0.023739 logG= -0.028178 Density= 0.213177 ETOT(band)= -0.233547 trlgG= -0.291759 logG= -0.028178 TDE= -0.170771 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001189 tlogG= -0.005171 logG= -0.006360 Density= 0.062567 ETOT(band)= -0.067534 trlgG= -0.084207 logG= -0.006360 TDE= -0.042358 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004609 tlogG= -0.023889 logG= -0.028498 Density= 0.213372 ETOT(band)= -0.233822 trlgG= -0.292488 logG= -0.028498 TDE= -0.170775 logGD-logG0= -0.004922 tlogG= -0.023882 logG= -0.028804 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213879 ETOT(band)= -0.233969 trlgG= -0.292998 logG= -0.028804 TDE= -0.170785 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005619 logG= -0.006859 Density= 0.080872 ETOT(band)= -0.086954 trlgG= -0.108607 logG= -0.006859 TDE= -0.042668 logGD-logG0= -0.004306 tlogG= -0.024130 logG= -0.028436 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212261 ETOT(band)= -0.234334 trlgG= -0.293681 logG= -0.028436 TDE= -0.170969 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005939 logG= -0.007218 Density= 0.080867 ETOT(band)= -0.087632 trlgG= -0.110361 logG= -0.007218 TDE= -0.042864 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005307 logG= -0.006514 Density= 0.081593 ETOT(band)= -0.085674 trlgG= -0.106210 logG= -0.006514 TDE= -0.042459 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005084 tlogG= -0.023955 logG= -0.029040 Density= 0.214432 ETOT(band)= -0.234054 trlgG= -0.293906 logG= -0.029040 TDE= -0.171055 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005983 logG= -0.007261 Density= 0.081096 ETOT(band)= -0.087535 trlgG= -0.110414 logG= -0.007261 TDE= -0.042894 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005855 logG= -0.007130 Density= 0.080683 ETOT(band)= -0.087597 trlgG= -0.110164 logG= -0.007130 TDE= -0.042810 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.007588 logG= -0.009162 Density= 0.071527 ETOT(band)= -0.077335 trlgG= -0.096154 logG= -0.009162 TDE= -0.056735 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005232 tlogG= -0.023999 logG= -0.029231 logGD-logG0= -0.004790 tlogG= -0.023243 logG= -0.028032 Density= 0.215780 ETOT(band)= -0.233816 trlgG= -0.294818 logG= -0.029231 TDE= -0.171570 Density= 0.213589 ETOT(band)= -0.233575 trlgG= -0.292219 logG= -0.028032 TDE= -0.170737 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005266 tlogG= -0.023797 logG= -0.029063 logGD-logG0= -0.005259 tlogG= -0.023482 logG= -0.028740 Density= 0.215307 ETOT(band)= -0.233288 trlgG= -0.292901 logG= -0.028740 TDE= -0.171160 logGD-logG0= -0.005442 tlogG= -0.023354 logG= -0.028795 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215199 ETOT(band)= -0.233314 trlgG= -0.292709 logG= -0.028795 TDE= -0.170955 Density= 0.215427 ETOT(band)= -0.233722 trlgG= -0.294163 logG= -0.029063 TDE= -0.171417 logGD-logG0= -0.005176 tlogG= -0.023194 logG= -0.028370 Density= 0.214959 ETOT(band)= -0.232916 trlgG= -0.291215 logG= -0.028370 TDE= -0.170611 logGD-logG0= -0.004841 tlogG= -0.023835 logG= -0.028676 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213664 ETOT(band)= -0.234107 trlgG= -0.293735 logG= -0.028676 TDE= -0.171041 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005196 tlogG= -0.023998 logG= -0.029193 Density= 0.216449 ETOT(band)= -0.233299 trlgG= -0.294341 logG= -0.029193 TDE= -0.171587 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005325 tlogG= -0.024120 logG= -0.029445 Density= 0.215813 ETOT(band)= -0.233972 trlgG= -0.295233 logG= -0.029445 TDE= -0.171602 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005082 tlogG= -0.023844 logG= -0.028926 Density= 0.215589 ETOT(band)= -0.233718 trlgG= -0.294267 logG= -0.028926 TDE= -0.171105 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004691 tlogG= -0.023366 logG= -0.028057 Density= 0.321773 ETOT(band)= -0.350001 trlgG= -0.438754 logG= -0.028057 TDE= -0.170893 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010191 tlogG= -0.045628 logG= -0.055819 logGD-logG0= -0.010421 tlogG= -0.047783 logG= -0.058203 Density= 0.324491 ETOT(band)= -0.349853 trlgG= -0.441011 logG= -0.058203 TDE= -0.343015 Density= 0.324182 ETOT(band)= -0.347889 trlgG= -0.434962 logG= -0.055819 TDE= -0.341442 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005209 tlogG= -0.023760 logG= -0.028969 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216372 ETOT(band)= -0.232997 trlgG= -0.293405 logG= -0.028969 TDE= -0.171420 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.024161 logG= -0.029211 Density= 0.322580 ETOT(band)= -0.351160 trlgG= -0.442007 logG= -0.029211 TDE= -0.171224 logGD-logG0= -0.005025 tlogG= -0.024155 logG= -0.029180 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006873 logG= -0.008458 Density= 0.040865 ETOT(band)= -0.042667 trlgG= -0.052798 logG= -0.008458 TDE= -0.056460 Density= 0.214834 ETOT(band)= -0.234126 trlgG= -0.294521 logG= -0.029180 TDE= -0.171228 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004779 tlogG= -0.024004 logG= -0.028783 logGD-logG0= -0.005189 tlogG= -0.023955 logG= -0.029143 Density= 0.321704 ETOT(band)= -0.351048 trlgG= -0.441330 logG= -0.028783 TDE= -0.171218 logGD-logG0= -0.005373 tlogG= -0.023896 logG= -0.029269 Density= 0.215739 ETOT(band)= -0.233719 trlgG= -0.294545 logG= -0.029269 TDE= -0.171426 Density= 0.216483 ETOT(band)= -0.233195 trlgG= -0.294109 logG= -0.029143 TDE= -0.171561 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023243 logG= -0.028280 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321840 ETOT(band)= -0.350506 trlgG= -0.439605 logG= -0.028280 TDE= -0.170847 logGD-logG0= -0.010704 tlogG= -0.048038 logG= -0.058742 Density= 0.323388 ETOT(band)= -0.350924 trlgG= -0.442354 logG= -0.058742 TDE= -0.343007 logGD-logG0= -0.005255 tlogG= -0.024083 logG= -0.029338 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323202 ETOT(band)= -0.351132 trlgG= -0.442657 logG= -0.029338 TDE= -0.171416 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.046411 logG= -0.056876 Density= 0.324135 ETOT(band)= -0.348832 trlgG= -0.437580 logG= -0.056876 TDE= -0.342066 logGD-logG0= -0.010467 tlogG= -0.047232 logG= -0.057699 Density= 0.324273 ETOT(band)= -0.349487 trlgG= -0.439664 logG= -0.057699 TDE= -0.342623 logGD-logG0= -0.004974 tlogG= -0.022904 logG= -0.027878 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214888 ETOT(band)= -0.232362 trlgG= -0.289686 logG= -0.027878 TDE= -0.170424 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001227 tlogG= -0.005468 logG= -0.006695 logGD-logG0= -0.005421 tlogG= -0.023682 logG= -0.029103 Density= 0.081234 ETOT(band)= -0.086341 trlgG= -0.107369 logG= -0.006695 TDE= -0.042571 Density= 0.215501 ETOT(band)= -0.233571 trlgG= -0.293848 logG= -0.029103 TDE= -0.171248 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009697 tlogG= -0.046602 logG= -0.056300 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322843 ETOT(band)= -0.348957 trlgG= -0.436396 logG= -0.056300 TDE= -0.341595 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005358 tlogG= -0.023955 logG= -0.029314 Density= 0.323802 ETOT(band)= -0.350597 trlgG= -0.442099 logG= -0.029314 TDE= -0.171474 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010157 tlogG= -0.048146 logG= -0.058302 logGD-logG0= -0.009461 tlogG= -0.046711 logG= -0.056172 Density= 0.429485 ETOT(band)= -0.468186 trlgG= -0.588603 logG= -0.058302 TDE= -0.342297 Density= 0.428073 ETOT(band)= -0.466053 trlgG= -0.581835 logG= -0.056172 TDE= -0.341204 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008969 tlogG= -0.048093 logG= -0.057063 Density= 0.425714 ETOT(band)= -0.468261 trlgG= -0.586449 logG= -0.057063 TDE= -0.341763 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009654 tlogG= -0.047836 logG= -0.057490 Density= 0.428220 ETOT(band)= -0.468075 trlgG= -0.587833 logG= -0.057490 TDE= -0.342250 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.022325 logG= -0.027128 Density= 0.215119 ETOT(band)= -0.231916 trlgG= -0.289086 logG= -0.027128 TDE= -0.170246 logGD-logG0= -0.010500 tlogG= -0.048069 logG= -0.058569 logGD-logG0= -0.010325 tlogG= -0.047954 logG= -0.058279 Density= 0.429388 ETOT(band)= -0.468148 trlgG= -0.588248 logG= -0.058279 TDE= -0.342136 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430329 ETOT(band)= -0.468021 trlgG= -0.589043 logG= -0.058569 TDE= -0.342637 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009660 tlogG= -0.047649 logG= -0.057309 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426853 ETOT(band)= -0.468288 trlgG= -0.586967 logG= -0.057309 TDE= -0.341781 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009517 tlogG= -0.046604 logG= -0.056121 Density= 0.428278 ETOT(band)= -0.466774 trlgG= -0.584441 logG= -0.056121 TDE= -0.341619 logGD-logG0= -0.010266 tlogG= -0.047666 logG= -0.057932 Density= 0.428474 ETOT(band)= -0.468058 trlgG= -0.587165 logG= -0.057932 TDE= -0.341891 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009614 tlogG= -0.047768 logG= -0.057382 Density= 0.427357 ETOT(band)= -0.467838 trlgG= -0.585819 logG= -0.057382 TDE= -0.341483 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.021300 logG= -0.026216 logGD-logG0= -0.010773 tlogG= -0.047689 logG= -0.058462 logGD-logG0= -0.009829 tlogG= -0.047851 logG= -0.057680 Density= 0.429320 ETOT(band)= -0.467851 trlgG= -0.587806 logG= -0.057680 TDE= -0.342237 Density= 0.431279 ETOT(band)= -0.467387 trlgG= -0.588689 logG= -0.058462 TDE= -0.342760 Density= 0.162718 ETOT(band)= -0.172959 trlgG= -0.215914 logG= -0.026216 TDE= -0.169874 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009946 tlogG= -0.046398 logG= -0.056343 Density= 0.429713 ETOT(band)= -0.465482 trlgG= -0.581511 logG= -0.056343 TDE= -0.341315 logGD-logG0= -0.010290 tlogG= -0.048219 logG= -0.058509 Density= 0.430223 ETOT(band)= -0.468190 trlgG= -0.589370 logG= -0.058509 TDE= -0.342511 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010329 tlogG= -0.046928 logG= -0.057257 logGD-logG0= -0.010668 tlogG= -0.047727 logG= -0.058395 Density= 0.430063 ETOT(band)= -0.466396 trlgG= -0.584207 logG= -0.057257 TDE= -0.341605 Density= 0.430937 ETOT(band)= -0.467444 trlgG= -0.588330 logG= -0.058395 TDE= -0.342653 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010010 tlogG= -0.047556 logG= -0.057566 Density= 0.428790 ETOT(band)= -0.467404 trlgG= -0.586206 logG= -0.057566 TDE= -0.341936 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010697 tlogG= -0.048014 logG= -0.058711 Density= 0.431520 ETOT(band)= -0.467670 trlgG= -0.589681 logG= -0.058711 TDE= -0.343025 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010727 tlogG= -0.047266 logG= -0.057994 Density= 0.430666 ETOT(band)= -0.467021 trlgG= -0.586859 logG= -0.057994 TDE= -0.342269 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.022326 logG= -0.027169 Density= 0.323009 ETOT(band)= -0.347926 trlgG= -0.434007 logG= -0.027169 TDE= -0.170241 logGD-logG0= -0.010253 tlogG= -0.047568 logG= -0.057821 Density= 0.430193 ETOT(band)= -0.467042 trlgG= -0.586136 logG= -0.057821 TDE= -0.342050 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009984 tlogG= -0.044620 logG= -0.054603 Density= 0.324424 ETOT(band)= -0.346621 trlgG= -0.431952 logG= -0.054603 TDE= -0.340764 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007116 logG= -0.008812 Density= 0.072260 ETOT(band)= -0.076468 trlgG= -0.094841 logG= -0.008812 TDE= -0.056621 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004956 tlogG= -0.022291 logG= -0.027246 Density= 0.214351 ETOT(band)= -0.232403 trlgG= -0.289439 logG= -0.027246 TDE= -0.170159 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004924 tlogG= -0.022472 logG= -0.027396 Density= 0.215113 ETOT(band)= -0.231627 trlgG= -0.288042 logG= -0.027396 TDE= -0.170173 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.021878 logG= -0.026966 Density= 0.216719 ETOT(band)= -0.230251 trlgG= -0.286483 logG= -0.026966 TDE= -0.170219 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005000 tlogG= -0.021349 logG= -0.026349 Density= 0.217112 ETOT(band)= -0.229144 trlgG= -0.284279 logG= -0.026349 TDE= -0.169887 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004958 tlogG= -0.021204 logG= -0.026162 Density= 0.216437 ETOT(band)= -0.230004 trlgG= -0.285536 logG= -0.026162 TDE= -0.169794 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009832 tlogG= -0.044622 logG= -0.054454 Density= 0.431790 ETOT(band)= -0.462011 trlgG= -0.574732 logG= -0.054454 TDE= -0.340400 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.765636546708 eV TrLogG= -407.325733824006 eV Ratio to renormalize= 0.999602719413 rho-rho_expected= 0.008743646591 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 3) Finished k-point number 8 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964628210656348 0.940367253099445 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001489 tlogG= -0.007811 logG= -0.009300 logGD-logG0= -0.001408 tlogG= -0.008044 logG= -0.009452 Density= 0.035328 ETOT(band)= -0.039070 trlgG= -0.048970 logG= -0.009452 TDE= -0.057000 Density= 0.035507 ETOT(band)= -0.038919 trlgG= -0.048606 logG= -0.009300 TDE= -0.056877 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.023974 logG= -0.028332 Density= 0.106215 ETOT(band)= -0.117103 trlgG= -0.146671 logG= -0.028332 TDE= -0.170899 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022407 logG= -0.027431 Density= 0.107681 ETOT(band)= -0.115946 trlgG= -0.144439 logG= -0.027431 TDE= -0.170294 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001694 tlogG= -0.007304 logG= -0.008998 Density= 0.035859 ETOT(band)= -0.038570 trlgG= -0.047909 logG= -0.008998 TDE= -0.056656 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001628 tlogG= -0.006991 logG= -0.008619 Density= 0.036212 ETOT(band)= -0.038121 trlgG= -0.047248 logG= -0.008619 TDE= -0.056548 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004834 tlogG= -0.020988 logG= -0.025822 Density= 0.108758 ETOT(band)= -0.114275 trlgG= -0.141667 logG= -0.025822 TDE= -0.169663 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005021 tlogG= -0.021694 logG= -0.026715 Density= 0.107978 ETOT(band)= -0.115326 trlgG= -0.143255 logG= -0.026715 TDE= -0.169974 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 logGD-logG0= -0.002608 tlogG= -0.012032 logG= -0.014640 Density= 0.053787 ETOT(band)= -0.058524 trlgG= -0.073682 logG= -0.014640 TDE= -0.085659 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.012082 logG= -0.014507 Density= 0.053608 ETOT(band)= -0.058536 trlgG= -0.073625 logG= -0.014507 TDE= -0.085645 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002331 tlogG= -0.011883 logG= -0.014214 Density= 0.053585 ETOT(band)= -0.058392 trlgG= -0.073263 logG= -0.014214 TDE= -0.085566 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002338 tlogG= -0.011447 logG= -0.013786 Density= 0.053760 ETOT(band)= -0.058061 trlgG= -0.072499 logG= -0.013786 TDE= -0.085316 logGD-logG0= -0.002564 tlogG= -0.011983 logG= -0.014548 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054162 ETOT(band)= -0.058286 trlgG= -0.073545 logG= -0.014548 TDE= -0.085799 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004331 tlogG= -0.024051 logG= -0.028382 Density= 0.106163 ETOT(band)= -0.117146 trlgG= -0.146784 logG= -0.028382 TDE= -0.170937 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023429 logG= -0.028587 logGD-logG0= -0.005116 tlogG= -0.022982 logG= -0.028097 Density= 0.108183 ETOT(band)= -0.116091 trlgG= -0.145507 logG= -0.028097 TDE= -0.170944 logGD-logG0= -0.004555 tlogG= -0.024045 logG= -0.028600 Density= 0.106434 ETOT(band)= -0.117135 trlgG= -0.146793 logG= -0.028600 TDE= -0.170862 logGD-logG0= -0.004875 tlogG= -0.022849 logG= -0.027724 Density= 0.108179 ETOT(band)= -0.116361 trlgG= -0.146281 logG= -0.028587 TDE= -0.171227 logGD-logG0= -0.004841 tlogG= -0.023687 logG= -0.028529 logGD-logG0= -0.004966 tlogG= -0.022169 logG= -0.027134 Density= 0.107794 ETOT(band)= -0.116075 trlgG= -0.144924 logG= -0.027724 TDE= -0.170542 logGD-logG0= -0.005290 tlogG= -0.024070 logG= -0.029361 Density= 0.107691 ETOT(band)= -0.117049 trlgG= -0.147509 logG= -0.029361 TDE= -0.171440 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107426 ETOT(band)= -0.116704 trlgG= -0.146391 logG= -0.028529 TDE= -0.171022 logGD-logG0= -0.005162 tlogG= -0.023763 logG= -0.028924 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108226 ETOT(band)= -0.116522 trlgG= -0.146816 logG= -0.028924 TDE= -0.171448 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023949 logG= -0.029098 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108406 ETOT(band)= -0.115413 trlgG= -0.143952 logG= -0.027134 TDE= -0.170463 logGD-logG0= -0.005048 tlogG= -0.022456 logG= -0.027504 Density= 0.108250 ETOT(band)= -0.115719 trlgG= -0.144560 logG= -0.027504 TDE= -0.170623 Density= 0.108277 ETOT(band)= -0.116597 trlgG= -0.147094 logG= -0.029098 TDE= -0.171578 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004633 tlogG= -0.023205 logG= -0.027838 logGD-logG0= -0.005108 tlogG= -0.023215 logG= -0.028323 logGD-logG0= -0.005136 tlogG= -0.023870 logG= -0.029006 Density= 0.108242 ETOT(band)= -0.116184 trlgG= -0.145862 logG= -0.028323 TDE= -0.171103 logGD-logG0= -0.005323 tlogG= -0.023901 logG= -0.029224 logGD-logG0= -0.005298 tlogG= -0.023683 logG= -0.028981 Density= 0.107279 ETOT(band)= -0.116983 trlgG= -0.146841 logG= -0.028981 TDE= -0.170947 logGD-logG0= -0.005139 tlogG= -0.023604 logG= -0.028743 Density= 0.108252 ETOT(band)= -0.116407 trlgG= -0.146525 logG= -0.028743 TDE= -0.171351 logGD-logG0= -0.005300 tlogG= -0.024086 logG= -0.029386 Density= 0.107800 ETOT(band)= -0.116915 trlgG= -0.147294 logG= -0.029224 TDE= -0.171415 logGD-logG0= -0.005332 tlogG= -0.024132 logG= -0.029465 Density= 0.107859 ETOT(band)= -0.117045 trlgG= -0.147698 logG= -0.029465 TDE= -0.171608 Density= 0.108298 ETOT(band)= -0.116533 trlgG= -0.146945 logG= -0.029006 TDE= -0.171530 logGD-logG0= -0.005240 tlogG= -0.023966 logG= -0.029207 Density= 0.107492 ETOT(band)= -0.117035 trlgG= -0.147236 logG= -0.029207 TDE= -0.171222 Density= 0.106782 ETOT(band)= -0.116604 trlgG= -0.145464 logG= -0.027838 TDE= -0.170468 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107936 ETOT(band)= -0.116957 trlgG= -0.147573 logG= -0.029386 TDE= -0.171600 logGD-logG0= -0.002633 tlogG= -0.011987 logG= -0.014621 Density= 0.054007 ETOT(band)= -0.058407 trlgG= -0.073666 logG= -0.014621 TDE= -0.085771 logGD-logG0= -0.005043 tlogG= -0.022733 logG= -0.027776 Density= 0.108296 ETOT(band)= -0.115855 trlgG= -0.144996 logG= -0.027776 TDE= -0.170810 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.023643 logG= -0.028651 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107025 ETOT(band)= -0.116912 trlgG= -0.146291 logG= -0.028651 TDE= -0.170601 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.024092 logG= -0.029097 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107427 ETOT(band)= -0.117014 trlgG= -0.147132 logG= -0.029097 TDE= -0.171196 logGD-logG0= -0.004720 tlogG= -0.022989 logG= -0.027708 Density= 0.106918 ETOT(band)= -0.116473 trlgG= -0.145202 logG= -0.027708 TDE= -0.170402 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005122 tlogG= -0.022874 logG= -0.027997 Density= 0.107663 ETOT(band)= -0.116279 trlgG= -0.145335 logG= -0.027997 TDE= -0.170615 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023499 logG= -0.028244 Density= 0.106819 ETOT(band)= -0.116794 trlgG= -0.145948 logG= -0.028244 TDE= -0.170563 logGD-logG0= -0.004690 tlogG= -0.023668 logG= -0.028358 Density= 0.106644 ETOT(band)= -0.116941 trlgG= -0.146377 logG= -0.028358 TDE= -0.170792 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.023892 logG= -0.028806 Density= 0.106803 ETOT(band)= -0.117095 trlgG= -0.146904 logG= -0.028806 TDE= -0.170949 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.024068 logG= -0.028960 Density= 0.107103 ETOT(band)= -0.117076 trlgG= -0.147158 logG= -0.028960 TDE= -0.171198 logGD-logG0= -0.005313 tlogG= -0.023195 logG= -0.028509 Density= 0.107730 ETOT(band)= -0.116526 trlgG= -0.146144 logG= -0.028509 TDE= -0.170946 logGD-logG0= -0.004719 tlogG= -0.023686 logG= -0.028405 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107022 ETOT(band)= -0.116824 trlgG= -0.146482 logG= -0.028405 TDE= -0.171037 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024057 logG= -0.029332 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107995 ETOT(band)= -0.116890 trlgG= -0.147484 logG= -0.029332 TDE= -0.171594 logGD-logG0= -0.004752 tlogG= -0.022851 logG= -0.027603 Density= 0.107344 ETOT(band)= -0.116219 trlgG= -0.145050 logG= -0.027603 TDE= -0.170566 logGD-logG0= -0.009494 tlogG= -0.045759 logG= -0.055253 Density= 0.215112 ETOT(band)= -0.232272 trlgG= -0.290001 logG= -0.055253 TDE= -0.341196 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023869 logG= -0.029155 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009806 tlogG= -0.048243 logG= -0.058049 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107964 ETOT(band)= -0.116784 trlgG= -0.147188 logG= -0.029155 TDE= -0.171459 Density= 0.214497 ETOT(band)= -0.234111 trlgG= -0.294391 logG= -0.058049 TDE= -0.342486 logGD-logG0= -0.005323 tlogG= -0.023579 logG= -0.028902 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107848 ETOT(band)= -0.116688 trlgG= -0.146773 logG= -0.028902 TDE= -0.171240 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009773 tlogG= -0.045589 logG= -0.055362 Density= 0.214456 ETOT(band)= -0.232622 trlgG= -0.290179 logG= -0.055362 TDE= -0.340941 logGD-logG0= -0.009672 tlogG= -0.047158 logG= -0.056830 logGD-logG0= -0.009952 tlogG= -0.047899 logG= -0.057851 Density= 0.214064 ETOT(band)= -0.234149 trlgG= -0.294080 logG= -0.057851 TDE= -0.342158 Density= 0.213860 ETOT(band)= -0.233705 trlgG= -0.292817 logG= -0.056830 TDE= -0.341815 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009445 tlogG= -0.047446 logG= -0.056892 logGD-logG0= -0.009832 tlogG= -0.047155 logG= -0.056986 Density= 0.214406 ETOT(band)= -0.233536 trlgG= -0.292947 logG= -0.056892 TDE= -0.342154 Density= 0.213871 ETOT(band)= -0.233749 trlgG= -0.292608 logG= -0.056986 TDE= -0.341456 logGD-logG0= -0.010483 tlogG= -0.048081 logG= -0.058563 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215168 ETOT(band)= -0.234087 trlgG= -0.294736 logG= -0.058563 TDE= -0.342648 logGD-logG0= -0.002408 tlogG= -0.010426 logG= -0.012834 logGD-logG0= -0.010528 tlogG= -0.047746 logG= -0.058274 Density= 0.214854 ETOT(band)= -0.234034 trlgG= -0.294225 logG= -0.058274 TDE= -0.342272 logGD-logG0= -0.009558 tlogG= -0.047930 logG= -0.057488 Density= 0.054402 ETOT(band)= -0.057064 trlgG= -0.070694 logG= -0.012834 TDE= -0.084781 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213366 ETOT(band)= -0.234213 trlgG= -0.293532 logG= -0.057488 TDE= -0.341628 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047979 logG= -0.058310 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215170 ETOT(band)= -0.233943 trlgG= -0.294320 logG= -0.058310 TDE= -0.342486 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.047660 logG= -0.057851 Density= 0.214044 ETOT(band)= -0.234136 trlgG= -0.293832 logG= -0.057851 TDE= -0.341901 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010075 tlogG= -0.048028 logG= -0.058103 Density= 0.214628 ETOT(band)= -0.234057 trlgG= -0.294140 logG= -0.058103 TDE= -0.342245 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010392 tlogG= -0.047786 logG= -0.058178 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214752 ETOT(band)= -0.234028 trlgG= -0.294056 logG= -0.058178 TDE= -0.342148 logGD-logG0= -0.009878 tlogG= -0.045649 logG= -0.055527 logGD-logG0= -0.010418 tlogG= -0.047309 logG= -0.057727 Density= 0.215244 ETOT(band)= -0.232347 trlgG= -0.289993 logG= -0.055527 TDE= -0.340980 logGD-logG0= -0.010564 tlogG= -0.048015 logG= -0.058578 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215205 ETOT(band)= -0.234079 trlgG= -0.294763 logG= -0.058578 TDE= -0.342679 logGD-logG0= -0.010621 tlogG= -0.047527 logG= -0.058149 Density= 0.215798 ETOT(band)= -0.233534 trlgG= -0.294107 logG= -0.058149 TDE= -0.342747 logGD-logG0= -0.010547 tlogG= -0.047940 logG= -0.058487 Density= 0.215995 ETOT(band)= -0.233650 trlgG= -0.294669 logG= -0.058487 TDE= -0.343068 Density= 0.214357 ETOT(band)= -0.233929 trlgG= -0.293308 logG= -0.057727 TDE= -0.341656 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010677 tlogG= -0.048145 logG= -0.058822 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215522 ETOT(band)= -0.234104 trlgG= -0.295200 logG= -0.058822 TDE= -0.343029 logGD-logG0= -0.010191 tlogG= -0.046412 logG= -0.056602 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010587 tlogG= -0.047421 logG= -0.058008 logGD-logG0= -0.004494 tlogG= -0.023586 logG= -0.028080 Density= 0.215565 ETOT(band)= -0.233575 trlgG= -0.293868 logG= -0.058008 TDE= -0.342532 Density= 0.215311 ETOT(band)= -0.232909 trlgG= -0.291625 logG= -0.056602 TDE= -0.341570 Density= 0.212711 ETOT(band)= -0.233963 trlgG= -0.292744 logG= -0.028080 TDE= -0.170693 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047889 logG= -0.058490 Density= 0.215866 ETOT(band)= -0.233723 trlgG= -0.294672 logG= -0.058490 TDE= -0.343003 logGD-logG0= -0.001189 tlogG= -0.005171 logG= -0.006360 Density= 0.062568 ETOT(band)= -0.067536 trlgG= -0.084209 logG= -0.006360 TDE= -0.042359 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010629 tlogG= -0.046879 logG= -0.057508 Density= 0.215527 ETOT(band)= -0.233299 trlgG= -0.293067 logG= -0.057508 TDE= -0.342213 logGD-logG0= -0.009129 tlogG= -0.047630 logG= -0.056760 Density= 0.213018 ETOT(band)= -0.234005 trlgG= -0.292888 logG= -0.056760 TDE= -0.341541 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.007965 logG= -0.009400 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.070897 ETOT(band)= -0.077939 trlgG= -0.097455 logG= -0.009400 TDE= -0.056961 logGD-logG0= -0.009800 tlogG= -0.047223 logG= -0.057024 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214572 ETOT(band)= -0.233497 trlgG= -0.292720 logG= -0.057024 TDE= -0.341877 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001574 tlogG= -0.007588 logG= -0.009162 Density= 0.071528 ETOT(band)= -0.077338 trlgG= -0.096157 logG= -0.009162 TDE= -0.056737 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.047152 logG= -0.057254 Density= 0.215247 ETOT(band)= -0.233310 trlgG= -0.292642 logG= -0.057254 TDE= -0.341903 logGD-logG0= -0.002469 tlogG= -0.010841 logG= -0.013309 Density= 0.054087 ETOT(band)= -0.057582 trlgG= -0.071540 logG= -0.013309 TDE= -0.084996 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005001 tlogG= -0.021874 logG= -0.026874 Density= 0.108371 ETOT(band)= -0.115229 trlgG= -0.143503 logG= -0.026874 TDE= -0.170256 logGD-logG0= -0.004915 tlogG= -0.021563 logG= -0.026478 Density= 0.108561 ETOT(band)= -0.114862 trlgG= -0.142823 logG= -0.026478 TDE= -0.170067 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004973 tlogG= -0.022905 logG= -0.027878 Density= 0.214891 ETOT(band)= -0.232370 trlgG= -0.289694 logG= -0.027878 TDE= -0.170430 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.021817 logG= -0.026897 Density= 0.107835 ETOT(band)= -0.115518 trlgG= -0.143565 logG= -0.026897 TDE= -0.170030 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001696 tlogG= -0.007116 logG= -0.008812 Density= 0.072261 ETOT(band)= -0.076470 trlgG= -0.094843 logG= -0.008812 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010036 tlogG= -0.043388 logG= -0.053424 Density= 0.216372 ETOT(band)= -0.230440 trlgG= -0.286486 logG= -0.053424 TDE= -0.340133 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004998 tlogG= -0.021350 logG= -0.026348 Density= 0.217116 ETOT(band)= -0.229151 trlgG= -0.284287 logG= -0.026348 TDE= -0.169893 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004957 tlogG= -0.021205 logG= -0.026162 Density= 0.216441 ETOT(band)= -0.230011 trlgG= -0.285544 logG= -0.026162 TDE= -0.169799 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001239 tlogG= -0.005619 logG= -0.006859 Density= 0.080873 ETOT(band)= -0.086957 trlgG= -0.108610 logG= -0.006859 TDE= -0.042670 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005748 logG= -0.007008 Density= 0.080672 ETOT(band)= -0.087385 trlgG= -0.109613 logG= -0.007008 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005939 logG= -0.007218 Density= 0.080868 ETOT(band)= -0.087635 trlgG= -0.110364 logG= -0.007218 TDE= -0.042866 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005083 tlogG= -0.023956 logG= -0.029039 logGD-logG0= -0.001275 tlogG= -0.005855 logG= -0.007130 Density= 0.214436 ETOT(band)= -0.234062 trlgG= -0.293915 logG= -0.029039 TDE= -0.171061 Density= 0.080684 ETOT(band)= -0.087600 trlgG= -0.110167 logG= -0.007130 TDE= -0.042811 logGD-logG0= -0.005214 tlogG= -0.023414 logG= -0.028628 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004583 tlogG= -0.023972 logG= -0.028555 Density= 0.212901 ETOT(band)= -0.234240 trlgG= -0.293492 logG= -0.028555 TDE= -0.170829 logGD-logG0= -0.005125 tlogG= -0.022439 logG= -0.027564 Density= 0.216465 ETOT(band)= -0.231255 trlgG= -0.288608 logG= -0.027564 TDE= -0.170565 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216295 ETOT(band)= -0.232625 trlgG= -0.292207 logG= -0.028628 TDE= -0.171186 logGD-logG0= -0.005187 tlogG= -0.022967 logG= -0.028154 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216321 ETOT(band)= -0.232052 trlgG= -0.290592 logG= -0.028154 TDE= -0.170899 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004922 tlogG= -0.023882 logG= -0.028804 Density= 0.213882 ETOT(band)= -0.233977 trlgG= -0.293008 logG= -0.028804 TDE= -0.170791 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.023836 logG= -0.028676 logGD-logG0= -0.004745 tlogG= -0.024006 logG= -0.028751 Density= 0.214216 ETOT(band)= -0.234053 trlgG= -0.294133 logG= -0.028751 TDE= -0.171228 logGD-logG0= -0.004789 tlogG= -0.023244 logG= -0.028032 Density= 0.213592 ETOT(band)= -0.233584 trlgG= -0.292229 logG= -0.028032 TDE= -0.170742 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213667 ETOT(band)= -0.234116 trlgG= -0.293745 logG= -0.028676 TDE= -0.171047 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005983 logG= -0.007261 Density= 0.081098 ETOT(band)= -0.087538 trlgG= -0.110417 logG= -0.007261 TDE= -0.042896 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023194 logG= -0.028369 Density= 0.214963 ETOT(band)= -0.232923 trlgG= -0.291224 logG= -0.028369 TDE= -0.170616 logGD-logG0= -0.005441 tlogG= -0.023354 logG= -0.028795 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215203 ETOT(band)= -0.233321 trlgG= -0.292717 logG= -0.028795 TDE= -0.170960 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004658 tlogG= -0.023370 logG= -0.028028 Density= 0.214278 ETOT(band)= -0.233342 trlgG= -0.292341 logG= -0.028028 TDE= -0.170906 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.024000 logG= -0.029231 Density= 0.215784 ETOT(band)= -0.233823 trlgG= -0.294826 logG= -0.029231 TDE= -0.171576 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.023482 logG= -0.028740 Density= 0.215311 ETOT(band)= -0.233295 trlgG= -0.292910 logG= -0.028740 TDE= -0.171166 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.023798 logG= -0.029063 Density= 0.215431 ETOT(band)= -0.233729 trlgG= -0.294172 logG= -0.029063 TDE= -0.171423 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023999 logG= -0.029193 Density= 0.216454 ETOT(band)= -0.233305 trlgG= -0.294349 logG= -0.029193 TDE= -0.171593 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004305 tlogG= -0.024131 logG= -0.028436 Density= 0.212264 ETOT(band)= -0.234343 trlgG= -0.293692 logG= -0.028436 TDE= -0.170976 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.024005 logG= -0.028783 Density= 0.321709 ETOT(band)= -0.351059 trlgG= -0.441343 logG= -0.028783 TDE= -0.171223 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023844 logG= -0.028925 Density= 0.215593 ETOT(band)= -0.233725 trlgG= -0.294276 logG= -0.028925 TDE= -0.171111 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.023367 logG= -0.028057 Density= 0.321778 ETOT(band)= -0.350013 trlgG= -0.438768 logG= -0.028057 TDE= -0.170898 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.023955 logG= -0.029143 Density= 0.216488 ETOT(band)= -0.233201 trlgG= -0.294117 logG= -0.029143 TDE= -0.171566 logGD-logG0= -0.005024 tlogG= -0.024156 logG= -0.029180 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214838 ETOT(band)= -0.234134 trlgG= -0.294530 logG= -0.029180 TDE= -0.171234 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024121 logG= -0.029445 Density= 0.215817 ETOT(band)= -0.233979 trlgG= -0.295241 logG= -0.029445 TDE= -0.171608 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.024162 logG= -0.029211 logGD-logG0= -0.004439 tlogG= -0.023739 logG= -0.028178 Density= 0.213179 ETOT(band)= -0.233555 trlgG= -0.291769 logG= -0.028178 TDE= -0.170777 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322586 ETOT(band)= -0.351171 trlgG= -0.442020 logG= -0.029211 TDE= -0.171229 logGD-logG0= -0.009695 tlogG= -0.046604 logG= -0.056299 Density= 0.322848 ETOT(band)= -0.348968 trlgG= -0.436409 logG= -0.056299 TDE= -0.341606 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010702 tlogG= -0.048039 logG= -0.058741 Density= 0.323394 ETOT(band)= -0.350935 trlgG= -0.442367 logG= -0.058741 TDE= -0.343019 logGD-logG0= -0.005207 tlogG= -0.023761 logG= -0.028968 Density= 0.216377 ETOT(band)= -0.233004 trlgG= -0.293413 logG= -0.028968 TDE= -0.171425 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.023890 logG= -0.028498 Density= 0.213375 ETOT(band)= -0.233830 trlgG= -0.292498 logG= -0.028498 TDE= -0.170781 logGD-logG0= -0.010418 tlogG= -0.047784 logG= -0.058202 logGD-logG0= -0.001585 tlogG= -0.006874 logG= -0.008458 Density= 0.040866 ETOT(band)= -0.042668 trlgG= -0.052799 logG= -0.008458 TDE= -0.056462 Density= 0.324498 ETOT(band)= -0.349863 trlgG= -0.441022 logG= -0.058202 TDE= -0.343026 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023244 logG= -0.028280 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321846 ETOT(band)= -0.350518 trlgG= -0.439618 logG= -0.028280 TDE= -0.170852 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.047234 logG= -0.057698 logGD-logG0= -0.010190 tlogG= -0.045629 logG= -0.055818 Density= 0.324279 ETOT(band)= -0.349497 trlgG= -0.439675 logG= -0.057698 TDE= -0.342634 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324188 ETOT(band)= -0.347900 trlgG= -0.434974 logG= -0.055818 TDE= -0.341453 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023897 logG= -0.029269 logGD-logG0= -0.010463 tlogG= -0.046413 logG= -0.056875 Density= 0.215744 ETOT(band)= -0.233726 trlgG= -0.294554 logG= -0.029269 TDE= -0.171431 Density= 0.324142 ETOT(band)= -0.348842 trlgG= -0.437591 logG= -0.056875 TDE= -0.342077 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005254 tlogG= -0.024083 logG= -0.029338 Density= 0.323209 ETOT(band)= -0.351143 trlgG= -0.442670 logG= -0.029338 TDE= -0.171421 logGD-logG0= -0.001227 tlogG= -0.005468 logG= -0.006694 Density= 0.081236 ETOT(band)= -0.086344 trlgG= -0.107372 logG= -0.006694 TDE= -0.042572 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023956 logG= -0.029313 Density= 0.323809 ETOT(band)= -0.350608 trlgG= -0.442111 logG= -0.029313 TDE= -0.171480 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023683 logG= -0.029103 Density= 0.215505 ETOT(band)= -0.233578 trlgG= -0.293856 logG= -0.029103 TDE= -0.171254 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009459 tlogG= -0.046712 logG= -0.056171 Density= 0.428079 ETOT(band)= -0.466069 trlgG= -0.581855 logG= -0.056171 TDE= -0.341215 logGD-logG0= -0.009652 tlogG= -0.047838 logG= -0.057490 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428227 ETOT(band)= -0.468091 trlgG= -0.587852 logG= -0.057490 TDE= -0.342262 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010265 tlogG= -0.047667 logG= -0.057932 logGD-logG0= -0.004916 tlogG= -0.021300 logG= -0.026216 Density= 0.428481 ETOT(band)= -0.468074 trlgG= -0.587183 logG= -0.057932 TDE= -0.341902 logGD-logG0= -0.004801 tlogG= -0.022326 logG= -0.027128 Density= 0.215123 ETOT(band)= -0.231924 trlgG= -0.289095 logG= -0.027128 TDE= -0.170252 Density= 0.162721 ETOT(band)= -0.172964 trlgG= -0.215920 logG= -0.026216 TDE= -0.169879 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010155 tlogG= -0.048147 logG= -0.058302 Density= 0.429493 ETOT(band)= -0.468201 trlgG= -0.588621 logG= -0.058302 TDE= -0.342308 logGD-logG0= -0.010498 tlogG= -0.048070 logG= -0.058568 Density= 0.430337 ETOT(band)= -0.468035 trlgG= -0.589060 logG= -0.058568 TDE= -0.342648 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009828 tlogG= -0.047852 logG= -0.057680 Density= 0.429327 ETOT(band)= -0.467866 trlgG= -0.587824 logG= -0.057680 TDE= -0.342248 logGD-logG0= -0.010323 tlogG= -0.047955 logG= -0.058279 Density= 0.429396 ETOT(band)= -0.468163 trlgG= -0.588266 logG= -0.058279 TDE= -0.342148 logGD-logG0= -0.010770 tlogG= -0.047691 logG= -0.058461 logGD-logG0= -0.010667 tlogG= -0.047728 logG= -0.058395 Density= 0.430945 ETOT(band)= -0.467459 trlgG= -0.588346 logG= -0.058395 TDE= -0.342665 logGD-logG0= -0.009515 tlogG= -0.046606 logG= -0.056121 Density= 0.428285 ETOT(band)= -0.466790 trlgG= -0.584460 logG= -0.056121 TDE= -0.341631 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431287 ETOT(band)= -0.467401 trlgG= -0.588705 logG= -0.058461 TDE= -0.342772 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009613 tlogG= -0.047769 logG= -0.057382 logGD-logG0= -0.010288 tlogG= -0.048220 logG= -0.058508 Density= 0.427363 ETOT(band)= -0.467855 trlgG= -0.585839 logG= -0.057382 TDE= -0.341495 Density= 0.430231 ETOT(band)= -0.468205 trlgG= -0.589388 logG= -0.058508 TDE= -0.342523 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010694 tlogG= -0.048016 logG= -0.058711 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009659 tlogG= -0.047650 logG= -0.057309 Density= 0.426859 ETOT(band)= -0.468305 trlgG= -0.586987 logG= -0.057309 TDE= -0.341793 Density= 0.431529 ETOT(band)= -0.467684 trlgG= -0.589698 logG= -0.058711 TDE= -0.343036 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010327 tlogG= -0.046929 logG= -0.057257 Density= 0.430070 ETOT(band)= -0.466411 trlgG= -0.584225 logG= -0.057257 TDE= -0.341616 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.046399 logG= -0.056343 Density= 0.429720 ETOT(band)= -0.465498 trlgG= -0.581529 logG= -0.056343 TDE= -0.341327 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010008 tlogG= -0.047558 logG= -0.057566 logGD-logG0= -0.004842 tlogG= -0.022327 logG= -0.027168 Density= 0.428797 ETOT(band)= -0.467419 trlgG= -0.586224 logG= -0.057566 TDE= -0.341947 Density= 0.323014 ETOT(band)= -0.347938 trlgG= -0.434020 logG= -0.027168 TDE= -0.170246 logGD-logG0= -0.001207 tlogG= -0.005307 logG= -0.006514 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.081594 ETOT(band)= -0.085676 trlgG= -0.106212 logG= -0.006514 TDE= -0.042461 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010726 tlogG= -0.047267 logG= -0.057993 Density= 0.430674 ETOT(band)= -0.467035 trlgG= -0.586875 logG= -0.057993 TDE= -0.342281 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010251 tlogG= -0.047569 logG= -0.057820 Density= 0.430201 ETOT(band)= -0.467057 trlgG= -0.586153 logG= -0.057820 TDE= -0.342061 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008968 tlogG= -0.048095 logG= -0.057063 Density= 0.425719 ETOT(band)= -0.468279 trlgG= -0.586470 logG= -0.057063 TDE= -0.341775 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009982 tlogG= -0.044621 logG= -0.054603 Density= 0.324430 ETOT(band)= -0.346632 trlgG= -0.431964 logG= -0.054603 TDE= -0.340775 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022291 logG= -0.027246 Density= 0.214354 ETOT(band)= -0.232412 trlgG= -0.289448 logG= -0.027246 TDE= -0.170165 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004923 tlogG= -0.022473 logG= -0.027396 Density= 0.215117 ETOT(band)= -0.231635 trlgG= -0.288051 logG= -0.027396 TDE= -0.170178 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.021879 logG= -0.026966 Density= 0.216722 ETOT(band)= -0.230258 trlgG= -0.286490 logG= -0.026966 TDE= -0.170225 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009830 tlogG= -0.044624 logG= -0.054453 Density= 0.431797 ETOT(band)= -0.462026 trlgG= -0.574748 logG= -0.054453 TDE= -0.340412 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.776119315518 eV TrLogG= -407.340509743772 eV Ratio to renormalize= 0.999585231922 rho-rho_expected= 0.009128684011 nargs= 1 argi=dmft2.def 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 22) Finished k-point number 45 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 34) Finished k-point number 70 2 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964661454139062 0.940401322181470 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.001489 tlogG= -0.007811 logG= -0.009300 Density= 0.035507 ETOT(band)= -0.038919 trlgG= -0.048605 logG= -0.009300 TDE= -0.056876 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001408 tlogG= -0.008044 logG= -0.009452 Density= 0.035328 ETOT(band)= -0.039070 trlgG= -0.048970 logG= -0.009452 TDE= -0.057000 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004331 tlogG= -0.024050 logG= -0.028382 Density= 0.106163 ETOT(band)= -0.117145 trlgG= -0.146782 logG= -0.028382 TDE= -0.170935 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.023973 logG= -0.028332 Density= 0.106215 ETOT(band)= -0.117101 trlgG= -0.146669 logG= -0.028332 TDE= -0.170898 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004633 tlogG= -0.023204 logG= -0.027837 Density= 0.106782 ETOT(band)= -0.116602 trlgG= -0.145463 logG= -0.027837 TDE= -0.170466 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002608 tlogG= -0.012032 logG= -0.014640 Density= 0.053787 ETOT(band)= -0.058524 trlgG= -0.073681 logG= -0.014640 TDE= -0.085658 logGD-logG0= -0.002331 tlogG= -0.011883 logG= -0.014214 Density= 0.053585 ETOT(band)= -0.058391 trlgG= -0.073262 logG= -0.014214 TDE= -0.085565 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.012081 logG= -0.014507 Density= 0.053608 ETOT(band)= -0.058535 trlgG= -0.073624 logG= -0.014507 TDE= -0.085645 logGD-logG0= -0.004720 tlogG= -0.022988 logG= -0.027708 Density= 0.106918 ETOT(band)= -0.116471 trlgG= -0.145200 logG= -0.027708 TDE= -0.170400 logGD-logG0= -0.005024 tlogG= -0.022407 logG= -0.027431 Density= 0.107681 ETOT(band)= -0.115945 trlgG= -0.144438 logG= -0.027431 TDE= -0.170293 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002338 tlogG= -0.011447 logG= -0.013785 Density= 0.053760 ETOT(band)= -0.058061 trlgG= -0.072498 logG= -0.013785 TDE= -0.085316 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.022456 logG= -0.027504 Density= 0.108250 ETOT(band)= -0.115718 trlgG= -0.144559 logG= -0.027504 TDE= -0.170622 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005157 tlogG= -0.023429 logG= -0.028586 logGD-logG0= -0.005149 tlogG= -0.023949 logG= -0.029098 Density= 0.108178 ETOT(band)= -0.116360 trlgG= -0.146279 logG= -0.028586 TDE= -0.171225 Density= 0.108277 ETOT(band)= -0.116596 trlgG= -0.147093 logG= -0.029098 TDE= -0.171576 logGD-logG0= -0.005290 tlogG= -0.024070 logG= -0.029360 Density= 0.107690 ETOT(band)= -0.117048 trlgG= -0.147508 logG= -0.029360 TDE= -0.171438 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002565 tlogG= -0.011983 logG= -0.014548 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022981 logG= -0.028097 Density= 0.054162 ETOT(band)= -0.058286 trlgG= -0.073544 logG= -0.014548 TDE= -0.085798 Density= 0.108182 ETOT(band)= -0.116090 trlgG= -0.145505 logG= -0.028097 TDE= -0.170942 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004555 tlogG= -0.024045 logG= -0.028600 logGD-logG0= -0.005162 tlogG= -0.023762 logG= -0.028924 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108226 ETOT(band)= -0.116521 trlgG= -0.146815 logG= -0.028924 TDE= -0.171446 Density= 0.106434 ETOT(band)= -0.117133 trlgG= -0.146791 logG= -0.028600 TDE= -0.170860 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004966 tlogG= -0.022168 logG= -0.027134 logGD-logG0= -0.002633 tlogG= -0.011987 logG= -0.014621 Density= 0.108406 ETOT(band)= -0.115412 trlgG= -0.143951 logG= -0.027134 TDE= -0.170461 Density= 0.054007 ETOT(band)= -0.058407 trlgG= -0.073665 logG= -0.014621 TDE= -0.085770 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005333 tlogG= -0.024132 logG= -0.029464 logGD-logG0= -0.004842 tlogG= -0.023687 logG= -0.028529 Density= 0.107859 ETOT(band)= -0.117044 trlgG= -0.147697 logG= -0.029464 TDE= -0.171606 Density= 0.107425 ETOT(band)= -0.116703 trlgG= -0.146390 logG= -0.028529 TDE= -0.171020 logGD-logG0= -0.005139 tlogG= -0.023604 logG= -0.028743 Density= 0.108251 ETOT(band)= -0.116406 trlgG= -0.146524 logG= -0.028743 TDE= -0.171349 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.022849 logG= -0.027724 logGD-logG0= -0.001628 tlogG= -0.006991 logG= -0.008619 Density= 0.036212 ETOT(band)= -0.038121 trlgG= -0.047247 logG= -0.008619 TDE= -0.056548 logGD-logG0= -0.005298 tlogG= -0.023683 logG= -0.028980 Density= 0.107278 ETOT(band)= -0.116982 trlgG= -0.146840 logG= -0.028980 TDE= -0.170946 logGD-logG0= -0.005005 tlogG= -0.024091 logG= -0.029096 Density= 0.107427 ETOT(band)= -0.117013 trlgG= -0.147130 logG= -0.029096 TDE= -0.171194 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005009 tlogG= -0.023642 logG= -0.028651 Density= 0.107025 ETOT(band)= -0.116911 trlgG= -0.146290 logG= -0.028651 TDE= -0.170600 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005109 tlogG= -0.023214 logG= -0.028323 Density= 0.107794 ETOT(band)= -0.116074 trlgG= -0.144922 logG= -0.027724 TDE= -0.170540 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001694 tlogG= -0.007304 logG= -0.008998 Density= 0.035859 ETOT(band)= -0.038570 trlgG= -0.047908 logG= -0.008998 TDE= -0.056655 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.108242 ETOT(band)= -0.116183 trlgG= -0.145861 logG= -0.028323 TDE= -0.171101 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010425 logG= -0.012834 Density= 0.054402 ETOT(band)= -0.057064 trlgG= -0.070693 logG= -0.012834 TDE= -0.084780 logGD-logG0= -0.005123 tlogG= -0.022874 logG= -0.027997 logGD-logG0= -0.005323 tlogG= -0.023901 logG= -0.029224 Density= 0.107799 ETOT(band)= -0.116914 trlgG= -0.147293 logG= -0.029224 TDE= -0.171413 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.107663 ETOT(band)= -0.116278 trlgG= -0.145334 logG= -0.027997 TDE= -0.170614 logGD-logG0= -0.005241 tlogG= -0.023966 logG= -0.029206 logGD-logG0= -0.004690 tlogG= -0.023668 logG= -0.028358 Density= 0.107491 ETOT(band)= -0.117034 trlgG= -0.147235 logG= -0.029206 TDE= -0.171220 Density= 0.106644 ETOT(band)= -0.116940 trlgG= -0.146376 logG= -0.028358 TDE= -0.170790 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.023892 logG= -0.028806 logGD-logG0= -0.005136 tlogG= -0.023870 logG= -0.029006 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108297 ETOT(band)= -0.116532 trlgG= -0.146944 logG= -0.029006 TDE= -0.171529 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106803 ETOT(band)= -0.117094 trlgG= -0.146902 logG= -0.028806 TDE= -0.170948 logGD-logG0= -0.004720 tlogG= -0.023685 logG= -0.028405 Density= 0.107022 ETOT(band)= -0.116822 trlgG= -0.146481 logG= -0.028405 TDE= -0.171035 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024086 logG= -0.029386 Density= 0.107936 ETOT(band)= -0.116956 trlgG= -0.147572 logG= -0.029386 TDE= -0.171598 logGD-logG0= -0.005286 tlogG= -0.023869 logG= -0.029155 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107964 ETOT(band)= -0.116782 trlgG= -0.147186 logG= -0.029155 TDE= -0.171458 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024057 logG= -0.029332 logGD-logG0= -0.004892 tlogG= -0.024068 logG= -0.028960 Density= 0.107995 ETOT(band)= -0.116889 trlgG= -0.147483 logG= -0.029332 TDE= -0.171593 Density= 0.107103 ETOT(band)= -0.117075 trlgG= -0.147157 logG= -0.028960 TDE= -0.171197 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022851 logG= -0.027603 Density= 0.107343 ETOT(band)= -0.116218 trlgG= -0.145048 logG= -0.027603 TDE= -0.170564 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.023578 logG= -0.028902 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107848 ETOT(band)= -0.116686 trlgG= -0.146772 logG= -0.028902 TDE= -0.171238 logGD-logG0= -0.005044 tlogG= -0.022732 logG= -0.027776 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108295 ETOT(band)= -0.115854 trlgG= -0.144994 logG= -0.027776 TDE= -0.170808 logGD-logG0= -0.005314 tlogG= -0.023195 logG= -0.028508 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009806 tlogG= -0.048242 logG= -0.058048 logGD-logG0= -0.009773 tlogG= -0.045588 logG= -0.055362 Density= 0.214496 ETOT(band)= -0.234108 trlgG= -0.294388 logG= -0.058048 TDE= -0.342483 logGD-logG0= -0.009129 tlogG= -0.047630 logG= -0.056759 Density= 0.213017 ETOT(band)= -0.234002 trlgG= -0.292885 logG= -0.056759 TDE= -0.341538 Density= 0.107730 ETOT(band)= -0.116525 trlgG= -0.146143 logG= -0.028508 TDE= -0.170945 Density= 0.214456 ETOT(band)= -0.232620 trlgG= -0.290176 logG= -0.055362 TDE= -0.340938 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009494 tlogG= -0.045758 logG= -0.055253 logGD-logG0= -0.009558 tlogG= -0.047930 logG= -0.057488 Density= 0.215111 ETOT(band)= -0.232270 trlgG= -0.289998 logG= -0.055253 TDE= -0.341193 Density= 0.213366 ETOT(band)= -0.234211 trlgG= -0.293528 logG= -0.057488 TDE= -0.341625 logGD-logG0= -0.009952 tlogG= -0.047898 logG= -0.057850 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214063 ETOT(band)= -0.234147 trlgG= -0.294076 logG= -0.057850 TDE= -0.342155 logGD-logG0= -0.010528 tlogG= -0.047745 logG= -0.058273 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214853 ETOT(band)= -0.234032 trlgG= -0.294222 logG= -0.058273 TDE= -0.342269 logGD-logG0= -0.009673 tlogG= -0.047157 logG= -0.056830 Density= 0.213860 ETOT(band)= -0.233703 trlgG= -0.292813 logG= -0.056830 TDE= -0.341812 logGD-logG0= -0.004915 tlogG= -0.021563 logG= -0.026478 Density= 0.108561 ETOT(band)= -0.114861 trlgG= -0.142822 logG= -0.026478 TDE= -0.170066 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047978 logG= -0.058310 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215170 ETOT(band)= -0.233940 trlgG= -0.294317 logG= -0.058310 TDE= -0.342484 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010483 tlogG= -0.048080 logG= -0.058563 logGD-logG0= -0.010392 tlogG= -0.047785 logG= -0.058177 Density= 0.215167 ETOT(band)= -0.234085 trlgG= -0.294733 logG= -0.058563 TDE= -0.342645 Density= 0.214752 ETOT(band)= -0.234026 trlgG= -0.294053 logG= -0.058177 TDE= -0.342146 logGD-logG0= -0.009446 tlogG= -0.047445 logG= -0.056891 logGD-logG0= -0.009879 tlogG= -0.045648 logG= -0.055526 Density= 0.214405 ETOT(band)= -0.233534 trlgG= -0.292944 logG= -0.056891 TDE= -0.342151 logGD-logG0= -0.004834 tlogG= -0.020988 logG= -0.025822 Density= 0.108757 ETOT(band)= -0.114274 trlgG= -0.141666 logG= -0.025822 TDE= -0.169662 logGD-logG0= -0.010076 tlogG= -0.048027 logG= -0.058103 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010564 tlogG= -0.048014 logG= -0.058578 Density= 0.215204 ETOT(band)= -0.234076 trlgG= -0.294760 logG= -0.058578 TDE= -0.342676 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.047308 logG= -0.057726 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214627 ETOT(band)= -0.234055 trlgG= -0.294137 logG= -0.058103 TDE= -0.342242 Density= 0.214356 ETOT(band)= -0.233926 trlgG= -0.293305 logG= -0.057726 TDE= -0.341653 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010622 tlogG= -0.047526 logG= -0.058148 Density= 0.215797 ETOT(band)= -0.233532 trlgG= -0.294105 logG= -0.058148 TDE= -0.342744 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215244 ETOT(band)= -0.232345 trlgG= -0.289990 logG= -0.055526 TDE= -0.340977 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010547 tlogG= -0.047939 logG= -0.058486 Density= 0.215994 ETOT(band)= -0.233648 trlgG= -0.294667 logG= -0.058486 TDE= -0.343065 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010191 tlogG= -0.046411 logG= -0.056602 logGD-logG0= -0.010192 tlogG= -0.047659 logG= -0.057851 Density= 0.214044 ETOT(band)= -0.234134 trlgG= -0.293829 logG= -0.057851 TDE= -0.341898 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215310 ETOT(band)= -0.232907 trlgG= -0.291622 logG= -0.056602 TDE= -0.341567 logGD-logG0= -0.010677 tlogG= -0.048144 logG= -0.058822 logGD-logG0= -0.009832 tlogG= -0.047154 logG= -0.056986 Density= 0.213871 ETOT(band)= -0.233747 trlgG= -0.292605 logG= -0.056986 TDE= -0.341453 Density= 0.215521 ETOT(band)= -0.234102 trlgG= -0.295197 logG= -0.058822 TDE= -0.343026 logGD-logG0= -0.010587 tlogG= -0.047421 logG= -0.058007 logGD-logG0= -0.002469 tlogG= -0.010840 logG= -0.013309 Density= 0.054086 ETOT(band)= -0.057581 trlgG= -0.071540 logG= -0.013309 TDE= -0.084995 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047888 logG= -0.058490 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215564 ETOT(band)= -0.233573 trlgG= -0.293865 logG= -0.058007 TDE= -0.342529 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.215865 ETOT(band)= -0.233721 trlgG= -0.294669 logG= -0.058490 TDE= -0.343000 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005080 tlogG= -0.021817 logG= -0.026897 Density= 0.107835 ETOT(band)= -0.115517 trlgG= -0.143563 logG= -0.026897 TDE= -0.170028 logGD-logG0= -0.010629 tlogG= -0.046878 logG= -0.057507 logGD-logG0= -0.009801 tlogG= -0.047223 logG= -0.057023 Density= 0.215526 ETOT(band)= -0.233296 trlgG= -0.293065 logG= -0.057507 TDE= -0.342210 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214571 ETOT(band)= -0.233495 trlgG= -0.292717 logG= -0.057023 TDE= -0.341874 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023499 logG= -0.028244 Density= 0.106819 ETOT(band)= -0.116793 trlgG= -0.145946 logG= -0.028244 TDE= -0.170562 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.021694 logG= -0.026714 Density= 0.107978 ETOT(band)= -0.115325 trlgG= -0.143254 logG= -0.026714 TDE= -0.169972 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010102 tlogG= -0.047151 logG= -0.057253 Density= 0.215246 ETOT(band)= -0.233308 trlgG= -0.292639 logG= -0.057253 TDE= -0.341901 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.021874 logG= -0.026874 Density= 0.108371 ETOT(band)= -0.115228 trlgG= -0.143502 logG= -0.026874 TDE= -0.170255 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010036 tlogG= -0.043388 logG= -0.053424 Density= 0.216371 ETOT(band)= -0.230438 trlgG= -0.286483 logG= -0.053424 TDE= -0.340131 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001435 tlogG= -0.007965 logG= -0.009400 Density= 0.070897 ETOT(band)= -0.077939 trlgG= -0.097453 logG= -0.009400 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004305 tlogG= -0.024130 logG= -0.028436 Density= 0.212263 ETOT(band)= -0.234341 trlgG= -0.293688 logG= -0.028436 TDE= -0.170974 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006874 logG= -0.008458 logGD-logG0= -0.004439 tlogG= -0.023739 logG= -0.028178 Density= 0.213179 ETOT(band)= -0.233553 trlgG= -0.291766 logG= -0.028178 TDE= -0.170776 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040866 ETOT(band)= -0.042668 trlgG= -0.052798 logG= -0.008458 TDE= -0.056462 logGD-logG0= -0.001279 tlogG= -0.005939 logG= -0.007218 logGD-logG0= -0.001189 tlogG= -0.005171 logG= -0.006360 Density= 0.062568 ETOT(band)= -0.067535 trlgG= -0.084209 logG= -0.006360 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080868 ETOT(band)= -0.087634 trlgG= -0.110363 logG= -0.007218 TDE= -0.042865 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004494 tlogG= -0.023585 logG= -0.028080 Density= 0.212711 ETOT(band)= -0.233960 trlgG= -0.292740 logG= -0.028080 TDE= -0.170691 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001260 tlogG= -0.005747 logG= -0.007008 Density= 0.080671 ETOT(band)= -0.087384 trlgG= -0.109611 logG= -0.007008 TDE= -0.042746 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005619 logG= -0.006858 Density= 0.080873 ETOT(band)= -0.086956 trlgG= -0.108609 logG= -0.006858 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004974 tlogG= -0.022904 logG= -0.027878 Density= 0.214890 ETOT(band)= -0.232368 trlgG= -0.289691 logG= -0.027878 TDE= -0.170428 logGD-logG0= -0.001275 tlogG= -0.005855 logG= -0.007130 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080684 ETOT(band)= -0.087599 trlgG= -0.110166 logG= -0.007130 TDE= -0.042811 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.024000 logG= -0.029231 Density= 0.215784 ETOT(band)= -0.233821 trlgG= -0.294823 logG= -0.029231 TDE= -0.171574 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005983 logG= -0.007261 Density= 0.081097 ETOT(band)= -0.087537 trlgG= -0.110416 logG= -0.007261 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001574 tlogG= -0.007588 logG= -0.009162 Density= 0.071528 ETOT(band)= -0.077337 trlgG= -0.096156 logG= -0.009162 TDE= -0.056736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005265 tlogG= -0.023798 logG= -0.029063 Density= 0.215431 ETOT(band)= -0.233727 trlgG= -0.294169 logG= -0.029063 TDE= -0.171422 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023998 logG= -0.029193 Density= 0.216453 ETOT(band)= -0.233303 trlgG= -0.294346 logG= -0.029193 TDE= -0.171592 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.023482 logG= -0.028740 Density= 0.215310 ETOT(band)= -0.233293 trlgG= -0.292907 logG= -0.028740 TDE= -0.171165 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.024005 logG= -0.028783 Density= 0.321708 ETOT(band)= -0.351056 trlgG= -0.441339 logG= -0.028783 TDE= -0.171222 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005081 tlogG= -0.023844 logG= -0.028925 Density= 0.215593 ETOT(band)= -0.233723 trlgG= -0.294273 logG= -0.028925 TDE= -0.171109 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.024161 logG= -0.029211 Density= 0.322585 ETOT(band)= -0.351168 trlgG= -0.442015 logG= -0.029211 TDE= -0.171228 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001207 tlogG= -0.005307 logG= -0.006514 Density= 0.081594 ETOT(band)= -0.085676 trlgG= -0.106211 logG= -0.006514 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010190 tlogG= -0.045628 logG= -0.055818 Density= 0.324187 ETOT(band)= -0.347897 trlgG= -0.434970 logG= -0.055818 TDE= -0.341450 logGD-logG0= -0.004583 tlogG= -0.023972 logG= -0.028554 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212901 ETOT(band)= -0.234237 trlgG= -0.293488 logG= -0.028554 TDE= -0.170828 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.023366 logG= -0.028056 logGD-logG0= -0.005083 tlogG= -0.023956 logG= -0.029039 Density= 0.214435 ETOT(band)= -0.234060 trlgG= -0.293912 logG= -0.029039 TDE= -0.171060 Density= 0.321777 ETOT(band)= -0.350010 trlgG= -0.438764 logG= -0.028056 TDE= -0.170897 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010465 tlogG= -0.047233 logG= -0.057698 logGD-logG0= -0.005208 tlogG= -0.023761 logG= -0.028968 logGD-logG0= -0.005126 tlogG= -0.022438 logG= -0.027564 Density= 0.216465 ETOT(band)= -0.231253 trlgG= -0.288605 logG= -0.027564 TDE= -0.170563 Density= 0.216376 ETOT(band)= -0.233002 trlgG= -0.293410 logG= -0.028968 TDE= -0.171424 logGD-logG0= -0.005324 tlogG= -0.024121 logG= -0.029445 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.047783 logG= -0.058202 Density= 0.324497 ETOT(band)= -0.349860 trlgG= -0.441018 logG= -0.058202 TDE= -0.343023 logGD-logG0= -0.004922 tlogG= -0.023882 logG= -0.028804 Density= 0.213882 ETOT(band)= -0.233975 trlgG= -0.293005 logG= -0.028804 TDE= -0.170789 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215816 ETOT(band)= -0.233977 trlgG= -0.295238 logG= -0.029445 TDE= -0.171606 logGD-logG0= -0.010702 tlogG= -0.048038 logG= -0.058740 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323393 ETOT(band)= -0.350932 trlgG= -0.442362 logG= -0.058740 TDE= -0.343016 Density= 0.324278 ETOT(band)= -0.349494 trlgG= -0.439671 logG= -0.057698 TDE= -0.342631 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.024156 logG= -0.029180 logGD-logG0= -0.005215 tlogG= -0.023414 logG= -0.028628 Density= 0.214837 ETOT(band)= -0.234132 trlgG= -0.294527 logG= -0.029180 TDE= -0.171233 Density= 0.216294 ETOT(band)= -0.232623 trlgG= -0.292204 logG= -0.028628 TDE= -0.171185 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023897 logG= -0.029269 Density= 0.215743 ETOT(band)= -0.233723 trlgG= -0.294551 logG= -0.029269 TDE= -0.171430 logGD-logG0= -0.010463 tlogG= -0.046412 logG= -0.056875 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009696 tlogG= -0.046603 logG= -0.056299 Density= 0.324140 ETOT(band)= -0.348839 trlgG= -0.437587 logG= -0.056875 TDE= -0.342074 Density= 0.322847 ETOT(band)= -0.348965 trlgG= -0.436405 logG= -0.056299 TDE= -0.341603 logGD-logG0= -0.001696 tlogG= -0.007116 logG= -0.008812 Density= 0.072261 ETOT(band)= -0.076470 trlgG= -0.094843 logG= -0.008812 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004789 tlogG= -0.023243 logG= -0.028032 Density= 0.213592 ETOT(band)= -0.233581 trlgG= -0.292225 logG= -0.028032 TDE= -0.170741 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.023835 logG= -0.028675 Density= 0.213667 ETOT(band)= -0.234113 trlgG= -0.293741 logG= -0.028675 TDE= -0.171045 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023243 logG= -0.028279 Density= 0.321845 ETOT(band)= -0.350515 trlgG= -0.439614 logG= -0.028279 TDE= -0.170851 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.024006 logG= -0.028751 logGD-logG0= -0.005255 tlogG= -0.024083 logG= -0.029338 Density= 0.214215 ETOT(band)= -0.234051 trlgG= -0.294130 logG= -0.028751 TDE= -0.171227 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323207 ETOT(band)= -0.351140 trlgG= -0.442666 logG= -0.029338 TDE= -0.171420 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023956 logG= -0.029313 Density= 0.323807 ETOT(band)= -0.350604 trlgG= -0.442106 logG= -0.029313 TDE= -0.171478 logGD-logG0= -0.005175 tlogG= -0.023194 logG= -0.028369 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214962 ETOT(band)= -0.232921 trlgG= -0.291221 logG= -0.028369 TDE= -0.170615 logGD-logG0= -0.004658 tlogG= -0.023369 logG= -0.028028 Density= 0.214277 ETOT(band)= -0.233339 trlgG= -0.292338 logG= -0.028028 TDE= -0.170905 logGD-logG0= -0.004955 tlogG= -0.022291 logG= -0.027246 Density= 0.214353 ETOT(band)= -0.232409 trlgG= -0.289445 logG= -0.027246 TDE= -0.170164 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023683 logG= -0.029103 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215504 ETOT(band)= -0.233576 trlgG= -0.293853 logG= -0.029103 TDE= -0.171253 logGD-logG0= -0.004923 tlogG= -0.022472 logG= -0.027395 Density= 0.215116 ETOT(band)= -0.231633 trlgG= -0.288048 logG= -0.027395 TDE= -0.170177 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047837 logG= -0.057489 Density= 0.428225 ETOT(band)= -0.468087 trlgG= -0.587846 logG= -0.057489 TDE= -0.342259 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008968 tlogG= -0.048094 logG= -0.057062 Density= 0.425718 ETOT(band)= -0.468274 trlgG= -0.586464 logG= -0.057062 TDE= -0.341772 logGD-logG0= -0.010155 tlogG= -0.048146 logG= -0.058301 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429492 ETOT(band)= -0.468197 trlgG= -0.588615 logG= -0.058301 TDE= -0.342305 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009459 tlogG= -0.046711 logG= -0.056171 Density= 0.428078 ETOT(band)= -0.466064 trlgG= -0.581848 logG= -0.056171 TDE= -0.341212 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047955 logG= -0.058278 Density= 0.429395 ETOT(band)= -0.468159 trlgG= -0.588260 logG= -0.058278 TDE= -0.342145 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010265 tlogG= -0.047666 logG= -0.057931 Density= 0.428480 ETOT(band)= -0.468069 trlgG= -0.587177 logG= -0.057931 TDE= -0.341900 logGD-logG0= -0.005188 tlogG= -0.023955 logG= -0.029143 Density= 0.216487 ETOT(band)= -0.233199 trlgG= -0.294114 logG= -0.029143 TDE= -0.171565 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023354 logG= -0.028795 Density= 0.215202 ETOT(band)= -0.233319 trlgG= -0.292714 logG= -0.028795 TDE= -0.170959 logGD-logG0= -0.010498 tlogG= -0.048069 logG= -0.058567 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430336 ETOT(band)= -0.468031 trlgG= -0.589054 logG= -0.058567 TDE= -0.342645 logGD-logG0= -0.010288 tlogG= -0.048219 logG= -0.058508 Density= 0.430229 ETOT(band)= -0.468201 trlgG= -0.589382 logG= -0.058508 TDE= -0.342520 logGD-logG0= -0.009659 tlogG= -0.047649 logG= -0.057308 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.426858 ETOT(band)= -0.468300 trlgG= -0.586980 logG= -0.057308 TDE= -0.341790 logGD-logG0= -0.009828 tlogG= -0.047851 logG= -0.057679 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.429326 ETOT(band)= -0.467862 trlgG= -0.587818 logG= -0.057679 TDE= -0.342246 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010667 tlogG= -0.047727 logG= -0.058394 Density= 0.430944 ETOT(band)= -0.467454 trlgG= -0.588340 logG= -0.058394 TDE= -0.342662 logGD-logG0= -0.010770 tlogG= -0.047690 logG= -0.058460 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431286 ETOT(band)= -0.467397 trlgG= -0.588699 logG= -0.058460 TDE= -0.342769 logGD-logG0= -0.009515 tlogG= -0.046605 logG= -0.056120 Density= 0.428284 ETOT(band)= -0.466785 trlgG= -0.584454 logG= -0.056120 TDE= -0.341628 logGD-logG0= -0.004916 tlogG= -0.021300 logG= -0.026216 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162721 ETOT(band)= -0.172962 trlgG= -0.215918 logG= -0.026216 TDE= -0.169878 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010328 tlogG= -0.046929 logG= -0.057256 logGD-logG0= -0.009944 tlogG= -0.046398 logG= -0.056342 logGD-logG0= -0.010008 tlogG= -0.047557 logG= -0.057565 Density= 0.430069 ETOT(band)= -0.466407 trlgG= -0.584219 logG= -0.057256 TDE= -0.341613 Density= 0.429718 ETOT(band)= -0.465493 trlgG= -0.581523 logG= -0.056342 TDE= -0.341324 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428796 ETOT(band)= -0.467415 trlgG= -0.586218 logG= -0.057565 TDE= -0.341944 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010695 tlogG= -0.048015 logG= -0.058710 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431527 ETOT(band)= -0.467680 trlgG= -0.589692 logG= -0.058710 TDE= -0.343033 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.022967 logG= -0.028154 Density= 0.216320 ETOT(band)= -0.232050 trlgG= -0.290589 logG= -0.028154 TDE= -0.170898 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004842 tlogG= -0.022326 logG= -0.027168 Density= 0.323013 ETOT(band)= -0.347934 trlgG= -0.434016 logG= -0.027168 TDE= -0.170245 logGD-logG0= -0.005088 tlogG= -0.021878 logG= -0.026966 logGD-logG0= -0.010726 tlogG= -0.047266 logG= -0.057993 logGD-logG0= -0.009613 tlogG= -0.047768 logG= -0.057381 Density= 0.427362 ETOT(band)= -0.467850 trlgG= -0.585832 logG= -0.057381 TDE= -0.341492 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430672 ETOT(band)= -0.467031 trlgG= -0.586869 logG= -0.057993 TDE= -0.342278 Density= 0.216722 ETOT(band)= -0.230256 trlgG= -0.286488 logG= -0.026966 TDE= -0.170223 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010252 tlogG= -0.047568 logG= -0.057820 Density= 0.430200 ETOT(band)= -0.467053 trlgG= -0.586147 logG= -0.057820 TDE= -0.342058 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004999 tlogG= -0.021350 logG= -0.026348 Density= 0.217115 ETOT(band)= -0.229149 trlgG= -0.284284 logG= -0.026348 TDE= -0.169891 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005468 logG= -0.006694 Density= 0.081235 ETOT(band)= -0.086343 trlgG= -0.107371 logG= -0.006694 TDE= -0.042572 logGD-logG0= -0.009982 tlogG= -0.044620 logG= -0.054602 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324429 ETOT(band)= -0.346629 trlgG= -0.431960 logG= -0.054602 TDE= -0.340772 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.023889 logG= -0.028498 Density= 0.213374 ETOT(band)= -0.233828 trlgG= -0.292495 logG= -0.028498 TDE= -0.170780 logGD-logG0= -0.004802 tlogG= -0.022326 logG= -0.027127 Density= 0.215122 ETOT(band)= -0.231922 trlgG= -0.289092 logG= -0.027127 TDE= -0.170250 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.021205 logG= -0.026162 Density= 0.216440 ETOT(band)= -0.230009 trlgG= -0.285541 logG= -0.026162 TDE= -0.169798 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009830 tlogG= -0.044623 logG= -0.054453 Density= 0.431795 ETOT(band)= -0.462022 trlgG= -0.574743 logG= -0.054453 TDE= -0.340409 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.773082883151 eV TrLogG= -407.335834400037 eV Ratio to renormalize= 0.999588574970 rho-rho_expected= 0.009055076145 nargs= 1 argi=dmft2.def 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 15) Finished k-point number 31 1 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 11) Finished k-point number 24 2 with #bands= 9 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 13) Finished k-point number 27 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 24) Finished k-point number 50 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 58) Finished k-point number 117 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964639964327094 0.940376276642485 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002331 tlogG= -0.011882 logG= -0.014213 Density= 0.053585 ETOT(band)= -0.058390 trlgG= -0.073261 logG= -0.014213 TDE= -0.085564 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002338 tlogG= -0.011447 logG= -0.013785 Density= 0.053760 ETOT(band)= -0.058060 trlgG= -0.072497 logG= -0.013785 TDE= -0.085315 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.023641 logG= -0.028650 Density= 0.107024 ETOT(band)= -0.116909 trlgG= -0.146287 logG= -0.028650 TDE= -0.170598 logGD-logG0= -0.005298 tlogG= -0.023681 logG= -0.028979 Density= 0.107278 ETOT(band)= -0.116980 trlgG= -0.146837 logG= -0.028979 TDE= -0.170944 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004892 tlogG= -0.024067 logG= -0.028959 Density= 0.107103 ETOT(band)= -0.117073 trlgG= -0.147154 logG= -0.028959 TDE= -0.171195 logGD-logG0= -0.005314 tlogG= -0.023194 logG= -0.028507 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107730 ETOT(band)= -0.116524 trlgG= -0.146140 logG= -0.028507 TDE= -0.170943 logGD-logG0= -0.004720 tlogG= -0.023684 logG= -0.028404 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107022 ETOT(band)= -0.116821 trlgG= -0.146478 logG= -0.028404 TDE= -0.171034 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022850 logG= -0.027602 Density= 0.107343 ETOT(band)= -0.116216 trlgG= -0.145046 logG= -0.027602 TDE= -0.170562 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002565 tlogG= -0.011983 logG= -0.014547 Density= 0.054162 ETOT(band)= -0.058285 trlgG= -0.073543 logG= -0.014547 TDE= -0.085797 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005136 tlogG= -0.023869 logG= -0.029005 Density= 0.108297 ETOT(band)= -0.116530 trlgG= -0.146941 logG= -0.029005 TDE= -0.171527 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002634 tlogG= -0.011986 logG= -0.014620 Density= 0.054007 ETOT(band)= -0.058406 trlgG= -0.073664 logG= -0.014620 TDE= -0.085769 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.023577 logG= -0.028901 Density= 0.107847 ETOT(band)= -0.116685 trlgG= -0.146769 logG= -0.028901 TDE= -0.171236 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009129 tlogG= -0.047628 logG= -0.056757 Density= 0.213017 ETOT(band)= -0.233999 trlgG= -0.292879 logG= -0.056757 TDE= -0.341534 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009832 tlogG= -0.047152 logG= -0.056984 Density= 0.213870 ETOT(band)= -0.233744 trlgG= -0.292599 logG= -0.056984 TDE= -0.341450 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009879 tlogG= -0.045645 logG= -0.055524 Density= 0.215243 ETOT(band)= -0.232342 trlgG= -0.289984 logG= -0.055524 TDE= -0.340973 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001408 tlogG= -0.008044 logG= -0.009452 Density= 0.035328 ETOT(band)= -0.039069 trlgG= -0.048969 logG= -0.009452 TDE= -0.056999 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004331 tlogG= -0.024049 logG= -0.028381 Density= 0.106163 ETOT(band)= -0.117144 trlgG= -0.146780 logG= -0.028381 TDE= -0.170933 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022406 logG= -0.027430 Density= 0.107680 ETOT(band)= -0.115943 trlgG= -0.144435 logG= -0.027430 TDE= -0.170291 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023498 logG= -0.028243 Density= 0.106819 ETOT(band)= -0.116791 trlgG= -0.145944 logG= -0.028243 TDE= -0.170560 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010037 tlogG= -0.043385 logG= -0.053422 Density= 0.216371 ETOT(band)= -0.230435 trlgG= -0.286478 logG= -0.053422 TDE= -0.340127 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.012081 logG= -0.014507 Density= 0.053608 ETOT(band)= -0.058534 trlgG= -0.073623 logG= -0.014507 TDE= -0.085644 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002608 tlogG= -0.012031 logG= -0.014639 Density= 0.053786 ETOT(band)= -0.058523 trlgG= -0.073680 logG= -0.014639 TDE= -0.085657 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001489 tlogG= -0.007810 logG= -0.009300 Density= 0.035507 ETOT(band)= -0.038918 trlgG= -0.048604 logG= -0.009300 TDE= -0.056875 logGD-logG0= -0.004835 tlogG= -0.020987 logG= -0.025821 logGD-logG0= -0.004915 tlogG= -0.021562 logG= -0.026477 Density= 0.108561 ETOT(band)= -0.114860 trlgG= -0.142819 logG= -0.026477 TDE= -0.170064 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108757 ETOT(band)= -0.114273 trlgG= -0.141663 logG= -0.025821 TDE= -0.169660 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002409 tlogG= -0.010425 logG= -0.012833 Density= 0.054401 ETOT(band)= -0.057063 trlgG= -0.070692 logG= -0.012833 TDE= -0.084779 logGD-logG0= -0.005149 tlogG= -0.023947 logG= -0.029096 Density= 0.108277 ETOT(band)= -0.116594 trlgG= -0.147090 logG= -0.029096 TDE= -0.171574 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005162 tlogG= -0.023761 logG= -0.028923 logGD-logG0= -0.005158 tlogG= -0.023428 logG= -0.028585 Density= 0.108226 ETOT(band)= -0.116520 trlgG= -0.146812 logG= -0.028923 TDE= -0.171444 Density= 0.108178 ETOT(band)= -0.116358 trlgG= -0.146276 logG= -0.028585 TDE= -0.171223 logGD-logG0= -0.005116 tlogG= -0.022980 logG= -0.028096 Density= 0.108182 ETOT(band)= -0.116088 trlgG= -0.145502 logG= -0.028096 TDE= -0.170940 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005048 tlogG= -0.022455 logG= -0.027503 logGD-logG0= -0.004358 tlogG= -0.023972 logG= -0.028331 logGD-logG0= -0.004966 tlogG= -0.022167 logG= -0.027133 logGD-logG0= -0.001260 tlogG= -0.005747 logG= -0.007007 Density= 0.080671 ETOT(band)= -0.087383 trlgG= -0.109609 logG= -0.007007 TDE= -0.042745 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108250 ETOT(band)= -0.115716 trlgG= -0.144556 logG= -0.027503 TDE= -0.170620 Density= 0.108405 ETOT(band)= -0.115410 trlgG= -0.143948 logG= -0.027133 TDE= -0.170460 Density= 0.106215 ETOT(band)= -0.117100 trlgG= -0.146666 logG= -0.028331 TDE= -0.170896 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005619 logG= -0.006858 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004555 tlogG= -0.024044 logG= -0.028599 logGD-logG0= -0.004842 tlogG= -0.023686 logG= -0.028527 logGD-logG0= -0.005021 tlogG= -0.021692 logG= -0.026713 Density= 0.107978 ETOT(band)= -0.115323 trlgG= -0.143251 logG= -0.026713 TDE= -0.169970 logGD-logG0= -0.004633 tlogG= -0.023203 logG= -0.027836 Density= 0.106782 ETOT(band)= -0.116601 trlgG= -0.145460 logG= -0.027836 TDE= -0.170465 Density= 0.106434 ETOT(band)= -0.117132 trlgG= -0.146788 logG= -0.028599 TDE= -0.170859 Density= 0.107425 ETOT(band)= -0.116701 trlgG= -0.146387 logG= -0.028527 TDE= -0.171018 Density= 0.080873 ETOT(band)= -0.086955 trlgG= -0.108607 logG= -0.006858 TDE= -0.042669 logGD-logG0= -0.005005 tlogG= -0.024090 logG= -0.029095 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107426 ETOT(band)= -0.117012 trlgG= -0.147128 logG= -0.029095 TDE= -0.171192 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005290 tlogG= -0.024069 logG= -0.029359 logGD-logG0= -0.005300 tlogG= -0.024084 logG= -0.029384 Density= 0.107690 ETOT(band)= -0.117046 trlgG= -0.147505 logG= -0.029359 TDE= -0.171436 Density= 0.107936 ETOT(band)= -0.116954 trlgG= -0.147569 logG= -0.029384 TDE= -0.171596 logGD-logG0= -0.005139 tlogG= -0.023602 logG= -0.028742 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108251 ETOT(band)= -0.116404 trlgG= -0.146521 logG= -0.028742 TDE= -0.171347 logGD-logG0= -0.005109 tlogG= -0.023213 logG= -0.028322 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004720 tlogG= -0.022987 logG= -0.027707 Density= 0.106918 ETOT(band)= -0.116470 trlgG= -0.145197 logG= -0.027707 TDE= -0.170398 logGD-logG0= -0.005333 tlogG= -0.024130 logG= -0.029463 logGD-logG0= -0.005241 tlogG= -0.023965 logG= -0.029205 Density= 0.107491 ETOT(band)= -0.117033 trlgG= -0.147232 logG= -0.029205 TDE= -0.171218 Density= 0.107859 ETOT(band)= -0.117042 trlgG= -0.147694 logG= -0.029463 TDE= -0.171604 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108241 ETOT(band)= -0.116182 trlgG= -0.145858 logG= -0.028322 TDE= -0.171099 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.022847 logG= -0.027723 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107794 ETOT(band)= -0.116072 trlgG= -0.144919 logG= -0.027723 TDE= -0.170538 logGD-logG0= -0.005044 tlogG= -0.022731 logG= -0.027775 Density= 0.108295 ETOT(band)= -0.115852 trlgG= -0.144991 logG= -0.027775 TDE= -0.170806 logGD-logG0= -0.005123 tlogG= -0.022873 logG= -0.027996 logGD-logG0= -0.005323 tlogG= -0.023900 logG= -0.029223 Density= 0.107662 ETOT(band)= -0.116276 trlgG= -0.145331 logG= -0.027996 TDE= -0.170612 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107799 ETOT(band)= -0.116913 trlgG= -0.147290 logG= -0.029223 TDE= -0.171411 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.023891 logG= -0.028805 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.023667 logG= -0.028357 Density= 0.106803 ETOT(band)= -0.117092 trlgG= -0.146899 logG= -0.028805 TDE= -0.170946 Density= 0.106643 ETOT(band)= -0.116938 trlgG= -0.146373 logG= -0.028357 TDE= -0.170789 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005286 tlogG= -0.023867 logG= -0.029154 Density= 0.107963 ETOT(band)= -0.116781 trlgG= -0.147183 logG= -0.029154 TDE= -0.171456 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009806 tlogG= -0.048239 logG= -0.058046 Density= 0.214496 ETOT(band)= -0.234105 trlgG= -0.294382 logG= -0.058046 TDE= -0.342480 logGD-logG0= -0.009495 tlogG= -0.045756 logG= -0.055251 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215111 ETOT(band)= -0.232267 trlgG= -0.289993 logG= -0.055251 TDE= -0.341190 logGD-logG0= -0.009673 tlogG= -0.047155 logG= -0.056828 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213859 ETOT(band)= -0.233700 trlgG= -0.292808 logG= -0.056828 TDE= -0.341808 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024056 logG= -0.029331 logGD-logG0= -0.005084 tlogG= -0.023955 logG= -0.029038 Density= 0.107995 ETOT(band)= -0.116887 trlgG= -0.147480 logG= -0.029331 TDE= -0.171590 logGD-logG0= -0.004922 tlogG= -0.023881 logG= -0.028803 Density= 0.213881 ETOT(band)= -0.233971 trlgG= -0.292999 logG= -0.028803 TDE= -0.170787 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214434 ETOT(band)= -0.234056 trlgG= -0.293906 logG= -0.029038 TDE= -0.171058 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009558 tlogG= -0.047927 logG= -0.057485 logGD-logG0= -0.009952 tlogG= -0.047896 logG= -0.057848 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.048077 logG= -0.058560 Density= 0.215167 ETOT(band)= -0.234082 trlgG= -0.294727 logG= -0.058560 TDE= -0.342641 Density= 0.213365 ETOT(band)= -0.234207 trlgG= -0.293523 logG= -0.057485 TDE= -0.341621 Density= 0.214062 ETOT(band)= -0.234143 trlgG= -0.294071 logG= -0.057848 TDE= -0.342152 logGD-logG0= -0.010528 tlogG= -0.047743 logG= -0.058271 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214852 ETOT(band)= -0.234028 trlgG= -0.294216 logG= -0.058271 TDE= -0.342265 logGD-logG0= -0.009446 tlogG= -0.047443 logG= -0.056889 Density= 0.214405 ETOT(band)= -0.233530 trlgG= -0.292938 logG= -0.056889 TDE= -0.342147 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009774 tlogG= -0.045586 logG= -0.055360 logGD-logG0= -0.004745 tlogG= -0.024004 logG= -0.028750 Density= 0.214215 ETOT(band)= -0.234048 trlgG= -0.294124 logG= -0.028750 TDE= -0.171225 Density= 0.214455 ETOT(band)= -0.232617 trlgG= -0.290170 logG= -0.055360 TDE= -0.340934 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.047656 logG= -0.057848 logGD-logG0= -0.001628 tlogG= -0.006991 logG= -0.008619 Density= 0.036211 ETOT(band)= -0.038121 trlgG= -0.047246 logG= -0.008619 TDE= -0.056547 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214043 ETOT(band)= -0.234130 trlgG= -0.293823 logG= -0.057848 TDE= -0.341894 logGD-logG0= -0.010332 tlogG= -0.047976 logG= -0.058307 logGD-logG0= -0.010076 tlogG= -0.048025 logG= -0.058100 Density= 0.214626 ETOT(band)= -0.234052 trlgG= -0.294131 logG= -0.058100 TDE= -0.342238 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023353 logG= -0.028794 logGD-logG0= -0.010564 tlogG= -0.048011 logG= -0.058576 Density= 0.215203 ETOT(band)= -0.234073 trlgG= -0.294754 logG= -0.058576 TDE= -0.342672 logGD-logG0= -0.001694 tlogG= -0.007304 logG= -0.008998 Density= 0.035859 ETOT(band)= -0.038569 trlgG= -0.047907 logG= -0.008998 TDE= -0.056655 Density= 0.215202 ETOT(band)= -0.233316 trlgG= -0.292708 logG= -0.028794 TDE= -0.170957 Density= 0.215169 ETOT(band)= -0.233937 trlgG= -0.294311 logG= -0.058307 TDE= -0.342479 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010548 tlogG= -0.047936 logG= -0.058484 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.047306 logG= -0.057724 Density= 0.214356 ETOT(band)= -0.233923 trlgG= -0.293299 logG= -0.057724 TDE= -0.341649 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215993 ETOT(band)= -0.233645 trlgG= -0.294660 logG= -0.058484 TDE= -0.343061 logGD-logG0= -0.010622 tlogG= -0.047523 logG= -0.058146 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010392 tlogG= -0.047783 logG= -0.058175 Density= 0.215797 ETOT(band)= -0.233529 trlgG= -0.294099 logG= -0.058146 TDE= -0.342740 Density= 0.214751 ETOT(band)= -0.234022 trlgG= -0.294047 logG= -0.058175 TDE= -0.342142 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010677 tlogG= -0.048142 logG= -0.058819 Density= 0.215520 ETOT(band)= -0.234098 trlgG= -0.295191 logG= -0.058819 TDE= -0.343022 logGD-logG0= -0.010587 tlogG= -0.047418 logG= -0.058005 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215564 ETOT(band)= -0.233569 trlgG= -0.293859 logG= -0.058005 TDE= -0.342525 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010630 tlogG= -0.046876 logG= -0.057505 logGD-logG0= -0.010191 tlogG= -0.046409 logG= -0.056600 Density= 0.215310 ETOT(band)= -0.232903 trlgG= -0.291616 logG= -0.056600 TDE= -0.341563 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215525 ETOT(band)= -0.233293 trlgG= -0.293059 logG= -0.057505 TDE= -0.342206 logGD-logG0= -0.002469 tlogG= -0.010840 logG= -0.013308 logGD-logG0= -0.010602 tlogG= -0.047885 logG= -0.058487 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215865 ETOT(band)= -0.233717 trlgG= -0.294663 logG= -0.058487 TDE= -0.342996 Density= 0.054086 ETOT(band)= -0.057580 trlgG= -0.071538 logG= -0.013308 TDE= -0.084994 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009801 tlogG= -0.047220 logG= -0.057021 Density= 0.214571 ETOT(band)= -0.233491 trlgG= -0.292711 logG= -0.057021 TDE= -0.341870 logGD-logG0= -0.010102 tlogG= -0.047148 logG= -0.057251 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215246 ETOT(band)= -0.233304 trlgG= -0.292633 logG= -0.057251 TDE= -0.341897 logGD-logG0= -0.004658 tlogG= -0.023368 logG= -0.028026 Density= 0.214277 ETOT(band)= -0.233336 trlgG= -0.292332 logG= -0.028026 TDE= -0.170903 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005001 tlogG= -0.021872 logG= -0.026873 Density= 0.108370 ETOT(band)= -0.115226 trlgG= -0.143499 logG= -0.026873 TDE= -0.170253 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004802 tlogG= -0.022325 logG= -0.027126 Density= 0.215121 ETOT(band)= -0.231918 trlgG= -0.289086 logG= -0.027126 TDE= -0.170248 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005080 tlogG= -0.021816 logG= -0.026896 Density= 0.107835 ETOT(band)= -0.115515 trlgG= -0.143560 logG= -0.026896 TDE= -0.170026 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001278 tlogG= -0.005983 logG= -0.007261 Density= 0.081097 ETOT(band)= -0.087536 trlgG= -0.110413 logG= -0.007261 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005420 tlogG= -0.023681 logG= -0.029102 Density= 0.215504 ETOT(band)= -0.233573 trlgG= -0.293847 logG= -0.029102 TDE= -0.171251 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008968 tlogG= -0.048092 logG= -0.057060 Density= 0.425718 ETOT(band)= -0.468267 trlgG= -0.586452 logG= -0.057060 TDE= -0.341768 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005188 tlogG= -0.023954 logG= -0.029142 Density= 0.216486 ETOT(band)= -0.233196 trlgG= -0.294108 logG= -0.029142 TDE= -0.171563 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.021299 logG= -0.026215 Density= 0.162720 ETOT(band)= -0.172960 trlgG= -0.215913 logG= -0.026215 TDE= -0.169876 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009944 tlogG= -0.046396 logG= -0.056340 Density= 0.429717 ETOT(band)= -0.465486 trlgG= -0.581511 logG= -0.056340 TDE= -0.341320 logGD-logG0= -0.009613 tlogG= -0.047766 logG= -0.057379 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427361 ETOT(band)= -0.467843 trlgG= -0.585821 logG= -0.057379 TDE= -0.341488 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004305 tlogG= -0.024129 logG= -0.028435 Density= 0.212263 ETOT(band)= -0.234337 trlgG= -0.293682 logG= -0.028435 TDE= -0.170972 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001189 tlogG= -0.005171 logG= -0.006359 Density= 0.062568 ETOT(band)= -0.067534 trlgG= -0.084207 logG= -0.006359 TDE= -0.042358 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004608 tlogG= -0.023888 logG= -0.028496 Density= 0.213374 ETOT(band)= -0.233824 trlgG= -0.292489 logG= -0.028496 TDE= -0.170778 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009830 tlogG= -0.044621 logG= -0.054451 Density= 0.431794 ETOT(band)= -0.462015 trlgG= -0.574731 logG= -0.054451 TDE= -0.340405 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.022903 logG= -0.027877 Density= 0.214890 ETOT(band)= -0.232365 trlgG= -0.289686 logG= -0.027877 TDE= -0.170426 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005855 logG= -0.007130 Density= 0.080684 ETOT(band)= -0.087598 trlgG= -0.110164 logG= -0.007130 TDE= -0.042810 logGD-logG0= -0.001279 tlogG= -0.005938 logG= -0.007217 Density= 0.080868 ETOT(band)= -0.087633 trlgG= -0.110361 logG= -0.007217 TDE= -0.042865 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.021877 logG= -0.026965 Density= 0.216721 ETOT(band)= -0.230252 trlgG= -0.286482 logG= -0.026965 TDE= -0.170221 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004999 tlogG= -0.021348 logG= -0.026347 Density= 0.217114 ETOT(band)= -0.229145 trlgG= -0.284278 logG= -0.026347 TDE= -0.169889 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005265 tlogG= -0.023797 logG= -0.029061 Density= 0.215430 ETOT(band)= -0.233724 trlgG= -0.294163 logG= -0.029061 TDE= -0.171419 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.007965 logG= -0.009400 Density= 0.070897 ETOT(band)= -0.077937 trlgG= -0.097452 logG= -0.009400 TDE= -0.056960 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023997 logG= -0.029192 Density= 0.216453 ETOT(band)= -0.233300 trlgG= -0.294340 logG= -0.029192 TDE= -0.171590 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.023998 logG= -0.029230 Density= 0.215783 ETOT(band)= -0.233818 trlgG= -0.294817 logG= -0.029230 TDE= -0.171572 logGD-logG0= -0.005258 tlogG= -0.023480 logG= -0.028738 Density= 0.215310 ETOT(band)= -0.233290 trlgG= -0.292901 logG= -0.028738 TDE= -0.171163 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.021203 logG= -0.026161 Density= 0.216439 ETOT(band)= -0.230006 trlgG= -0.285535 logG= -0.026161 TDE= -0.169796 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004778 tlogG= -0.024003 logG= -0.028782 logGD-logG0= -0.005050 tlogG= -0.024160 logG= -0.029210 Density= 0.322584 ETOT(band)= -0.351162 trlgG= -0.442006 logG= -0.029210 TDE= -0.171226 Density= 0.321707 ETOT(band)= -0.351051 trlgG= -0.441330 logG= -0.028782 TDE= -0.171220 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001207 tlogG= -0.005306 logG= -0.006514 Density= 0.081594 ETOT(band)= -0.085674 trlgG= -0.106209 logG= -0.006514 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005081 tlogG= -0.023843 logG= -0.028924 Density= 0.215592 ETOT(band)= -0.233720 trlgG= -0.294267 logG= -0.028924 TDE= -0.171107 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005324 tlogG= -0.024119 logG= -0.029443 Density= 0.215816 ETOT(band)= -0.233973 trlgG= -0.295232 logG= -0.029443 TDE= -0.171604 logGD-logG0= -0.005126 tlogG= -0.022437 logG= -0.027563 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216464 ETOT(band)= -0.231250 trlgG= -0.288599 logG= -0.027563 TDE= -0.170561 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004439 tlogG= -0.023738 logG= -0.028177 Density= 0.213178 ETOT(band)= -0.233550 trlgG= -0.291760 logG= -0.028177 TDE= -0.170774 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010419 tlogG= -0.047781 logG= -0.058200 Density= 0.324496 ETOT(band)= -0.349855 trlgG= -0.441009 logG= -0.058200 TDE= -0.343019 logGD-logG0= -0.004494 tlogG= -0.023584 logG= -0.028079 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.212710 ETOT(band)= -0.233957 trlgG= -0.292735 logG= -0.028079 TDE= -0.170689 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004583 tlogG= -0.023970 logG= -0.028553 Density= 0.212900 ETOT(band)= -0.234234 trlgG= -0.293483 logG= -0.028553 TDE= -0.170826 logGD-logG0= -0.005036 tlogG= -0.023242 logG= -0.028278 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321844 ETOT(band)= -0.350509 trlgG= -0.439605 logG= -0.028278 TDE= -0.170849 logGD-logG0= -0.005024 tlogG= -0.024155 logG= -0.029178 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006873 logG= -0.008458 Density= 0.214836 ETOT(band)= -0.234128 trlgG= -0.294521 logG= -0.029178 TDE= -0.171231 Density= 0.040866 ETOT(band)= -0.042667 trlgG= -0.052797 logG= -0.008458 TDE= -0.056461 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005208 tlogG= -0.023759 logG= -0.028967 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005215 tlogG= -0.023412 logG= -0.028627 Density= 0.216375 ETOT(band)= -0.232998 trlgG= -0.293404 logG= -0.028967 TDE= -0.171422 logGD-logG0= -0.005187 tlogG= -0.022965 logG= -0.028152 Density= 0.216320 ETOT(band)= -0.232047 trlgG= -0.290584 logG= -0.028152 TDE= -0.170896 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216294 ETOT(band)= -0.232620 trlgG= -0.292198 logG= -0.028627 TDE= -0.171183 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.023365 logG= -0.028055 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023895 logG= -0.029268 logGD-logG0= -0.005255 tlogG= -0.024082 logG= -0.029336 Density= 0.321776 ETOT(band)= -0.350004 trlgG= -0.438755 logG= -0.028055 TDE= -0.170895 Density= 0.215742 ETOT(band)= -0.233720 trlgG= -0.294545 logG= -0.029268 TDE= -0.171428 Density= 0.323207 ETOT(band)= -0.351134 trlgG= -0.442656 logG= -0.029336 TDE= -0.171418 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010466 tlogG= -0.047230 logG= -0.057695 Density= 0.324277 ETOT(band)= -0.349489 trlgG= -0.439662 logG= -0.057695 TDE= -0.342627 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010190 tlogG= -0.045626 logG= -0.055815 Density= 0.324186 ETOT(band)= -0.347892 trlgG= -0.434961 logG= -0.055815 TDE= -0.341446 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010463 tlogG= -0.046409 logG= -0.056873 Density= 0.324140 ETOT(band)= -0.348834 trlgG= -0.437578 logG= -0.056873 TDE= -0.342070 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010703 tlogG= -0.048035 logG= -0.058738 Density= 0.323392 ETOT(band)= -0.350926 trlgG= -0.442353 logG= -0.058738 TDE= -0.343012 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023955 logG= -0.029312 Density= 0.323806 ETOT(band)= -0.350599 trlgG= -0.442097 logG= -0.029312 TDE= -0.171476 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009696 tlogG= -0.046600 logG= -0.056296 Density= 0.322846 ETOT(band)= -0.348959 trlgG= -0.436396 logG= -0.056296 TDE= -0.341599 logGD-logG0= -0.004840 tlogG= -0.023834 logG= -0.028674 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213666 ETOT(band)= -0.234110 trlgG= -0.293736 logG= -0.028674 TDE= -0.171043 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001574 tlogG= -0.007588 logG= -0.009162 Density= 0.071528 ETOT(band)= -0.077336 trlgG= -0.096154 logG= -0.009162 TDE= -0.056736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023193 logG= -0.028368 logGD-logG0= -0.004789 tlogG= -0.023242 logG= -0.028031 Density= 0.213591 ETOT(band)= -0.233578 trlgG= -0.292220 logG= -0.028031 TDE= -0.170739 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214962 ETOT(band)= -0.232918 trlgG= -0.291215 logG= -0.028368 TDE= -0.170613 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010288 tlogG= -0.048217 logG= -0.058505 Density= 0.430228 ETOT(band)= -0.468194 trlgG= -0.589370 logG= -0.058505 TDE= -0.342516 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047835 logG= -0.057487 Density= 0.428224 ETOT(band)= -0.468080 trlgG= -0.587834 logG= -0.057487 TDE= -0.342255 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010265 tlogG= -0.047664 logG= -0.057929 Density= 0.428479 ETOT(band)= -0.468062 trlgG= -0.587165 logG= -0.057929 TDE= -0.341896 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010324 tlogG= -0.047952 logG= -0.058276 logGD-logG0= -0.010155 tlogG= -0.048144 logG= -0.058299 Density= 0.429491 ETOT(band)= -0.468190 trlgG= -0.588603 logG= -0.058299 TDE= -0.342301 Density= 0.429394 ETOT(band)= -0.468152 trlgG= -0.588248 logG= -0.058276 TDE= -0.342141 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009515 tlogG= -0.046603 logG= -0.056118 Density= 0.428283 ETOT(band)= -0.466778 trlgG= -0.584442 logG= -0.056118 TDE= -0.341624 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009659 tlogG= -0.047647 logG= -0.057306 Density= 0.426857 ETOT(band)= -0.468293 trlgG= -0.586968 logG= -0.057306 TDE= -0.341786 logGD-logG0= -0.010667 tlogG= -0.047725 logG= -0.058392 logGD-logG0= -0.009828 tlogG= -0.047849 logG= -0.057677 Density= 0.429325 ETOT(band)= -0.467855 trlgG= -0.587806 logG= -0.057677 TDE= -0.342242 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009459 tlogG= -0.046709 logG= -0.056169 Density= 0.428077 ETOT(band)= -0.466058 trlgG= -0.581837 logG= -0.056169 TDE= -0.341208 logGD-logG0= -0.010771 tlogG= -0.047687 logG= -0.058458 Density= 0.430943 ETOT(band)= -0.467447 trlgG= -0.588328 logG= -0.058392 TDE= -0.342658 logGD-logG0= -0.001696 tlogG= -0.007116 logG= -0.008812 Density= 0.072261 ETOT(band)= -0.076469 trlgG= -0.094841 logG= -0.008812 TDE= -0.056621 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.431285 ETOT(band)= -0.467390 trlgG= -0.588687 logG= -0.058458 TDE= -0.342765 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010499 tlogG= -0.048067 logG= -0.058565 Density= 0.430335 ETOT(band)= -0.468024 trlgG= -0.589042 logG= -0.058565 TDE= -0.342641 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022290 logG= -0.027245 Density= 0.214353 ETOT(band)= -0.232406 trlgG= -0.289439 logG= -0.027245 TDE= -0.170162 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004923 tlogG= -0.022471 logG= -0.027394 logGD-logG0= -0.010009 tlogG= -0.047555 logG= -0.057563 Density= 0.215115 ETOT(band)= -0.231629 trlgG= -0.288042 logG= -0.027394 TDE= -0.170175 Density= 0.428795 ETOT(band)= -0.467408 trlgG= -0.586206 logG= -0.057563 TDE= -0.341940 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010695 tlogG= -0.048013 logG= -0.058708 Density= 0.431526 ETOT(band)= -0.467673 trlgG= -0.589680 logG= -0.058708 TDE= -0.343029 logGD-logG0= -0.010252 tlogG= -0.047566 logG= -0.057817 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430199 ETOT(band)= -0.467046 trlgG= -0.586135 logG= -0.057817 TDE= -0.342054 logGD-logG0= -0.010328 tlogG= -0.046926 logG= -0.057254 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430068 ETOT(band)= -0.466400 trlgG= -0.584207 logG= -0.057254 TDE= -0.341609 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010726 tlogG= -0.047264 logG= -0.057990 Density= 0.430671 ETOT(band)= -0.467024 trlgG= -0.586857 logG= -0.057990 TDE= -0.342274 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004842 tlogG= -0.022325 logG= -0.027167 Density= 0.323013 ETOT(band)= -0.347929 trlgG= -0.434007 logG= -0.027167 TDE= -0.170243 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005467 logG= -0.006694 Density= 0.081235 ETOT(band)= -0.086342 trlgG= -0.107369 logG= -0.006694 TDE= -0.042571 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009982 tlogG= -0.044618 logG= -0.054600 Density= 0.324428 ETOT(band)= -0.346623 trlgG= -0.431951 logG= -0.054600 TDE= -0.340768 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Sum of eigenvalues= -324.768282217640 eV TrLogG= -407.327257354919 eV Ratio to renormalize= 0.999591120939 rho-rho_expected= 0.008999018849 nargs= 1 argi=dmft2.def 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 3) Finished k-point number 7 1 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 10) Finished k-point number 22 2 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 4) Finished k-point number 9 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 33) Finished k-point number 68 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964635834820353 0.940375478153670 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001489 tlogG= -0.007811 logG= -0.009300 Density= 0.035507 ETOT(band)= -0.038919 trlgG= -0.048605 logG= -0.009300 TDE= -0.056876 logGD-logG0= -0.001408 tlogG= -0.008044 logG= -0.009452 Density= 0.035328 ETOT(band)= -0.039070 trlgG= -0.048970 logG= -0.009452 TDE= -0.057000 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004331 tlogG= -0.024050 logG= -0.028381 Density= 0.106163 ETOT(band)= -0.117146 trlgG= -0.146782 logG= -0.028381 TDE= -0.170936 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.022407 logG= -0.027431 Density= 0.107681 ETOT(band)= -0.115945 trlgG= -0.144438 logG= -0.027431 TDE= -0.170293 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002564 tlogG= -0.011983 logG= -0.014548 Density= 0.054162 ETOT(band)= -0.058286 trlgG= -0.073544 logG= -0.014548 TDE= -0.085799 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002633 tlogG= -0.011987 logG= -0.014620 Density= 0.054007 ETOT(band)= -0.058407 trlgG= -0.073665 logG= -0.014620 TDE= -0.085770 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005240 tlogG= -0.023966 logG= -0.029206 Density= 0.107492 ETOT(band)= -0.117034 trlgG= -0.147234 logG= -0.029206 TDE= -0.171221 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001694 tlogG= -0.007304 logG= -0.008998 Density= 0.035859 ETOT(band)= -0.038570 trlgG= -0.047908 logG= -0.008998 TDE= -0.056655 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001628 tlogG= -0.006991 logG= -0.008619 Density= 0.036212 ETOT(band)= -0.038121 trlgG= -0.047247 logG= -0.008619 TDE= -0.056548 logGD-logG0= -0.005286 tlogG= -0.023868 logG= -0.029154 Density= 0.107964 ETOT(band)= -0.116783 trlgG= -0.147186 logG= -0.029154 TDE= -0.171458 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009773 tlogG= -0.045588 logG= -0.055361 logGD-logG0= -0.009129 tlogG= -0.047629 logG= -0.056758 Density= 0.213018 ETOT(band)= -0.234003 trlgG= -0.292885 logG= -0.056758 TDE= -0.341539 Density= 0.214456 ETOT(band)= -0.232621 trlgG= -0.290176 logG= -0.055361 TDE= -0.340939 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000853 logG= -0.001049 logGD-logG0= -0.002331 tlogG= -0.011883 logG= -0.014213 Density= 0.053585 ETOT(band)= -0.058391 trlgG= -0.073262 logG= -0.014213 TDE= -0.085565 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 logGD-logG0= -0.005080 tlogG= -0.021817 logG= -0.026897 Density= 0.107835 ETOT(band)= -0.115517 trlgG= -0.143563 logG= -0.026897 TDE= -0.170029 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002608 tlogG= -0.012031 logG= -0.014639 Density= 0.053787 ETOT(band)= -0.058524 trlgG= -0.073681 logG= -0.014639 TDE= -0.085658 logGD-logG0= -0.002338 tlogG= -0.011447 logG= -0.013785 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053760 ETOT(band)= -0.058061 trlgG= -0.072498 logG= -0.013785 TDE= -0.085316 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002426 tlogG= -0.012081 logG= -0.014507 logGD-logG0= -0.005001 tlogG= -0.021873 logG= -0.026874 Density= 0.053608 ETOT(band)= -0.058535 trlgG= -0.073624 logG= -0.014507 TDE= -0.085645 Density= 0.108371 ETOT(band)= -0.115228 trlgG= -0.143501 logG= -0.026874 TDE= -0.170255 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005021 tlogG= -0.021693 logG= -0.026714 Density= 0.107978 ETOT(band)= -0.115325 trlgG= -0.143254 logG= -0.026714 TDE= -0.169973 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005162 tlogG= -0.023762 logG= -0.028924 Density= 0.108226 ETOT(band)= -0.116521 trlgG= -0.146814 logG= -0.028924 TDE= -0.171447 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005116 tlogG= -0.022981 logG= -0.028097 Density= 0.108183 ETOT(band)= -0.116090 trlgG= -0.145505 logG= -0.028097 TDE= -0.170943 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005149 tlogG= -0.023948 logG= -0.029097 logGD-logG0= -0.005290 tlogG= -0.024070 logG= -0.029360 Density= 0.107691 ETOT(band)= -0.117048 trlgG= -0.147508 logG= -0.029360 TDE= -0.171439 logGD-logG0= -0.005157 tlogG= -0.023429 logG= -0.028586 Density= 0.108179 ETOT(band)= -0.116360 trlgG= -0.146279 logG= -0.028586 TDE= -0.171226 logGD-logG0= -0.004966 tlogG= -0.022168 logG= -0.027133 Density= 0.108406 ETOT(band)= -0.115412 trlgG= -0.143951 logG= -0.027133 TDE= -0.170462 Density= 0.108277 ETOT(band)= -0.116596 trlgG= -0.147093 logG= -0.029097 TDE= -0.171577 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004358 tlogG= -0.023973 logG= -0.028331 Density= 0.106215 ETOT(band)= -0.117102 trlgG= -0.146669 logG= -0.028331 TDE= -0.170898 logGD-logG0= -0.004555 tlogG= -0.024045 logG= -0.028599 Density= 0.106434 ETOT(band)= -0.117134 trlgG= -0.146791 logG= -0.028599 TDE= -0.170861 logGD-logG0= -0.005048 tlogG= -0.022455 logG= -0.027504 logGD-logG0= -0.004841 tlogG= -0.023687 logG= -0.028528 Density= 0.108250 ETOT(band)= -0.115718 trlgG= -0.144558 logG= -0.027504 TDE= -0.170622 logGD-logG0= -0.004633 tlogG= -0.023204 logG= -0.027837 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106782 ETOT(band)= -0.116603 trlgG= -0.145463 logG= -0.027837 TDE= -0.170467 Density= 0.107426 ETOT(band)= -0.116703 trlgG= -0.146389 logG= -0.028528 TDE= -0.171021 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005298 tlogG= -0.023682 logG= -0.028980 Density= 0.107279 ETOT(band)= -0.116982 trlgG= -0.146839 logG= -0.028980 TDE= -0.170946 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005139 tlogG= -0.023604 logG= -0.028742 Density= 0.108252 ETOT(band)= -0.116406 trlgG= -0.146523 logG= -0.028742 TDE= -0.171350 logGD-logG0= -0.005005 tlogG= -0.024091 logG= -0.029096 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107427 ETOT(band)= -0.117013 trlgG= -0.147130 logG= -0.029096 TDE= -0.171195 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004875 tlogG= -0.022848 logG= -0.027723 Density= 0.107794 ETOT(band)= -0.116074 trlgG= -0.144922 logG= -0.027723 TDE= -0.170541 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005300 tlogG= -0.024085 logG= -0.029385 logGD-logG0= -0.005333 tlogG= -0.024131 logG= -0.029464 Density= 0.107859 ETOT(band)= -0.117044 trlgG= -0.147697 logG= -0.029464 TDE= -0.171607 logGD-logG0= -0.005136 tlogG= -0.023870 logG= -0.029006 Density= 0.107936 ETOT(band)= -0.116956 trlgG= -0.147571 logG= -0.029385 TDE= -0.171599 Density= 0.108298 ETOT(band)= -0.116532 trlgG= -0.146944 logG= -0.029006 TDE= -0.171529 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.023667 logG= -0.028357 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.023892 logG= -0.028806 Density= 0.106803 ETOT(band)= -0.117094 trlgG= -0.146902 logG= -0.028806 TDE= -0.170948 logGD-logG0= -0.005122 tlogG= -0.022874 logG= -0.027996 Density= 0.107663 ETOT(band)= -0.116278 trlgG= -0.145334 logG= -0.027996 TDE= -0.170614 Density= 0.106644 ETOT(band)= -0.116940 trlgG= -0.146376 logG= -0.028357 TDE= -0.170791 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.023642 logG= -0.028650 Density= 0.107025 ETOT(band)= -0.116911 trlgG= -0.146290 logG= -0.028650 TDE= -0.170600 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005108 tlogG= -0.023214 logG= -0.028322 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004719 tlogG= -0.022988 logG= -0.027708 Density= 0.106918 ETOT(band)= -0.116472 trlgG= -0.145200 logG= -0.027708 TDE= -0.170401 Density= 0.108242 ETOT(band)= -0.116183 trlgG= -0.145861 logG= -0.028322 TDE= -0.171102 logGD-logG0= -0.004719 tlogG= -0.023685 logG= -0.028405 Density= 0.107022 ETOT(band)= -0.116823 trlgG= -0.146480 logG= -0.028405 TDE= -0.171036 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.023499 logG= -0.028244 Density= 0.106819 ETOT(band)= -0.116793 trlgG= -0.145947 logG= -0.028244 TDE= -0.170563 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.022851 logG= -0.027603 Density= 0.107344 ETOT(band)= -0.116218 trlgG= -0.145048 logG= -0.027603 TDE= -0.170565 logGD-logG0= -0.004892 tlogG= -0.024068 logG= -0.028959 logGD-logG0= -0.005043 tlogG= -0.022732 logG= -0.027776 Density= 0.108296 ETOT(band)= -0.115854 trlgG= -0.144994 logG= -0.027776 TDE= -0.170809 logGD-logG0= -0.005313 tlogG= -0.023195 logG= -0.028508 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107730 ETOT(band)= -0.116526 trlgG= -0.146143 logG= -0.028508 TDE= -0.170945 Density= 0.107103 ETOT(band)= -0.117075 trlgG= -0.147157 logG= -0.028959 TDE= -0.171197 logGD-logG0= -0.005323 tlogG= -0.023901 logG= -0.029223 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107800 ETOT(band)= -0.116914 trlgG= -0.147293 logG= -0.029223 TDE= -0.171414 logGD-logG0= -0.010036 tlogG= -0.043387 logG= -0.053423 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216372 ETOT(band)= -0.230438 trlgG= -0.286483 logG= -0.053423 TDE= -0.340131 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005323 tlogG= -0.023578 logG= -0.028901 logGD-logG0= -0.009806 tlogG= -0.048241 logG= -0.058047 Density= 0.214497 ETOT(band)= -0.234109 trlgG= -0.294388 logG= -0.058047 TDE= -0.342484 Density= 0.107848 ETOT(band)= -0.116687 trlgG= -0.146772 logG= -0.028901 TDE= -0.171239 logGD-logG0= -0.009494 tlogG= -0.045758 logG= -0.055252 Density= 0.215112 ETOT(band)= -0.232270 trlgG= -0.289998 logG= -0.055252 TDE= -0.341194 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009672 tlogG= -0.047157 logG= -0.056829 Density= 0.213860 ETOT(band)= -0.233704 trlgG= -0.292813 logG= -0.056829 TDE= -0.341813 logGD-logG0= -0.009952 tlogG= -0.047898 logG= -0.057849 Density= 0.214064 ETOT(band)= -0.234147 trlgG= -0.294076 logG= -0.057849 TDE= -0.342156 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005275 tlogG= -0.024057 logG= -0.029331 logGD-logG0= -0.009558 tlogG= -0.047929 logG= -0.057487 Density= 0.213366 ETOT(band)= -0.234211 trlgG= -0.293529 logG= -0.057487 TDE= -0.341626 Density= 0.107995 ETOT(band)= -0.116889 trlgG= -0.147483 logG= -0.029331 TDE= -0.171593 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010528 tlogG= -0.047745 logG= -0.058272 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002408 tlogG= -0.010425 logG= -0.012834 Density= 0.054402 ETOT(band)= -0.057064 trlgG= -0.070693 logG= -0.012834 TDE= -0.084780 logGD-logG0= -0.009445 tlogG= -0.047445 logG= -0.056890 Density= 0.214853 ETOT(band)= -0.234032 trlgG= -0.294222 logG= -0.058272 TDE= -0.342270 Density= 0.214406 ETOT(band)= -0.233534 trlgG= -0.292943 logG= -0.056890 TDE= -0.342152 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009832 tlogG= -0.047153 logG= -0.056985 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213871 ETOT(band)= -0.233747 trlgG= -0.292605 logG= -0.056985 TDE= -0.341454 logGD-logG0= -0.010483 tlogG= -0.048079 logG= -0.058562 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215168 ETOT(band)= -0.234086 trlgG= -0.294732 logG= -0.058562 TDE= -0.342646 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009878 tlogG= -0.045647 logG= -0.055525 Density= 0.215244 ETOT(band)= -0.232346 trlgG= -0.289990 logG= -0.055525 TDE= -0.340978 logGD-logG0= -0.010331 tlogG= -0.047978 logG= -0.058309 logGD-logG0= -0.010075 tlogG= -0.048027 logG= -0.058102 Density= 0.214627 ETOT(band)= -0.234055 trlgG= -0.294137 logG= -0.058102 TDE= -0.342243 Density= 0.215170 ETOT(band)= -0.233941 trlgG= -0.294316 logG= -0.058309 TDE= -0.342484 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010392 tlogG= -0.047785 logG= -0.058177 Density= 0.214752 ETOT(band)= -0.234026 trlgG= -0.294053 logG= -0.058177 TDE= -0.342147 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010191 tlogG= -0.047658 logG= -0.057850 Density= 0.214044 ETOT(band)= -0.234134 trlgG= -0.293829 logG= -0.057850 TDE= -0.341899 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010547 tlogG= -0.047938 logG= -0.058485 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215995 ETOT(band)= -0.233649 trlgG= -0.294666 logG= -0.058485 TDE= -0.343066 logGD-logG0= -0.010677 tlogG= -0.048144 logG= -0.058821 logGD-logG0= -0.010564 tlogG= -0.048013 logG= -0.058577 Density= 0.215521 ETOT(band)= -0.234102 trlgG= -0.295196 logG= -0.058821 TDE= -0.343027 Density= 0.215205 ETOT(band)= -0.234077 trlgG= -0.294760 logG= -0.058577 TDE= -0.342677 logGD-logG0= -0.010622 tlogG= -0.047526 logG= -0.058147 logGD-logG0= -0.010418 tlogG= -0.047307 logG= -0.057726 Density= 0.214357 ETOT(band)= -0.233927 trlgG= -0.293305 logG= -0.057726 TDE= -0.341654 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215798 ETOT(band)= -0.233532 trlgG= -0.294104 logG= -0.058147 TDE= -0.342745 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010191 tlogG= -0.046410 logG= -0.056601 Density= 0.215311 ETOT(band)= -0.232907 trlgG= -0.291622 logG= -0.056601 TDE= -0.341568 logGD-logG0= -0.010587 tlogG= -0.047420 logG= -0.058006 Density= 0.215565 ETOT(band)= -0.233573 trlgG= -0.293864 logG= -0.058006 TDE= -0.342530 logGD-logG0= -0.010629 tlogG= -0.046877 logG= -0.057506 Density= 0.215526 ETOT(band)= -0.233297 trlgG= -0.293064 logG= -0.057506 TDE= -0.342211 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009800 tlogG= -0.047222 logG= -0.057022 Density= 0.214572 ETOT(band)= -0.233495 trlgG= -0.292717 logG= -0.057022 TDE= -0.341875 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010602 tlogG= -0.047887 logG= -0.058489 Density= 0.215866 ETOT(band)= -0.233721 trlgG= -0.294668 logG= -0.058489 TDE= -0.343001 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010102 tlogG= -0.047150 logG= -0.057252 Density= 0.215247 ETOT(band)= -0.233308 trlgG= -0.292639 logG= -0.057252 TDE= -0.341901 logGD-logG0= -0.002468 tlogG= -0.010840 logG= -0.013309 Density= 0.054087 ETOT(band)= -0.057581 trlgG= -0.071539 logG= -0.013309 TDE= -0.084995 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004915 tlogG= -0.021563 logG= -0.026477 Density= 0.108561 ETOT(band)= -0.114862 trlgG= -0.142822 logG= -0.026477 TDE= -0.170066 logGD-logG0= -0.004834 tlogG= -0.020987 logG= -0.025822 Density= 0.108757 ETOT(band)= -0.114274 trlgG= -0.141665 logG= -0.025822 TDE= -0.169662 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004305 tlogG= -0.024130 logG= -0.028435 Density= 0.212264 ETOT(band)= -0.234341 trlgG= -0.293688 logG= -0.028435 TDE= -0.170975 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001189 tlogG= -0.005171 logG= -0.006360 Density= 0.062568 ETOT(band)= -0.067536 trlgG= -0.084209 logG= -0.006360 TDE= -0.042359 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001278 tlogG= -0.005983 logG= -0.007261 Density= 0.081098 ETOT(band)= -0.087537 trlgG= -0.110415 logG= -0.007261 TDE= -0.042895 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004973 tlogG= -0.022904 logG= -0.027878 Density= 0.214891 ETOT(band)= -0.232368 trlgG= -0.289691 logG= -0.027878 TDE= -0.170429 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001574 tlogG= -0.007588 logG= -0.009162 Density= 0.071528 ETOT(band)= -0.077337 trlgG= -0.096156 logG= -0.009162 TDE= -0.056736 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.007965 logG= -0.009400 Density= 0.070897 ETOT(band)= -0.077939 trlgG= -0.097454 logG= -0.009400 TDE= -0.056961 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005024 tlogG= -0.024155 logG= -0.029179 Density= 0.214838 ETOT(band)= -0.234132 trlgG= -0.294527 logG= -0.029179 TDE= -0.171233 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005372 tlogG= -0.023896 logG= -0.029268 Density= 0.215744 ETOT(band)= -0.233724 trlgG= -0.294550 logG= -0.029268 TDE= -0.171431 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.008968 tlogG= -0.048093 logG= -0.057061 Density= 0.425719 ETOT(band)= -0.468275 trlgG= -0.586464 logG= -0.057061 TDE= -0.341773 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009459 tlogG= -0.046711 logG= -0.056170 Density= 0.428079 ETOT(band)= -0.466066 trlgG= -0.581848 logG= -0.056170 TDE= -0.341213 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.022472 logG= -0.027395 Density= 0.215116 ETOT(band)= -0.231633 trlgG= -0.288047 logG= -0.027395 TDE= -0.170177 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004916 tlogG= -0.021300 logG= -0.026215 Density= 0.162721 ETOT(band)= -0.172962 trlgG= -0.215917 logG= -0.026215 TDE= -0.169878 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001696 tlogG= -0.007116 logG= -0.008812 Density= 0.072261 ETOT(band)= -0.076470 trlgG= -0.094842 logG= -0.008812 TDE= -0.056622 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009982 tlogG= -0.044620 logG= -0.054601 Density= 0.324429 ETOT(band)= -0.346629 trlgG= -0.431959 logG= -0.054601 TDE= -0.340773 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004957 tlogG= -0.021204 logG= -0.026161 Density= 0.216440 ETOT(band)= -0.230009 trlgG= -0.285540 logG= -0.026161 TDE= -0.169798 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001260 tlogG= -0.005747 logG= -0.007007 logGD-logG0= -0.001279 tlogG= -0.005939 logG= -0.007218 Density= 0.080672 ETOT(band)= -0.087385 trlgG= -0.109611 logG= -0.007007 TDE= -0.042746 Density= 0.080868 ETOT(band)= -0.087634 trlgG= -0.110363 logG= -0.007218 TDE= -0.042865 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001275 tlogG= -0.005855 logG= -0.007130 Density= 0.080684 ETOT(band)= -0.087599 trlgG= -0.110166 logG= -0.007130 TDE= -0.042811 logGD-logG0= -0.001239 tlogG= -0.005619 logG= -0.006858 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080873 ETOT(band)= -0.086956 trlgG= -0.108609 logG= -0.006858 TDE= -0.042669 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005231 tlogG= -0.023999 logG= -0.029230 Density= 0.215784 ETOT(band)= -0.233821 trlgG= -0.294822 logG= -0.029230 TDE= -0.171575 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005264 tlogG= -0.023798 logG= -0.029062 Density= 0.215431 ETOT(band)= -0.233728 trlgG= -0.294168 logG= -0.029062 TDE= -0.171422 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005258 tlogG= -0.023481 logG= -0.028739 Density= 0.215311 ETOT(band)= -0.233294 trlgG= -0.292906 logG= -0.028739 TDE= -0.171165 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004439 tlogG= -0.023739 logG= -0.028177 Density= 0.213179 ETOT(band)= -0.233554 trlgG= -0.291766 logG= -0.028177 TDE= -0.170777 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004494 tlogG= -0.023585 logG= -0.028079 Density= 0.212711 ETOT(band)= -0.233961 trlgG= -0.292741 logG= -0.028079 TDE= -0.170692 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004608 tlogG= -0.023889 logG= -0.028497 logGD-logG0= -0.001585 tlogG= -0.006873 logG= -0.008458 Density= 0.040866 ETOT(band)= -0.042668 trlgG= -0.052798 logG= -0.008458 TDE= -0.056462 Density= 0.213374 ETOT(band)= -0.233828 trlgG= -0.292495 logG= -0.028497 TDE= -0.170780 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005194 tlogG= -0.023998 logG= -0.029192 Density= 0.216454 ETOT(band)= -0.233303 trlgG= -0.294346 logG= -0.029192 TDE= -0.171592 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004778 tlogG= -0.024004 logG= -0.028782 Density= 0.321709 ETOT(band)= -0.351057 trlgG= -0.441339 logG= -0.028782 TDE= -0.171222 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001207 tlogG= -0.005307 logG= -0.006514 Density= 0.081594 ETOT(band)= -0.085676 trlgG= -0.106211 logG= -0.006514 TDE= -0.042460 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005125 tlogG= -0.022438 logG= -0.027563 logGD-logG0= -0.005083 tlogG= -0.023955 logG= -0.029039 Density= 0.214436 ETOT(band)= -0.234060 trlgG= -0.293912 logG= -0.029039 TDE= -0.171060 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216465 ETOT(band)= -0.231254 trlgG= -0.288605 logG= -0.027563 TDE= -0.170564 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004690 tlogG= -0.023366 logG= -0.028056 Density= 0.321778 ETOT(band)= -0.350010 trlgG= -0.438763 logG= -0.028056 TDE= -0.170897 logGD-logG0= -0.005081 tlogG= -0.023844 logG= -0.028924 logGD-logG0= -0.010418 tlogG= -0.047783 logG= -0.058201 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215593 ETOT(band)= -0.233723 trlgG= -0.294272 logG= -0.028924 TDE= -0.171110 Density= 0.324498 ETOT(band)= -0.349861 trlgG= -0.441017 logG= -0.058201 TDE= -0.343024 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005049 tlogG= -0.024161 logG= -0.029210 logGD-logG0= -0.005324 tlogG= -0.024120 logG= -0.029444 logGD-logG0= -0.005207 tlogG= -0.023760 logG= -0.028968 Density= 0.322586 ETOT(band)= -0.351168 trlgG= -0.442015 logG= -0.029210 TDE= -0.171228 Density= 0.215817 ETOT(band)= -0.233977 trlgG= -0.295238 logG= -0.029444 TDE= -0.171607 Density= 0.216376 ETOT(band)= -0.233002 trlgG= -0.293410 logG= -0.028968 TDE= -0.171424 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005187 tlogG= -0.023955 logG= -0.029142 Density= 0.216488 ETOT(band)= -0.233200 trlgG= -0.294113 logG= -0.029142 TDE= -0.171565 logGD-logG0= -0.004583 tlogG= -0.023971 logG= -0.028554 Density= 0.212901 ETOT(band)= -0.234238 trlgG= -0.293488 logG= -0.028554 TDE= -0.170828 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005036 tlogG= -0.023243 logG= -0.028279 logGD-logG0= -0.009695 tlogG= -0.046602 logG= -0.056298 Density= 0.322848 ETOT(band)= -0.348965 trlgG= -0.436404 logG= -0.056298 TDE= -0.341604 logGD-logG0= -0.005254 tlogG= -0.024083 logG= -0.029337 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323208 ETOT(band)= -0.351140 trlgG= -0.442665 logG= -0.029337 TDE= -0.171420 Density= 0.321845 ETOT(band)= -0.350515 trlgG= -0.439614 logG= -0.028279 TDE= -0.170852 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004955 tlogG= -0.022291 logG= -0.027245 logGD-logG0= -0.010465 tlogG= -0.047232 logG= -0.057697 Density= 0.214354 ETOT(band)= -0.232410 trlgG= -0.289445 logG= -0.027245 TDE= -0.170164 Density= 0.324279 ETOT(band)= -0.349494 trlgG= -0.439670 logG= -0.057697 TDE= -0.342632 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005214 tlogG= -0.023413 logG= -0.028628 Density= 0.216295 ETOT(band)= -0.232623 trlgG= -0.292203 logG= -0.028628 TDE= -0.171185 logGD-logG0= -0.004922 tlogG= -0.023881 logG= -0.028803 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009830 tlogG= -0.044622 logG= -0.054452 Density= 0.431796 ETOT(band)= -0.462022 trlgG= -0.574742 logG= -0.054452 TDE= -0.340410 Density= 0.213882 ETOT(band)= -0.233975 trlgG= -0.293005 logG= -0.028803 TDE= -0.170790 logGD-logG0= -0.010190 tlogG= -0.045627 logG= -0.055817 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.324188 ETOT(band)= -0.347897 trlgG= -0.434969 logG= -0.055817 TDE= -0.341451 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004840 tlogG= -0.023835 logG= -0.028675 Density= 0.213667 ETOT(band)= -0.234114 trlgG= -0.293741 logG= -0.028675 TDE= -0.171046 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010463 tlogG= -0.046411 logG= -0.056874 Density= 0.324142 ETOT(band)= -0.348839 trlgG= -0.437587 logG= -0.056874 TDE= -0.342075 logGD-logG0= -0.004789 tlogG= -0.023243 logG= -0.028032 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213592 ETOT(band)= -0.233582 trlgG= -0.292225 logG= -0.028032 TDE= -0.170741 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004745 tlogG= -0.024005 logG= -0.028751 Density= 0.214216 ETOT(band)= -0.234052 trlgG= -0.294130 logG= -0.028751 TDE= -0.171227 logGD-logG0= -0.010702 tlogG= -0.048037 logG= -0.058739 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323394 ETOT(band)= -0.350932 trlgG= -0.442362 logG= -0.058739 TDE= -0.343017 logGD-logG0= -0.004658 tlogG= -0.023369 logG= -0.028027 Density= 0.214278 ETOT(band)= -0.233340 trlgG= -0.292338 logG= -0.028027 TDE= -0.170905 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005357 tlogG= -0.023956 logG= -0.029312 logGD-logG0= -0.005420 tlogG= -0.023682 logG= -0.029102 Density= 0.215505 ETOT(band)= -0.233576 trlgG= -0.293853 logG= -0.029102 TDE= -0.171253 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323809 ETOT(band)= -0.350605 trlgG= -0.442106 logG= -0.029312 TDE= -0.171479 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005175 tlogG= -0.023194 logG= -0.028369 Density= 0.214963 ETOT(band)= -0.232921 trlgG= -0.291221 logG= -0.028369 TDE= -0.170615 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005441 tlogG= -0.023353 logG= -0.028794 Density= 0.215203 ETOT(band)= -0.233320 trlgG= -0.292714 logG= -0.028794 TDE= -0.170960 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009652 tlogG= -0.047837 logG= -0.057488 Density= 0.428227 ETOT(band)= -0.468088 trlgG= -0.587846 logG= -0.057488 TDE= -0.342260 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009828 tlogG= -0.047851 logG= -0.057678 Density= 0.429327 ETOT(band)= -0.467863 trlgG= -0.587818 logG= -0.057678 TDE= -0.342247 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.021878 logG= -0.026965 Density= 0.216722 ETOT(band)= -0.230256 trlgG= -0.286487 logG= -0.026965 TDE= -0.170224 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004998 tlogG= -0.021349 logG= -0.026348 Density= 0.217116 ETOT(band)= -0.229149 trlgG= -0.284283 logG= -0.026348 TDE= -0.169892 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010155 tlogG= -0.048146 logG= -0.058300 Density= 0.429493 ETOT(band)= -0.468198 trlgG= -0.588614 logG= -0.058300 TDE= -0.342306 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009515 tlogG= -0.046604 logG= -0.056119 Density= 0.428285 ETOT(band)= -0.466786 trlgG= -0.584454 logG= -0.056119 TDE= -0.341629 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010008 tlogG= -0.047556 logG= -0.057564 Density= 0.428797 ETOT(band)= -0.467416 trlgG= -0.586217 logG= -0.057564 TDE= -0.341945 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009659 tlogG= -0.047648 logG= -0.057308 logGD-logG0= -0.010265 tlogG= -0.047666 logG= -0.057931 Density= 0.426859 ETOT(band)= -0.468301 trlgG= -0.586980 logG= -0.057308 TDE= -0.341791 logGD-logG0= -0.010323 tlogG= -0.047954 logG= -0.058277 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428481 ETOT(band)= -0.468070 trlgG= -0.587177 logG= -0.057931 TDE= -0.341901 Density= 0.429396 ETOT(band)= -0.468159 trlgG= -0.588260 logG= -0.058277 TDE= -0.342146 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010498 tlogG= -0.048068 logG= -0.058566 Density= 0.430337 ETOT(band)= -0.468032 trlgG= -0.589054 logG= -0.058566 TDE= -0.342646 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010770 tlogG= -0.047690 logG= -0.058459 logGD-logG0= -0.010288 tlogG= -0.048219 logG= -0.058507 Density= 0.431287 ETOT(band)= -0.467398 trlgG= -0.588698 logG= -0.058459 TDE= -0.342770 Density= 0.430231 ETOT(band)= -0.468201 trlgG= -0.589381 logG= -0.058507 TDE= -0.342521 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010667 tlogG= -0.047727 logG= -0.058393 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430945 ETOT(band)= -0.467455 trlgG= -0.588340 logG= -0.058393 TDE= -0.342663 logGD-logG0= -0.009613 tlogG= -0.047767 logG= -0.057380 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.427363 ETOT(band)= -0.467851 trlgG= -0.585832 logG= -0.057380 TDE= -0.341493 logGD-logG0= -0.005187 tlogG= -0.022966 logG= -0.028153 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216321 ETOT(band)= -0.232050 trlgG= -0.290589 logG= -0.028153 TDE= -0.170898 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009944 tlogG= -0.046398 logG= -0.056341 Density= 0.429719 ETOT(band)= -0.465494 trlgG= -0.581523 logG= -0.056341 TDE= -0.341325 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010251 tlogG= -0.047568 logG= -0.057819 Density= 0.430201 ETOT(band)= -0.467053 trlgG= -0.586147 logG= -0.057819 TDE= -0.342059 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010327 tlogG= -0.046928 logG= -0.057255 Density= 0.430070 ETOT(band)= -0.466407 trlgG= -0.584218 logG= -0.057255 TDE= -0.341614 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010726 tlogG= -0.047266 logG= -0.057992 Density= 0.430674 ETOT(band)= -0.467031 trlgG= -0.586869 logG= -0.057992 TDE= -0.342279 logGD-logG0= -0.010694 tlogG= -0.048015 logG= -0.058709 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.431529 ETOT(band)= -0.467680 trlgG= -0.589691 logG= -0.058709 TDE= -0.343034 logGD-logG0= -0.004842 tlogG= -0.022326 logG= -0.027168 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323014 ETOT(band)= -0.347935 trlgG= -0.434016 logG= -0.027168 TDE= -0.170245 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001227 tlogG= -0.005468 logG= -0.006694 Density= 0.081236 ETOT(band)= -0.086343 trlgG= -0.107371 logG= -0.006694 TDE= -0.042572 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004801 tlogG= -0.022325 logG= -0.027127 Density= 0.215122 ETOT(band)= -0.231922 trlgG= -0.289092 logG= -0.027127 TDE= -0.170251 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.773578594321 eV TrLogG= -407.335913413433 eV Ratio to renormalize= 0.999585717604 rho-rho_expected= 0.009117990132 nargs= 1 argi=dmft2.def 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 12) Finished k-point number 26 2 with #bands= 9 15) Finished k-point number 32 2 with #bands= 8 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 43) Finished k-point number 87 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 43) Finished k-point number 88 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 36) Finished k-point number 74 2 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 47) Finished k-point number 95 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 75) Finished k-point number 151 1 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 53) Finished k-point number 108 2 with #bands= 8 19) Finished k-point number 40 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964618151439898 0.940332234550397 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.002609 tlogG= -0.012030 logG= -0.014638 Density= 0.053785 ETOT(band)= -0.058519 trlgG= -0.073675 logG= -0.014638 TDE= -0.085652 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002332 tlogG= -0.011881 logG= -0.014212 Density= 0.053583 ETOT(band)= -0.058387 trlgG= -0.073256 logG= -0.014212 TDE= -0.085559 logGD-logG0= -0.002427 tlogG= -0.012079 logG= -0.014506 Density= 0.053606 ETOT(band)= -0.058531 trlgG= -0.073618 logG= -0.014506 TDE= -0.085639 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002339 tlogG= -0.011445 logG= -0.013784 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001049 Density= 0.004545 ETOT(band)= -0.004732 trlgG= -0.005852 logG= -0.001049 TDE= -0.007052 Density= 0.053758 ETOT(band)= -0.058056 trlgG= -0.072492 logG= -0.013784 TDE= -0.085310 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001490 tlogG= -0.007810 logG= -0.009299 Density= 0.035507 ETOT(band)= -0.038915 trlgG= -0.048601 logG= -0.009299 TDE= -0.056872 logGD-logG0= -0.001409 tlogG= -0.008043 logG= -0.009451 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035328 ETOT(band)= -0.039066 trlgG= -0.048965 logG= -0.009451 TDE= -0.056996 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005164 tlogG= -0.023758 logG= -0.028922 Density= 0.108222 ETOT(band)= -0.116513 trlgG= -0.146802 logG= -0.028922 TDE= -0.171434 logGD-logG0= -0.004968 tlogG= -0.022164 logG= -0.027132 Density= 0.108403 ETOT(band)= -0.115404 trlgG= -0.143939 logG= -0.027132 TDE= -0.170450 logGD-logG0= -0.005159 tlogG= -0.023424 logG= -0.028584 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108175 ETOT(band)= -0.116351 trlgG= -0.146267 logG= -0.028584 TDE= -0.171214 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004332 tlogG= -0.024047 logG= -0.028379 Density= 0.106161 ETOT(band)= -0.117135 trlgG= -0.146769 logG= -0.028379 TDE= -0.170924 logGD-logG0= -0.002566 tlogG= -0.011981 logG= -0.014547 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054160 ETOT(band)= -0.058282 trlgG= -0.073538 logG= -0.014547 TDE= -0.085793 logGD-logG0= -0.002635 tlogG= -0.011985 logG= -0.014619 Density= 0.054005 ETOT(band)= -0.058402 trlgG= -0.073659 logG= -0.014619 TDE= -0.085764 logGD-logG0= -0.005291 tlogG= -0.024066 logG= -0.029358 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005118 tlogG= -0.022977 logG= -0.028095 Density= 0.107687 ETOT(band)= -0.117039 trlgG= -0.147495 logG= -0.029358 TDE= -0.171426 logGD-logG0= -0.004555 tlogG= -0.024041 logG= -0.028597 Density= 0.106432 ETOT(band)= -0.117124 trlgG= -0.146778 logG= -0.028597 TDE= -0.170849 Density= 0.108179 ETOT(band)= -0.116082 trlgG= -0.145493 logG= -0.028095 TDE= -0.170931 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005050 tlogG= -0.022452 logG= -0.027502 Density= 0.108247 ETOT(band)= -0.115709 trlgG= -0.144546 logG= -0.027502 TDE= -0.170611 logGD-logG0= -0.004877 tlogG= -0.022845 logG= -0.027721 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005151 tlogG= -0.023944 logG= -0.029095 Density= 0.108273 ETOT(band)= -0.116588 trlgG= -0.147081 logG= -0.029095 TDE= -0.171564 logGD-logG0= -0.004359 tlogG= -0.023970 logG= -0.028329 Density= 0.106213 ETOT(band)= -0.117092 trlgG= -0.146656 logG= -0.028329 TDE= -0.170886 logGD-logG0= -0.004634 tlogG= -0.023201 logG= -0.027835 Density= 0.106780 ETOT(band)= -0.116593 trlgG= -0.145450 logG= -0.027835 TDE= -0.170455 logGD-logG0= -0.005299 tlogG= -0.023679 logG= -0.028978 Density= 0.107791 ETOT(band)= -0.116065 trlgG= -0.144910 logG= -0.027721 TDE= -0.170529 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107275 ETOT(band)= -0.116973 trlgG= -0.146826 logG= -0.028978 TDE= -0.170934 logGD-logG0= -0.004843 tlogG= -0.023683 logG= -0.028526 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005141 tlogG= -0.023599 logG= -0.028740 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108248 ETOT(band)= -0.116398 trlgG= -0.146511 logG= -0.028740 TDE= -0.171338 logGD-logG0= -0.005335 tlogG= -0.024127 logG= -0.029462 Density= 0.107422 ETOT(band)= -0.116694 trlgG= -0.146377 logG= -0.028526 TDE= -0.171009 Density= 0.107855 ETOT(band)= -0.117035 trlgG= -0.147684 logG= -0.029462 TDE= -0.171594 logGD-logG0= -0.005025 tlogG= -0.022403 logG= -0.027428 Density= 0.107678 ETOT(band)= -0.115936 trlgG= -0.144425 logG= -0.027428 TDE= -0.170281 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004721 tlogG= -0.022985 logG= -0.027706 Density= 0.106916 ETOT(band)= -0.116462 trlgG= -0.145187 logG= -0.027706 TDE= -0.170389 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005111 tlogG= -0.023210 logG= -0.028320 Density= 0.108238 ETOT(band)= -0.116175 trlgG= -0.145849 logG= -0.028320 TDE= -0.171090 logGD-logG0= -0.005242 tlogG= -0.023962 logG= -0.029204 Density= 0.107488 ETOT(band)= -0.117026 trlgG= -0.147222 logG= -0.029204 TDE= -0.171208 logGD-logG0= -0.005302 tlogG= -0.024081 logG= -0.029383 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107932 ETOT(band)= -0.116947 trlgG= -0.147559 logG= -0.029383 TDE= -0.171586 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005138 tlogG= -0.023865 logG= -0.029004 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108294 ETOT(band)= -0.116523 trlgG= -0.146932 logG= -0.029004 TDE= -0.171517 logGD-logG0= -0.004893 tlogG= -0.024064 logG= -0.028957 Density= 0.107100 ETOT(band)= -0.117066 trlgG= -0.147144 logG= -0.028957 TDE= -0.171185 logGD-logG0= -0.004745 tlogG= -0.023496 logG= -0.028241 Density= 0.106817 ETOT(band)= -0.116784 trlgG= -0.145934 logG= -0.028241 TDE= -0.170551 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005045 tlogG= -0.022728 logG= -0.027774 logGD-logG0= -0.005324 tlogG= -0.023897 logG= -0.029221 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107796 ETOT(band)= -0.116906 trlgG= -0.147280 logG= -0.029221 TDE= -0.171401 Density= 0.108292 ETOT(band)= -0.115846 trlgG= -0.144982 logG= -0.027774 TDE= -0.170797 logGD-logG0= -0.005006 tlogG= -0.024088 logG= -0.029094 logGD-logG0= -0.005124 tlogG= -0.022870 logG= -0.027994 Density= 0.107424 ETOT(band)= -0.117004 trlgG= -0.147118 logG= -0.029094 TDE= -0.171183 Density= 0.107660 ETOT(band)= -0.116269 trlgG= -0.145321 logG= -0.027994 TDE= -0.170602 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004914 tlogG= -0.023889 logG= -0.028803 Density= 0.106801 ETOT(band)= -0.117085 trlgG= -0.146889 logG= -0.028803 TDE= -0.170936 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005288 tlogG= -0.023864 logG= -0.029152 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107960 ETOT(band)= -0.116774 trlgG= -0.147174 logG= -0.029152 TDE= -0.171446 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005009 tlogG= -0.023639 logG= -0.028648 logGD-logG0= -0.005277 tlogG= -0.024052 logG= -0.029329 Density= 0.107022 ETOT(band)= -0.116902 trlgG= -0.146276 logG= -0.028648 TDE= -0.170588 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004721 tlogG= -0.023681 logG= -0.028402 Density= 0.107019 ETOT(band)= -0.116813 trlgG= -0.146467 logG= -0.028402 TDE= -0.171024 logGD-logG0= -0.005326 tlogG= -0.023573 logG= -0.028899 Density= 0.107844 ETOT(band)= -0.116678 trlgG= -0.146759 logG= -0.028899 TDE= -0.171227 logGD-logG0= -0.004691 tlogG= -0.023664 logG= -0.028355 Density= 0.107992 ETOT(band)= -0.116880 trlgG= -0.147470 logG= -0.029329 TDE= -0.171581 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.106641 ETOT(band)= -0.116930 trlgG= -0.146362 logG= -0.028355 TDE= -0.170779 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004754 tlogG= -0.022847 logG= -0.027600 logGD-logG0= -0.009776 tlogG= -0.045580 logG= -0.055356 Density= 0.107341 ETOT(band)= -0.116209 trlgG= -0.145036 logG= -0.027600 TDE= -0.170553 Density= 0.214451 ETOT(band)= -0.232602 trlgG= -0.290150 logG= -0.055356 TDE= -0.340915 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009130 tlogG= -0.047623 logG= -0.056753 logGD-logG0= -0.005314 tlogG= -0.023191 logG= -0.028506 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107727 ETOT(band)= -0.116517 trlgG= -0.146130 logG= -0.028506 TDE= -0.170933 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213013 ETOT(band)= -0.233983 trlgG= -0.292859 logG= -0.056753 TDE= -0.341515 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009809 tlogG= -0.048234 logG= -0.058042 logGD-logG0= -0.009833 tlogG= -0.047148 logG= -0.056980 logGD-logG0= -0.009497 tlogG= -0.045750 logG= -0.055248 Density= 0.215106 ETOT(band)= -0.232252 trlgG= -0.289973 logG= -0.055248 TDE= -0.341171 Density= 0.214490 ETOT(band)= -0.234090 trlgG= -0.294362 logG= -0.058042 TDE= -0.342460 Density= 0.213865 ETOT(band)= -0.233729 trlgG= -0.292579 logG= -0.056980 TDE= -0.341430 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009955 tlogG= -0.047890 logG= -0.057845 Density= 0.214057 ETOT(band)= -0.234129 trlgG= -0.294050 logG= -0.057845 TDE= -0.342132 logGD-logG0= -0.009675 tlogG= -0.047149 logG= -0.056824 Density= 0.213855 ETOT(band)= -0.233685 trlgG= -0.292787 logG= -0.056824 TDE= -0.341789 logGD-logG0= -0.009559 tlogG= -0.047923 logG= -0.057482 logGD-logG0= -0.009881 tlogG= -0.045640 logG= -0.055521 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213360 ETOT(band)= -0.234192 trlgG= -0.293502 logG= -0.057482 TDE= -0.341601 logGD-logG0= -0.010530 tlogG= -0.047738 logG= -0.058268 Density= 0.214847 ETOT(band)= -0.234014 trlgG= -0.294196 logG= -0.058268 TDE= -0.342245 logGD-logG0= -0.001694 tlogG= -0.007303 logG= -0.008997 Density= 0.035858 ETOT(band)= -0.038567 trlgG= -0.047904 logG= -0.008997 TDE= -0.056651 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215238 ETOT(band)= -0.232328 trlgG= -0.289965 logG= -0.055521 TDE= -0.340954 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001629 tlogG= -0.006990 logG= -0.008618 Density= 0.036211 ETOT(band)= -0.038118 trlgG= -0.047244 logG= -0.008618 TDE= -0.056544 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009448 tlogG= -0.047437 logG= -0.056886 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002409 tlogG= -0.010423 logG= -0.012833 Density= 0.054400 ETOT(band)= -0.057060 trlgG= -0.070687 logG= -0.012833 TDE= -0.084774 logGD-logG0= -0.010395 tlogG= -0.047777 logG= -0.058172 Density= 0.214400 ETOT(band)= -0.233515 trlgG= -0.292918 logG= -0.056886 TDE= -0.342128 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010485 tlogG= -0.048072 logG= -0.058557 Density= 0.215161 ETOT(band)= -0.234068 trlgG= -0.294707 logG= -0.058557 TDE= -0.342621 logGD-logG0= -0.010334 tlogG= -0.047971 logG= -0.058304 Density= 0.215163 ETOT(band)= -0.233923 trlgG= -0.294290 logG= -0.058304 TDE= -0.342460 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010566 tlogG= -0.048006 logG= -0.058573 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002469 tlogG= -0.010838 logG= -0.013308 Density= 0.215197 ETOT(band)= -0.234059 trlgG= -0.294734 logG= -0.058573 TDE= -0.342652 Density= 0.214745 ETOT(band)= -0.234008 trlgG= -0.294027 logG= -0.058172 TDE= -0.342122 Density= 0.054085 ETOT(band)= -0.057577 trlgG= -0.071534 logG= -0.013308 TDE= -0.084990 logGD-logG0= -0.010078 tlogG= -0.048019 logG= -0.058097 Density= 0.214621 ETOT(band)= -0.234037 trlgG= -0.294112 logG= -0.058097 TDE= -0.342219 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010626 tlogG= -0.047517 logG= -0.058143 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010193 tlogG= -0.047652 logG= -0.057845 Density= 0.214038 ETOT(band)= -0.234115 trlgG= -0.293803 logG= -0.057845 TDE= -0.341874 Density= 0.215791 ETOT(band)= -0.233515 trlgG= -0.294079 logG= -0.058143 TDE= -0.342720 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010552 tlogG= -0.047930 logG= -0.058481 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010420 tlogG= -0.047301 logG= -0.057721 Density= 0.214351 ETOT(band)= -0.233908 trlgG= -0.293279 logG= -0.057721 TDE= -0.341629 logGD-logG0= -0.010589 tlogG= -0.047414 logG= -0.058002 logGD-logG0= -0.010679 tlogG= -0.048137 logG= -0.058816 Density= 0.215987 ETOT(band)= -0.233631 trlgG= -0.294641 logG= -0.058481 TDE= -0.343041 Density= 0.215558 ETOT(band)= -0.233556 trlgG= -0.293839 logG= -0.058002 TDE= -0.342506 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215514 ETOT(band)= -0.234084 trlgG= -0.295171 logG= -0.058816 TDE= -0.343002 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009803 tlogG= -0.047215 logG= -0.057018 Density= 0.214565 ETOT(band)= -0.233477 trlgG= -0.292691 logG= -0.057018 TDE= -0.341851 logGD-logG0= -0.010193 tlogG= -0.046404 logG= -0.056597 Density= 0.215304 ETOT(band)= -0.232889 trlgG= -0.291597 logG= -0.056597 TDE= -0.341543 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010606 tlogG= -0.047878 logG= -0.058484 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010631 tlogG= -0.046871 logG= -0.057502 Density= 0.215858 ETOT(band)= -0.233704 trlgG= -0.294643 logG= -0.058484 TDE= -0.342976 Density= 0.215519 ETOT(band)= -0.233279 trlgG= -0.293039 logG= -0.057502 TDE= -0.342187 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004917 tlogG= -0.021559 logG= -0.026476 Density= 0.108558 ETOT(band)= -0.114853 trlgG= -0.142810 logG= -0.026476 TDE= -0.170055 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005082 tlogG= -0.021813 logG= -0.026895 Density= 0.107832 ETOT(band)= -0.115508 trlgG= -0.143551 logG= -0.026895 TDE= -0.170017 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010104 tlogG= -0.047143 logG= -0.057248 Density= 0.215240 ETOT(band)= -0.233290 trlgG= -0.292613 logG= -0.057248 TDE= -0.341877 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005003 tlogG= -0.021869 logG= -0.026872 Density= 0.108367 ETOT(band)= -0.115219 trlgG= -0.143490 logG= -0.026872 TDE= -0.170243 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005022 tlogG= -0.021690 logG= -0.026712 Density= 0.107975 ETOT(band)= -0.115316 trlgG= -0.143242 logG= -0.026712 TDE= -0.169961 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010039 tlogG= -0.043380 logG= -0.053419 Density= 0.216365 ETOT(band)= -0.230421 trlgG= -0.286459 logG= -0.053419 TDE= -0.340108 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004836 tlogG= -0.020984 logG= -0.025820 Density= 0.108754 ETOT(band)= -0.114266 trlgG= -0.141654 logG= -0.025820 TDE= -0.169651 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001280 tlogG= -0.005938 logG= -0.007217 Density= 0.080865 ETOT(band)= -0.087628 trlgG= -0.110353 logG= -0.007217 TDE= -0.042862 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001261 tlogG= -0.005746 logG= -0.007007 logGD-logG0= -0.001275 tlogG= -0.005854 logG= -0.007129 Density= 0.080669 ETOT(band)= -0.087378 trlgG= -0.109602 logG= -0.007007 TDE= -0.042743 Density= 0.080682 ETOT(band)= -0.087593 trlgG= -0.110156 logG= -0.007129 TDE= -0.042808 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001240 tlogG= -0.005618 logG= -0.006858 Density= 0.080871 ETOT(band)= -0.086950 trlgG= -0.108600 logG= -0.006858 TDE= -0.042666 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001278 tlogG= -0.005982 logG= -0.007260 Density= 0.081095 ETOT(band)= -0.087531 trlgG= -0.110406 logG= -0.007260 TDE= -0.042892 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004439 tlogG= -0.023735 logG= -0.028175 Density= 0.213174 ETOT(band)= -0.233534 trlgG= -0.291739 logG= -0.028175 TDE= -0.170764 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001435 tlogG= -0.007964 logG= -0.009399 Density= 0.070896 ETOT(band)= -0.077932 trlgG= -0.097445 logG= -0.009399 TDE= -0.056957 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004609 tlogG= -0.023886 logG= -0.028495 Density= 0.213369 ETOT(band)= -0.233809 trlgG= -0.292469 logG= -0.028495 TDE= -0.170768 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001585 tlogG= -0.006872 logG= -0.008457 Density= 0.040865 ETOT(band)= -0.042665 trlgG= -0.052794 logG= -0.008457 TDE= -0.056458 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004974 tlogG= -0.022901 logG= -0.027875 Density= 0.214885 ETOT(band)= -0.232350 trlgG= -0.289666 logG= -0.027875 TDE= -0.170417 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005233 tlogG= -0.023995 logG= -0.029228 Density= 0.215777 ETOT(band)= -0.233804 trlgG= -0.294797 logG= -0.029228 TDE= -0.171562 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005267 tlogG= -0.023793 logG= -0.029060 Density= 0.215424 ETOT(band)= -0.233710 trlgG= -0.294144 logG= -0.029060 TDE= -0.171410 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005259 tlogG= -0.023478 logG= -0.028737 Density= 0.215304 ETOT(band)= -0.233276 trlgG= -0.292881 logG= -0.028737 TDE= -0.171153 logGD-logG0= -0.004306 tlogG= -0.024127 logG= -0.028433 Density= 0.212259 ETOT(band)= -0.234321 trlgG= -0.293661 logG= -0.028433 TDE= -0.170962 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001208 tlogG= -0.005306 logG= -0.006513 logGD-logG0= -0.005082 tlogG= -0.023840 logG= -0.028922 Density= 0.081591 ETOT(band)= -0.085670 trlgG= -0.106203 logG= -0.006513 TDE= -0.042458 Density= 0.215586 ETOT(band)= -0.233706 trlgG= -0.294247 logG= -0.028922 TDE= -0.171098 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005197 tlogG= -0.023993 logG= -0.029190 Density= 0.216446 ETOT(band)= -0.233287 trlgG= -0.294322 logG= -0.029190 TDE= -0.171580 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005127 tlogG= -0.022434 logG= -0.027561 Density= 0.216458 ETOT(band)= -0.231236 trlgG= -0.288581 logG= -0.027561 TDE= -0.170552 logGD-logG0= -0.005085 tlogG= -0.023952 logG= -0.029036 Density= 0.214429 ETOT(band)= -0.234042 trlgG= -0.293886 logG= -0.029036 TDE= -0.171048 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.024116 logG= -0.029442 Density= 0.215809 ETOT(band)= -0.233960 trlgG= -0.295212 logG= -0.029442 TDE= -0.171594 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001189 tlogG= -0.005170 logG= -0.006359 logGD-logG0= -0.004779 tlogG= -0.024001 logG= -0.028780 Density= 0.062566 ETOT(band)= -0.067530 trlgG= -0.084201 logG= -0.006359 TDE= -0.042356 Density= 0.321699 ETOT(band)= -0.351029 trlgG= -0.441300 logG= -0.028780 TDE= -0.171210 logGD-logG0= -0.001697 tlogG= -0.007115 logG= -0.008812 Density= 0.072259 ETOT(band)= -0.076464 trlgG= -0.094835 logG= -0.008812 TDE= -0.056618 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005051 tlogG= -0.024157 logG= -0.029208 Density= 0.322575 ETOT(band)= -0.351141 trlgG= -0.441977 logG= -0.029208 TDE= -0.171216 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004495 tlogG= -0.023582 logG= -0.028077 logGD-logG0= -0.005025 tlogG= -0.024152 logG= -0.029177 logGD-logG0= -0.004583 tlogG= -0.023968 logG= -0.028551 logGD-logG0= -0.005210 tlogG= -0.023756 logG= -0.028966 Density= 0.216369 ETOT(band)= -0.232985 trlgG= -0.293385 logG= -0.028966 TDE= -0.171412 Density= 0.212896 ETOT(band)= -0.234218 trlgG= -0.293462 logG= -0.028551 TDE= -0.170816 Density= 0.212707 ETOT(band)= -0.233941 trlgG= -0.292714 logG= -0.028077 TDE= -0.170680 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214831 ETOT(band)= -0.234114 trlgG= -0.294501 logG= -0.029177 TDE= -0.171221 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010423 tlogG= -0.047774 logG= -0.058197 Density= 0.324486 ETOT(band)= -0.349835 trlgG= -0.440981 logG= -0.058197 TDE= -0.343000 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005217 tlogG= -0.023409 logG= -0.028626 Density= 0.216287 ETOT(band)= -0.232606 trlgG= -0.292179 logG= -0.028626 TDE= -0.171173 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005190 tlogG= -0.023950 logG= -0.029140 Density= 0.216480 ETOT(band)= -0.233183 trlgG= -0.294089 logG= -0.029140 TDE= -0.171553 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004747 tlogG= -0.024001 logG= -0.028748 logGD-logG0= -0.005189 tlogG= -0.022962 logG= -0.028151 Density= 0.216314 ETOT(band)= -0.232033 trlgG= -0.290565 logG= -0.028151 TDE= -0.170886 logGD-logG0= -0.005256 tlogG= -0.024079 logG= -0.029335 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323197 ETOT(band)= -0.351114 trlgG= -0.442627 logG= -0.029335 TDE= -0.171408 Density= 0.214209 ETOT(band)= -0.234033 trlgG= -0.294104 logG= -0.028748 TDE= -0.171215 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004691 tlogG= -0.023362 logG= -0.028054 logGD-logG0= -0.010469 tlogG= -0.047223 logG= -0.057693 Density= 0.324268 ETOT(band)= -0.349469 trlgG= -0.439634 logG= -0.057693 TDE= -0.342608 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010705 tlogG= -0.048030 logG= -0.058735 Density= 0.321769 ETOT(band)= -0.349982 trlgG= -0.438725 logG= -0.028054 TDE= -0.170885 logGD-logG0= -0.009698 tlogG= -0.046595 logG= -0.056293 Density= 0.322838 ETOT(band)= -0.348938 trlgG= -0.436367 logG= -0.056293 TDE= -0.341580 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010192 tlogG= -0.045621 logG= -0.055813 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005374 tlogG= -0.023892 logG= -0.029266 Density= 0.215736 ETOT(band)= -0.233706 trlgG= -0.294525 logG= -0.029266 TDE= -0.171418 Density= 0.324177 ETOT(band)= -0.347871 trlgG= -0.434933 logG= -0.055813 TDE= -0.341427 logGD-logG0= -0.001575 tlogG= -0.007587 logG= -0.009161 Density= 0.071526 ETOT(band)= -0.077331 trlgG= -0.096147 logG= -0.009161 TDE= -0.056732 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323383 ETOT(band)= -0.350906 trlgG= -0.442324 logG= -0.058735 TDE= -0.342992 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010467 tlogG= -0.046403 logG= -0.056870 Density= 0.324131 ETOT(band)= -0.348814 trlgG= -0.437550 logG= -0.056870 TDE= -0.342051 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005037 tlogG= -0.023240 logG= -0.028277 Density= 0.321836 ETOT(band)= -0.350488 trlgG= -0.439575 logG= -0.028277 TDE= -0.170839 logGD-logG0= -0.004842 tlogG= -0.023831 logG= -0.028673 Density= 0.213661 ETOT(band)= -0.234095 trlgG= -0.293715 logG= -0.028673 TDE= -0.171033 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005089 tlogG= -0.021874 logG= -0.026964 Density= 0.216715 ETOT(band)= -0.230239 trlgG= -0.286464 logG= -0.026964 TDE= -0.170212 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005422 tlogG= -0.023678 logG= -0.029100 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215498 ETOT(band)= -0.233559 trlgG= -0.293828 logG= -0.029100 TDE= -0.171241 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005359 tlogG= -0.023951 logG= -0.029310 Density= 0.323797 ETOT(band)= -0.350579 trlgG= -0.442068 logG= -0.029310 TDE= -0.171466 logGD-logG0= -0.004790 tlogG= -0.023239 logG= -0.028029 Density= 0.213587 ETOT(band)= -0.233563 trlgG= -0.292199 logG= -0.028029 TDE= -0.170729 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009655 tlogG= -0.047829 logG= -0.057483 Density= 0.428214 ETOT(band)= -0.468050 trlgG= -0.587794 logG= -0.057483 TDE= -0.342235 logGD-logG0= -0.004659 tlogG= -0.023365 logG= -0.028025 Density= 0.214272 ETOT(band)= -0.233321 trlgG= -0.292312 logG= -0.028025 TDE= -0.170893 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010157 tlogG= -0.048138 logG= -0.058296 logGD-logG0= -0.005176 tlogG= -0.023191 logG= -0.028367 Density= 0.214956 ETOT(band)= -0.232903 trlgG= -0.291195 logG= -0.028367 TDE= -0.170603 Density= 0.429479 ETOT(band)= -0.468161 trlgG= -0.588563 logG= -0.058296 TDE= -0.342282 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009461 tlogG= -0.046705 logG= -0.056165 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.428068 ETOT(band)= -0.466028 trlgG= -0.581796 logG= -0.056165 TDE= -0.341189 logGD-logG0= -0.008969 tlogG= -0.048087 logG= -0.057056 Density= 0.425709 ETOT(band)= -0.468236 trlgG= -0.586411 logG= -0.057056 TDE= -0.341749 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005442 tlogG= -0.023350 logG= -0.028792 Density= 0.215196 ETOT(band)= -0.233302 trlgG= -0.292688 logG= -0.028792 TDE= -0.170947 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010267 tlogG= -0.047659 logG= -0.057926 logGD-logG0= -0.010669 tlogG= -0.047720 logG= -0.058389 Density= 0.428468 ETOT(band)= -0.468033 trlgG= -0.587125 logG= -0.057926 TDE= -0.341876 Density= 0.430930 ETOT(band)= -0.467420 trlgG= -0.588289 logG= -0.058389 TDE= -0.342638 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010775 tlogG= -0.047680 logG= -0.058455 Density= 0.431272 ETOT(band)= -0.467363 trlgG= -0.588648 logG= -0.058455 TDE= -0.342745 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009518 tlogG= -0.046597 logG= -0.056115 logGD-logG0= -0.010326 tlogG= -0.047947 logG= -0.058273 Density= 0.429382 ETOT(band)= -0.468123 trlgG= -0.588208 logG= -0.058273 TDE= -0.342121 Density= 0.428273 ETOT(band)= -0.466749 trlgG= -0.584402 logG= -0.056115 TDE= -0.341605 logGD-logG0= -0.004959 tlogG= -0.021201 logG= -0.026160 Density= 0.216434 ETOT(band)= -0.229992 trlgG= -0.285517 logG= -0.026160 TDE= -0.169787 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009614 tlogG= -0.047762 logG= -0.057376 Density= 0.427352 ETOT(band)= -0.467813 trlgG= -0.585780 logG= -0.057376 TDE= -0.341468 logGD-logG0= -0.010500 tlogG= -0.048061 logG= -0.058562 logGD-logG0= -0.004922 tlogG= -0.023879 logG= -0.028801 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213876 ETOT(band)= -0.233956 trlgG= -0.292978 logG= -0.028801 TDE= -0.170778 Density= 0.430323 ETOT(band)= -0.467996 trlgG= -0.589002 logG= -0.058562 TDE= -0.342621 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010290 tlogG= -0.048212 logG= -0.058502 Density= 0.430216 ETOT(band)= -0.468166 trlgG= -0.589330 logG= -0.058502 TDE= -0.342496 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009830 tlogG= -0.047843 logG= -0.057674 Density= 0.429314 ETOT(band)= -0.467826 trlgG= -0.587767 logG= -0.057674 TDE= -0.342223 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004918 tlogG= -0.021296 logG= -0.026214 Density= 0.162716 ETOT(band)= -0.172950 trlgG= -0.215900 logG= -0.026214 TDE= -0.169867 logGD-logG0= -0.009947 tlogG= -0.046390 logG= -0.056337 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429707 ETOT(band)= -0.465458 trlgG= -0.581472 logG= -0.056337 TDE= -0.341301 logGD-logG0= -0.009660 tlogG= -0.047643 logG= -0.057303 Density= 0.426848 ETOT(band)= -0.468263 trlgG= -0.586927 logG= -0.057303 TDE= -0.341766 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010330 tlogG= -0.046921 logG= -0.057251 Density= 0.430057 ETOT(band)= -0.466372 trlgG= -0.584167 logG= -0.057251 TDE= -0.341589 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010011 tlogG= -0.047549 logG= -0.057560 Density= 0.428784 ETOT(band)= -0.467379 trlgG= -0.586166 logG= -0.057560 TDE= -0.341921 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004843 tlogG= -0.022322 logG= -0.027166 Density= 0.323005 ETOT(band)= -0.347908 trlgG= -0.433978 logG= -0.027166 TDE= -0.170233 logGD-logG0= -0.001227 tlogG= -0.005467 logG= -0.006694 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010699 tlogG= -0.048006 logG= -0.058705 Density= 0.081233 ETOT(band)= -0.086337 trlgG= -0.107362 logG= -0.006694 TDE= -0.042569 Density= 0.431513 ETOT(band)= -0.467645 trlgG= -0.589641 logG= -0.058705 TDE= -0.343010 logGD-logG0= -0.010728 tlogG= -0.047259 logG= -0.057987 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.430659 ETOT(band)= -0.466996 trlgG= -0.586818 logG= -0.057987 TDE= -0.342254 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004956 tlogG= -0.022287 logG= -0.027243 Density= 0.214348 ETOT(band)= -0.232391 trlgG= -0.289419 logG= -0.027243 TDE= -0.170152 logGD-logG0= -0.010254 tlogG= -0.047561 logG= -0.057814 Density= 0.430187 ETOT(band)= -0.467018 trlgG= -0.586095 logG= -0.057814 TDE= -0.342034 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009985 tlogG= -0.044613 logG= -0.054597 Density= 0.324419 ETOT(band)= -0.346603 trlgG= -0.431923 logG= -0.054597 TDE= -0.340749 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004924 tlogG= -0.022469 logG= -0.027393 Density= 0.215111 ETOT(band)= -0.231615 trlgG= -0.288022 logG= -0.027393 TDE= -0.170165 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004803 tlogG= -0.022322 logG= -0.027125 Density= 0.215117 ETOT(band)= -0.231904 trlgG= -0.289067 logG= -0.027125 TDE= -0.170239 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009833 tlogG= -0.044615 logG= -0.054448 Density= 0.431784 ETOT(band)= -0.461987 trlgG= -0.574693 logG= -0.054448 TDE= -0.340386 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005000 tlogG= -0.021345 logG= -0.026346 Density= 0.217109 ETOT(band)= -0.229132 trlgG= -0.284261 logG= -0.026346 TDE= -0.169880 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.748467660289 eV TrLogG= -407.296108966741 eV Ratio to renormalize= 0.999616520907 rho-rho_expected= 0.008439776524 nargs= 1 argi=dmft2.def 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 1) Finished k-point number 4 2 with #bands= 9 5) Finished k-point number 11 1 with #bands= 9 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 6) Finished k-point number 13 1 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 28 2 with #bands= 9 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 8) Finished k-point number 17 1 with #bands= 8 3) Finished k-point number 7 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 64) Finished k-point number 129 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 71) Finished k-point number 143 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 24) Finished k-point number 49 1 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 60) Finished k-point number 121 1 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 28) Finished k-point number 57 1 with #bands= 8 27) Finished k-point number 55 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 53) Finished k-point number 107 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 35) Finished k-point number 71 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 41) Finished k-point number 83 1 with #bands= 9 41) Finished k-point number 84 2 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 32) Finished k-point number 65 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 44) Finished k-point number 90 2 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 39) Finished k-point number 80 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964569608848906 0.940235728876878 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.001490 tlogG= -0.007807 logG= -0.009297 Density= 0.035505 ETOT(band)= -0.038908 trlgG= -0.048591 logG= -0.009297 TDE= -0.056864 logGD-logG0= -0.001409 tlogG= -0.008040 logG= -0.009449 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.035326 ETOT(band)= -0.039059 trlgG= -0.048955 logG= -0.009449 TDE= -0.056987 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004334 tlogG= -0.024038 logG= -0.028372 logGD-logG0= -0.004361 tlogG= -0.023961 logG= -0.028322 Density= 0.106208 ETOT(band)= -0.117070 trlgG= -0.146626 logG= -0.028322 TDE= -0.170861 Density= 0.106156 ETOT(band)= -0.117114 trlgG= -0.146739 logG= -0.028372 TDE= -0.170898 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.022395 logG= -0.027423 Density= 0.107672 ETOT(band)= -0.115916 trlgG= -0.144397 logG= -0.027423 TDE= -0.170256 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.000196 tlogG= -0.000852 logG= -0.001048 Density= 0.004544 ETOT(band)= -0.004731 trlgG= -0.005851 logG= -0.001048 TDE= -0.007051 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002610 tlogG= -0.012025 logG= -0.014635 Density= 0.053781 ETOT(band)= -0.058509 trlgG= -0.073660 logG= -0.014635 TDE= -0.085639 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002333 tlogG= -0.011876 logG= -0.014209 Density= 0.053580 ETOT(band)= -0.058377 trlgG= -0.073241 logG= -0.014209 TDE= -0.085546 logGD-logG0= -0.002428 tlogG= -0.012075 logG= -0.014503 Density= 0.053603 ETOT(band)= -0.058520 trlgG= -0.073603 logG= -0.014503 TDE= -0.085626 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001630 tlogG= -0.006987 logG= -0.008617 Density= 0.036208 ETOT(band)= -0.038112 trlgG= -0.047235 logG= -0.008617 TDE= -0.056536 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.002411 tlogG= -0.010419 logG= -0.012830 Density= 0.054396 ETOT(band)= -0.057051 trlgG= -0.070674 logG= -0.012830 TDE= -0.084762 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005164 tlogG= -0.023414 logG= -0.028578 Density= 0.108167 ETOT(band)= -0.116333 trlgG= -0.146239 logG= -0.028578 TDE= -0.171188 logGD-logG0= -0.002340 tlogG= -0.011441 logG= -0.013781 Density= 0.053755 ETOT(band)= -0.058046 trlgG= -0.072477 logG= -0.013781 TDE= -0.085297 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005054 tlogG= -0.022442 logG= -0.027496 Density= 0.108240 ETOT(band)= -0.115690 trlgG= -0.144519 logG= -0.027496 TDE= -0.170586 logGD-logG0= -0.002568 tlogG= -0.011976 logG= -0.014544 Density= 0.054156 ETOT(band)= -0.058272 trlgG= -0.073524 logG= -0.014544 TDE= -0.085780 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005169 tlogG= -0.023747 logG= -0.028916 Density= 0.108214 ETOT(band)= -0.116494 trlgG= -0.146775 logG= -0.028916 TDE= -0.171409 logGD-logG0= -0.005122 tlogG= -0.022967 logG= -0.028089 Density= 0.108172 ETOT(band)= -0.116063 trlgG= -0.145465 logG= -0.028089 TDE= -0.170905 logGD-logG0= -0.005293 tlogG= -0.024058 logG= -0.029351 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107680 ETOT(band)= -0.117020 trlgG= -0.147466 logG= -0.029351 TDE= -0.171400 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004635 tlogG= -0.023193 logG= -0.027828 Density= 0.106774 ETOT(band)= -0.116572 trlgG= -0.145420 logG= -0.027828 TDE= -0.170429 logGD-logG0= -0.005156 tlogG= -0.023934 logG= -0.029090 logGD-logG0= -0.005009 tlogG= -0.024079 logG= -0.029087 logGD-logG0= -0.004971 tlogG= -0.022155 logG= -0.027126 Density= 0.108265 ETOT(band)= -0.116569 trlgG= -0.147053 logG= -0.029090 TDE= -0.171539 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108396 ETOT(band)= -0.115385 trlgG= -0.143912 logG= -0.027126 TDE= -0.170425 Density= 0.107417 ETOT(band)= -0.116985 trlgG= -0.147090 logG= -0.029087 TDE= -0.171157 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.023674 logG= -0.028520 Density= 0.107416 ETOT(band)= -0.116674 trlgG= -0.146349 logG= -0.028520 TDE= -0.170983 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005340 tlogG= -0.024116 logG= -0.029456 Density= 0.107848 ETOT(band)= -0.117016 trlgG= -0.147655 logG= -0.029456 TDE= -0.171568 logGD-logG0= -0.002637 tlogG= -0.011979 logG= -0.014616 logGD-logG0= -0.005307 tlogG= -0.024070 logG= -0.029377 Density= 0.054001 ETOT(band)= -0.058393 trlgG= -0.073645 logG= -0.014616 TDE= -0.085751 Density= 0.107925 ETOT(band)= -0.116928 trlgG= -0.147530 logG= -0.029377 TDE= -0.171560 logGD-logG0= -0.005244 tlogG= -0.023953 logG= -0.029197 logGD-logG0= -0.005301 tlogG= -0.023670 logG= -0.028971 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107269 ETOT(band)= -0.116953 trlgG= -0.146797 logG= -0.028971 TDE= -0.170907 Density= 0.107481 ETOT(band)= -0.117006 trlgG= -0.147192 logG= -0.029197 TDE= -0.171182 logGD-logG0= -0.004722 tlogG= -0.022977 logG= -0.027699 Density= 0.106910 ETOT(band)= -0.116442 trlgG= -0.145158 logG= -0.027699 TDE= -0.170363 logGD-logG0= -0.004840 tlogG= -0.020975 logG= -0.025815 Density= 0.108747 ETOT(band)= -0.114248 trlgG= -0.141628 logG= -0.025815 TDE= -0.169626 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005326 tlogG= -0.023889 logG= -0.029215 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005115 tlogG= -0.023200 logG= -0.028315 logGD-logG0= -0.005146 tlogG= -0.023589 logG= -0.028735 Density= 0.108240 ETOT(band)= -0.116379 trlgG= -0.146484 logG= -0.028735 TDE= -0.171312 logGD-logG0= -0.005009 tlogG= -0.023632 logG= -0.028642 Density= 0.107016 ETOT(band)= -0.116882 trlgG= -0.146246 logG= -0.028642 TDE= -0.170561 Density= 0.107789 ETOT(band)= -0.116886 trlgG= -0.147251 logG= -0.029215 TDE= -0.171375 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005143 tlogG= -0.023855 logG= -0.028998 Density= 0.108286 ETOT(band)= -0.116505 trlgG= -0.146904 logG= -0.028998 TDE= -0.171491 logGD-logG0= -0.004747 tlogG= -0.023488 logG= -0.028235 Density= 0.106811 ETOT(band)= -0.116763 trlgG= -0.145905 logG= -0.028235 TDE= -0.170526 logGD-logG0= -0.004556 tlogG= -0.024034 logG= -0.028590 Density= 0.106426 ETOT(band)= -0.117103 trlgG= -0.146749 logG= -0.028590 TDE= -0.170824 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108231 ETOT(band)= -0.116156 trlgG= -0.145821 logG= -0.028315 TDE= -0.171064 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004879 tlogG= -0.022836 logG= -0.027715 logGD-logG0= -0.004914 tlogG= -0.023882 logG= -0.028797 Density= 0.107785 ETOT(band)= -0.116045 trlgG= -0.144882 logG= -0.027715 TDE= -0.170504 Density= 0.106795 ETOT(band)= -0.117064 trlgG= -0.146859 logG= -0.028797 TDE= -0.170910 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022862 logG= -0.027988 Density= 0.107653 ETOT(band)= -0.116250 trlgG= -0.145292 logG= -0.027988 TDE= -0.170577 logGD-logG0= -0.005050 tlogG= -0.022718 logG= -0.027768 logGD-logG0= -0.004692 tlogG= -0.023657 logG= -0.028348 Density= 0.106636 ETOT(band)= -0.116909 trlgG= -0.146332 logG= -0.028348 TDE= -0.170753 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005293 tlogG= -0.023853 logG= -0.029146 Density= 0.108285 ETOT(band)= -0.115827 trlgG= -0.144955 logG= -0.027768 TDE= -0.170772 Density= 0.107952 ETOT(band)= -0.116755 trlgG= -0.147146 logG= -0.029146 TDE= -0.171420 logGD-logG0= -0.004896 tlogG= -0.024054 logG= -0.028951 logGD-logG0= -0.005282 tlogG= -0.024041 logG= -0.029323 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107984 ETOT(band)= -0.116861 trlgG= -0.147442 logG= -0.029323 TDE= -0.171554 Density= 0.107094 ETOT(band)= -0.117046 trlgG= -0.147115 logG= -0.028951 TDE= -0.171159 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004724 tlogG= -0.023672 logG= -0.028396 Density= 0.107014 ETOT(band)= -0.116793 trlgG= -0.146438 logG= -0.028396 TDE= -0.170998 logGD-logG0= -0.005330 tlogG= -0.023563 logG= -0.028893 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107837 ETOT(band)= -0.116659 trlgG= -0.146731 logG= -0.028893 TDE= -0.171200 logGD-logG0= -0.004757 tlogG= -0.022838 logG= -0.027594 logGD-logG0= -0.005316 tlogG= -0.023183 logG= -0.028500 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107335 ETOT(band)= -0.116189 trlgG= -0.145007 logG= -0.027594 TDE= -0.170527 Density= 0.107720 ETOT(band)= -0.116497 trlgG= -0.146102 logG= -0.028500 TDE= -0.170907 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009814 tlogG= -0.048215 logG= -0.058030 Density= 0.214477 ETOT(band)= -0.234050 trlgG= -0.294305 logG= -0.058030 TDE= -0.342409 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009503 tlogG= -0.045733 logG= -0.055236 Density= 0.215094 ETOT(band)= -0.232213 trlgG= -0.289916 logG= -0.055236 TDE= -0.341120 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009133 tlogG= -0.047607 logG= -0.056740 logGD-logG0= -0.009681 tlogG= -0.047130 logG= -0.056812 Density= 0.213002 ETOT(band)= -0.233941 trlgG= -0.292800 logG= -0.056740 TDE= -0.341464 Density= 0.213843 ETOT(band)= -0.233644 trlgG= -0.292728 logG= -0.056812 TDE= -0.341737 logGD-logG0= -0.009782 tlogG= -0.045562 logG= -0.055344 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214439 ETOT(band)= -0.232562 trlgG= -0.290093 logG= -0.055344 TDE= -0.340864 logGD-logG0= -0.009960 tlogG= -0.047871 logG= -0.057832 Density= 0.214045 ETOT(band)= -0.234088 trlgG= -0.293992 logG= -0.057832 TDE= -0.342080 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009834 tlogG= -0.047133 logG= -0.056967 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.213854 ETOT(band)= -0.233688 trlgG= -0.292521 logG= -0.056967 TDE= -0.341379 logGD-logG0= -0.009560 tlogG= -0.047909 logG= -0.057469 Density= 0.213349 ETOT(band)= -0.234151 trlgG= -0.293442 logG= -0.057469 TDE= -0.341549 logGD-logG0= -0.010535 tlogG= -0.047720 logG= -0.058255 Density= 0.214833 ETOT(band)= -0.233975 trlgG= -0.294137 logG= -0.058255 TDE= -0.342192 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009454 tlogG= -0.047419 logG= -0.056873 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010490 tlogG= -0.048055 logG= -0.058545 Density= 0.214387 ETOT(band)= -0.233475 trlgG= -0.292860 logG= -0.056873 TDE= -0.342077 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215146 ETOT(band)= -0.234029 trlgG= -0.294648 logG= -0.058545 TDE= -0.342568 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010083 tlogG= -0.048001 logG= -0.058085 Density= 0.214607 ETOT(band)= -0.233997 trlgG= -0.294055 logG= -0.058085 TDE= -0.342168 logGD-logG0= -0.010338 tlogG= -0.047954 logG= -0.058292 Density= 0.215149 ETOT(band)= -0.233884 trlgG= -0.294232 logG= -0.058292 TDE= -0.342406 logGD-logG0= -0.010571 tlogG= -0.047989 logG= -0.058560 logGD-logG0= -0.010197 tlogG= -0.047635 logG= -0.057832 Density= 0.214025 ETOT(band)= -0.234075 trlgG= -0.293744 logG= -0.057832 TDE= -0.341823 logGD-logG0= -0.001695 tlogG= -0.007300 logG= -0.008995 Density= 0.035856 ETOT(band)= -0.038560 trlgG= -0.047895 logG= -0.008995 TDE= -0.056643 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215183 ETOT(band)= -0.234020 trlgG= -0.294675 logG= -0.058560 TDE= -0.342598 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010636 tlogG= -0.047495 logG= -0.058131 Density= 0.215775 ETOT(band)= -0.233477 trlgG= -0.294022 logG= -0.058131 TDE= -0.342668 logGD-logG0= -0.010399 tlogG= -0.047760 logG= -0.058159 logGD-logG0= -0.010683 tlogG= -0.048120 logG= -0.058804 Density= 0.214732 ETOT(band)= -0.233968 trlgG= -0.293968 logG= -0.058159 TDE= -0.342068 logGD-logG0= -0.009886 tlogG= -0.045623 logG= -0.055509 Density= 0.215225 ETOT(band)= -0.232288 trlgG= -0.289909 logG= -0.055509 TDE= -0.340904 logGD-logG0= -0.010421 tlogG= -0.047287 logG= -0.057708 logGD-logG0= -0.010592 tlogG= -0.047398 logG= -0.057990 Density= 0.215499 ETOT(band)= -0.234046 trlgG= -0.295113 logG= -0.058804 TDE= -0.342948 Density= 0.214338 ETOT(band)= -0.233868 trlgG= -0.293220 logG= -0.057708 TDE= -0.341577 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215543 ETOT(band)= -0.233517 trlgG= -0.293782 logG= -0.057990 TDE= -0.342453 logGD-logG0= -0.010198 tlogG= -0.046387 logG= -0.056585 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010562 tlogG= -0.047908 logG= -0.058470 Density= 0.215971 ETOT(band)= -0.233593 trlgG= -0.294585 logG= -0.058470 TDE= -0.342988 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215291 ETOT(band)= -0.232850 trlgG= -0.291539 logG= -0.056585 TDE= -0.341491 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010616 tlogG= -0.047856 logG= -0.058472 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215843 ETOT(band)= -0.233666 trlgG= -0.294586 logG= -0.058472 TDE= -0.342924 logGD-logG0= -0.002471 tlogG= -0.010834 logG= -0.013305 Density= 0.054082 ETOT(band)= -0.057567 trlgG= -0.071520 logG= -0.013305 TDE= -0.084977 logGD-logG0= -0.009809 tlogG= -0.047197 logG= -0.057005 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214553 ETOT(band)= -0.233437 trlgG= -0.292634 logG= -0.057005 TDE= -0.341800 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010635 tlogG= -0.046855 logG= -0.057490 Density= 0.215505 ETOT(band)= -0.233241 trlgG= -0.292982 logG= -0.057490 TDE= -0.342134 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010109 tlogG= -0.047126 logG= -0.057236 Density= 0.215226 ETOT(band)= -0.233251 trlgG= -0.292555 logG= -0.057236 TDE= -0.341825 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005007 tlogG= -0.021860 logG= -0.026867 Density= 0.108361 ETOT(band)= -0.115200 trlgG= -0.143463 logG= -0.026867 TDE= -0.170218 logGD-logG0= -0.004921 tlogG= -0.021550 logG= -0.026470 Density= 0.108551 ETOT(band)= -0.114834 trlgG= -0.142784 logG= -0.026470 TDE= -0.170030 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005085 tlogG= -0.021804 logG= -0.026889 Density= 0.107826 ETOT(band)= -0.115489 trlgG= -0.143523 logG= -0.026889 TDE= -0.169992 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005026 tlogG= -0.021681 logG= -0.026707 Density= 0.107969 ETOT(band)= -0.115297 trlgG= -0.143214 logG= -0.026707 TDE= -0.169936 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010045 tlogG= -0.043363 logG= -0.053408 Density= 0.216352 ETOT(band)= -0.230383 trlgG= -0.286405 logG= -0.053408 TDE= -0.340058 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001436 tlogG= -0.007961 logG= -0.009397 Density= 0.070893 ETOT(band)= -0.077918 trlgG= -0.097425 logG= -0.009397 TDE= -0.056948 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004497 tlogG= -0.023574 logG= -0.028070 Density= 0.212697 ETOT(band)= -0.233898 trlgG= -0.292654 logG= -0.028070 TDE= -0.170654 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001190 tlogG= -0.005168 logG= -0.006358 Density= 0.062563 ETOT(band)= -0.067518 trlgG= -0.084185 logG= -0.006358 TDE= -0.042350 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004975 tlogG= -0.022894 logG= -0.027869 Density= 0.214873 ETOT(band)= -0.232311 trlgG= -0.289609 logG= -0.027869 TDE= -0.170391 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004307 tlogG= -0.024118 logG= -0.028426 Density= 0.212250 ETOT(band)= -0.234278 trlgG= -0.293601 logG= -0.028426 TDE= -0.170937 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001209 tlogG= -0.005303 logG= -0.006512 Density= 0.081586 ETOT(band)= -0.085656 trlgG= -0.106183 logG= -0.006512 TDE= -0.042451 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001698 tlogG= -0.007112 logG= -0.008810 Density= 0.072255 ETOT(band)= -0.076452 trlgG= -0.094817 logG= -0.008810 TDE= -0.056610 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004441 tlogG= -0.023727 logG= -0.028168 Density= 0.213164 ETOT(band)= -0.233492 trlgG= -0.291680 logG= -0.028168 TDE= -0.170739 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004610 tlogG= -0.023878 logG= -0.028488 logGD-logG0= -0.001587 tlogG= -0.006869 logG= -0.008456 Density= 0.040862 ETOT(band)= -0.042658 trlgG= -0.052785 logG= -0.008456 TDE= -0.056450 logGD-logG0= -0.001281 tlogG= -0.005935 logG= -0.007216 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.080860 ETOT(band)= -0.087613 trlgG= -0.110332 logG= -0.007216 TDE= -0.042856 Density= 0.213358 ETOT(band)= -0.233768 trlgG= -0.292411 logG= -0.028488 TDE= -0.170743 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001262 tlogG= -0.005744 logG= -0.007006 Density= 0.080664 ETOT(band)= -0.087363 trlgG= -0.109581 logG= -0.007006 TDE= -0.042736 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001575 tlogG= -0.007584 logG= -0.009159 Density= 0.071523 ETOT(band)= -0.077318 trlgG= -0.096128 logG= -0.009159 TDE= -0.056724 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001276 tlogG= -0.005852 logG= -0.007128 Density= 0.080677 ETOT(band)= -0.087578 trlgG= -0.110135 logG= -0.007128 TDE= -0.042802 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001279 tlogG= -0.005980 logG= -0.007259 logGD-logG0= -0.001241 tlogG= -0.005616 logG= -0.006856 Density= 0.081089 ETOT(band)= -0.087517 trlgG= -0.110385 logG= -0.007259 TDE= -0.042886 Density= 0.080866 ETOT(band)= -0.086935 trlgG= -0.108579 logG= -0.006856 TDE= -0.042660 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005238 tlogG= -0.023984 logG= -0.029222 Density= 0.215761 ETOT(band)= -0.233766 trlgG= -0.294740 logG= -0.029222 TDE= -0.171536 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005272 tlogG= -0.023783 logG= -0.029054 Density= 0.215409 ETOT(band)= -0.233671 trlgG= -0.294087 logG= -0.029054 TDE= -0.171384 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005005 tlogG= -0.021336 logG= -0.026341 Density= 0.217095 ETOT(band)= -0.229095 trlgG= -0.284208 logG= -0.026341 TDE= -0.169855 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005261 tlogG= -0.023470 logG= -0.028731 Density= 0.215290 ETOT(band)= -0.233237 trlgG= -0.292825 logG= -0.028731 TDE= -0.171127 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005202 tlogG= -0.023983 logG= -0.029184 Density= 0.216430 ETOT(band)= -0.233249 trlgG= -0.294266 logG= -0.029184 TDE= -0.171554 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004782 tlogG= -0.023991 logG= -0.028774 Density= 0.321680 ETOT(band)= -0.350969 trlgG= -0.441214 logG= -0.028774 TDE= -0.171185 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005084 tlogG= -0.023832 logG= -0.028916 Density= 0.215571 ETOT(band)= -0.233667 trlgG= -0.294189 logG= -0.028916 TDE= -0.171071 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005331 tlogG= -0.024105 logG= -0.029436 Density= 0.215794 ETOT(band)= -0.233921 trlgG= -0.295155 logG= -0.029436 TDE= -0.171568 logGD-logG0= -0.005053 tlogG= -0.024148 logG= -0.029202 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.322554 ETOT(band)= -0.351082 trlgG= -0.441890 logG= -0.029202 TDE= -0.171191 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005088 tlogG= -0.023942 logG= -0.029030 Density= 0.214416 ETOT(band)= -0.234002 trlgG= -0.293827 logG= -0.029030 TDE= -0.171022 logGD-logG0= -0.010479 tlogG= -0.047202 logG= -0.057681 Density= 0.324245 ETOT(band)= -0.349412 trlgG= -0.439550 logG= -0.057681 TDE= -0.342556 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005130 tlogG= -0.022425 logG= -0.027556 Density= 0.216445 ETOT(band)= -0.231199 trlgG= -0.288526 logG= -0.027556 TDE= -0.170527 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005028 tlogG= -0.024143 logG= -0.029170 logGD-logG0= -0.010196 tlogG= -0.045605 logG= -0.055801 Density= 0.214817 ETOT(band)= -0.234075 trlgG= -0.294443 logG= -0.029170 TDE= -0.171195 logGD-logG0= -0.010433 tlogG= -0.047753 logG= -0.058186 Density= 0.324463 ETOT(band)= -0.349779 trlgG= -0.440897 logG= -0.058186 TDE= -0.342947 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004959 tlogG= -0.022278 logG= -0.027237 Density= 0.214337 ETOT(band)= -0.232351 trlgG= -0.289361 logG= -0.027237 TDE= -0.170127 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004923 tlogG= -0.023872 logG= -0.028795 Density= 0.213864 ETOT(band)= -0.233916 trlgG= -0.292919 logG= -0.028795 TDE= -0.170752 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.324157 ETOT(band)= -0.347814 trlgG= -0.434849 logG= -0.055801 TDE= -0.341376 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005195 tlogG= -0.023940 logG= -0.029135 Density= 0.216464 ETOT(band)= -0.233145 trlgG= -0.294034 logG= -0.029135 TDE= -0.171527 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010712 tlogG= -0.048011 logG= -0.058723 logGD-logG0= -0.004694 tlogG= -0.023353 logG= -0.028048 Density= 0.323360 ETOT(band)= -0.350848 trlgG= -0.442237 logG= -0.058723 TDE= -0.342939 logGD-logG0= -0.005258 tlogG= -0.024071 logG= -0.029329 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.321750 ETOT(band)= -0.349922 trlgG= -0.438639 logG= -0.028048 TDE= -0.170860 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.323175 ETOT(band)= -0.351055 trlgG= -0.442539 logG= -0.029329 TDE= -0.171381 logGD-logG0= -0.005215 tlogG= -0.023745 logG= -0.028960 Density= 0.216353 ETOT(band)= -0.232948 trlgG= -0.293330 logG= -0.028960 TDE= -0.171386 logGD-logG0= -0.005221 tlogG= -0.023399 logG= -0.028620 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216272 ETOT(band)= -0.232569 trlgG= -0.292124 logG= -0.028620 TDE= -0.171147 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005379 tlogG= -0.023881 logG= -0.029260 logGD-logG0= -0.005193 tlogG= -0.022952 logG= -0.028145 Density= 0.215721 ETOT(band)= -0.233668 trlgG= -0.294468 logG= -0.029260 TDE= -0.171392 Density= 0.216300 ETOT(band)= -0.231995 trlgG= -0.290509 logG= -0.028145 TDE= -0.170860 logGD-logG0= -0.005039 tlogG= -0.023232 logG= -0.028271 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004845 tlogG= -0.023821 logG= -0.028666 Density= 0.321816 ETOT(band)= -0.350428 trlgG= -0.439488 logG= -0.028271 TDE= -0.170814 Density= 0.213650 ETOT(band)= -0.234054 trlgG= -0.293656 logG= -0.028666 TDE= -0.171007 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004750 tlogG= -0.023992 logG= -0.028742 Density= 0.214197 ETOT(band)= -0.233992 trlgG= -0.294046 logG= -0.028742 TDE= -0.171189 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010475 tlogG= -0.046383 logG= -0.056858 logGD-logG0= -0.004793 tlogG= -0.023230 logG= -0.028023 Density= 0.213576 ETOT(band)= -0.233521 trlgG= -0.292140 logG= -0.028023 TDE= -0.170704 Density= 0.324109 ETOT(band)= -0.348757 trlgG= -0.437466 logG= -0.056858 TDE= -0.341999 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.022461 logG= -0.027387 Density= 0.215099 ETOT(band)= -0.231575 trlgG= -0.287966 logG= -0.027387 TDE= -0.170140 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009704 tlogG= -0.046577 logG= -0.056281 logGD-logG0= -0.005427 tlogG= -0.023667 logG= -0.029094 Density= 0.322819 ETOT(band)= -0.348879 trlgG= -0.436283 logG= -0.056281 TDE= -0.341530 Density= 0.215483 ETOT(band)= -0.233520 trlgG= -0.293770 logG= -0.029094 TDE= -0.171214 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023184 logG= -0.028360 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214944 ETOT(band)= -0.232864 trlgG= -0.291137 logG= -0.028360 TDE= -0.170577 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004662 tlogG= -0.023356 logG= -0.028019 Density= 0.214260 ETOT(band)= -0.233281 trlgG= -0.292254 logG= -0.028019 TDE= -0.170868 logGD-logG0= -0.005364 tlogG= -0.023940 logG= -0.029304 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009660 tlogG= -0.047810 logG= -0.057471 Density= 0.428189 ETOT(band)= -0.467969 trlgG= -0.587677 logG= -0.057471 TDE= -0.342184 logGD-logG0= -0.008972 tlogG= -0.048071 logG= -0.057043 Density= 0.323774 ETOT(band)= -0.350522 trlgG= -0.441983 logG= -0.029304 TDE= -0.171440 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425689 ETOT(band)= -0.468151 trlgG= -0.586293 logG= -0.057043 TDE= -0.341698 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005443 tlogG= -0.023343 logG= -0.028786 Density= 0.215182 ETOT(band)= -0.233263 trlgG= -0.292631 logG= -0.028786 TDE= -0.170921 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010163 tlogG= -0.048120 logG= -0.058283 Density= 0.429452 ETOT(band)= -0.468082 trlgG= -0.588447 logG= -0.058283 TDE= -0.342231 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009463 tlogG= -0.046689 logG= -0.056152 Density= 0.428046 ETOT(band)= -0.465946 trlgG= -0.581679 logG= -0.056152 TDE= -0.341137 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009524 tlogG= -0.046579 logG= -0.056102 logGD-logG0= -0.010271 tlogG= -0.047642 logG= -0.057913 Density= 0.428250 ETOT(band)= -0.466667 trlgG= -0.584286 logG= -0.056102 TDE= -0.341554 Density= 0.428442 ETOT(band)= -0.467953 trlgG= -0.587008 logG= -0.057913 TDE= -0.341825 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004584 tlogG= -0.023960 logG= -0.028545 Density= 0.212886 ETOT(band)= -0.234176 trlgG= -0.293404 logG= -0.028545 TDE= -0.170791 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009836 tlogG= -0.047825 logG= -0.057661 logGD-logG0= -0.010784 tlogG= -0.047659 logG= -0.058443 Density= 0.431242 ETOT(band)= -0.467286 trlgG= -0.588533 logG= -0.058443 TDE= -0.342692 logGD-logG0= -0.010295 tlogG= -0.048194 logG= -0.058490 Density= 0.429287 ETOT(band)= -0.467747 trlgG= -0.587653 logG= -0.057661 TDE= -0.342172 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009661 tlogG= -0.047629 logG= -0.057290 Density= 0.426825 ETOT(band)= -0.468180 trlgG= -0.586808 logG= -0.057290 TDE= -0.341714 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010673 tlogG= -0.047704 logG= -0.058377 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430901 ETOT(band)= -0.467343 trlgG= -0.588173 logG= -0.058377 TDE= -0.342585 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010505 tlogG= -0.048044 logG= -0.058549 Density= 0.430294 ETOT(band)= -0.467918 trlgG= -0.588884 logG= -0.058549 TDE= -0.342568 Density= 0.430188 ETOT(band)= -0.468087 trlgG= -0.589212 logG= -0.058490 TDE= -0.342442 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010331 tlogG= -0.047929 logG= -0.058260 logGD-logG0= -0.004922 tlogG= -0.021287 logG= -0.026208 Density= 0.429355 ETOT(band)= -0.468044 trlgG= -0.588089 logG= -0.058260 TDE= -0.342068 Density= 0.162705 ETOT(band)= -0.172922 trlgG= -0.215860 logG= -0.026208 TDE= -0.169842 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009615 tlogG= -0.047747 logG= -0.057362 Density= 0.427328 ETOT(band)= -0.467731 trlgG= -0.585662 logG= -0.057362 TDE= -0.341417 logGD-logG0= -0.005093 tlogG= -0.021865 logG= -0.026958 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216702 ETOT(band)= -0.230201 trlgG= -0.286410 logG= -0.026958 TDE= -0.170187 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010335 tlogG= -0.046904 logG= -0.057238 Density= 0.430030 ETOT(band)= -0.466293 trlgG= -0.584051 logG= -0.057238 TDE= -0.341537 logGD-logG0= -0.010709 tlogG= -0.047984 logG= -0.058692 Density= 0.431483 ETOT(band)= -0.467569 trlgG= -0.589526 logG= -0.058692 TDE= -0.342957 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010016 tlogG= -0.047531 logG= -0.057547 Density= 0.428759 ETOT(band)= -0.467299 trlgG= -0.586051 logG= -0.057547 TDE= -0.341870 logGD-logG0= -0.009952 tlogG= -0.046372 logG= -0.056324 Density= 0.429683 ETOT(band)= -0.465378 trlgG= -0.581359 logG= -0.056324 TDE= -0.341250 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010732 tlogG= -0.047242 logG= -0.057975 Density= 0.430631 ETOT(band)= -0.466919 trlgG= -0.586703 logG= -0.057975 TDE= -0.342201 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004846 tlogG= -0.022314 logG= -0.027160 Density= 0.322986 ETOT(band)= -0.347849 trlgG= -0.433894 logG= -0.027160 TDE= -0.170208 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010259 tlogG= -0.047543 logG= -0.057802 Density= 0.430160 ETOT(band)= -0.466939 trlgG= -0.585979 logG= -0.057802 TDE= -0.341981 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004963 tlogG= -0.021191 logG= -0.026154 Density= 0.216421 ETOT(band)= -0.229954 trlgG= -0.285463 logG= -0.026154 TDE= -0.169762 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001228 tlogG= -0.005464 logG= -0.006692 Density= 0.081228 ETOT(band)= -0.086323 trlgG= -0.107342 logG= -0.006692 TDE= -0.042563 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009990 tlogG= -0.044596 logG= -0.054586 Density= 0.324399 ETOT(band)= -0.346546 trlgG= -0.431840 logG= -0.054586 TDE= -0.340699 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004806 tlogG= -0.022313 logG= -0.027119 Density= 0.215104 ETOT(band)= -0.231864 trlgG= -0.289010 logG= -0.027119 TDE= -0.170214 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009839 tlogG= -0.044597 logG= -0.054436 Density= 0.431758 ETOT(band)= -0.461910 trlgG= -0.574583 logG= -0.054436 TDE= -0.340335 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.693611857349 eV TrLogG= -407.207004921915 eV Ratio to renormalize= 0.999678434458 rho-rho_expected= 0.007076717557 nargs= 1 argi=dmft2.def 3) Finished k-point number 7 1 with #bands= 8 2) Finished k-point number 5 1 with #bands= 9 2) Finished k-point number 6 2 with #bands= 8 3) Finished k-point number 8 2 with #bands= 8 7) Finished k-point number 15 1 with #bands= 8 7) Finished k-point number 16 2 with #bands= 8 5) Finished k-point number 11 1 with #bands= 9 5) Finished k-point number 12 2 with #bands= 9 15) Finished k-point number 31 1 with #bands= 8 15) Finished k-point number 32 2 with #bands= 8 13) Finished k-point number 27 1 with #bands= 9 13) Finished k-point number 28 2 with #bands= 9 1) Finished k-point number 3 1 with #bands= 9 1) Finished k-point number 4 2 with #bands= 9 9) Finished k-point number 19 1 with #bands= 8 9) Finished k-point number 20 2 with #bands= 8 14) Finished k-point number 29 1 with #bands= 8 14) Finished k-point number 30 2 with #bands= 8 16) Finished k-point number 33 1 with #bands= 8 16) Finished k-point number 34 2 with #bands= 8 12) Finished k-point number 25 1 with #bands= 9 12) Finished k-point number 26 2 with #bands= 9 4) Finished k-point number 9 1 with #bands= 8 4) Finished k-point number 10 2 with #bands= 9 6) Finished k-point number 13 1 with #bands= 9 11) Finished k-point number 23 1 with #bands= 9 11) Finished k-point number 24 2 with #bands= 9 6) Finished k-point number 14 2 with #bands= 8 10) Finished k-point number 21 1 with #bands= 8 10) Finished k-point number 22 2 with #bands= 9 64) Finished k-point number 129 1 with #bands= 8 17) Finished k-point number 35 1 with #bands= 8 17) Finished k-point number 36 2 with #bands= 8 64) Finished k-point number 130 2 with #bands= 8 66) Finished k-point number 133 1 with #bands= 8 66) Finished k-point number 134 2 with #bands= 8 69) Finished k-point number 139 1 with #bands= 8 70) Finished k-point number 141 1 with #bands= 8 69) Finished k-point number 140 2 with #bands= 8 70) Finished k-point number 142 2 with #bands= 8 65) Finished k-point number 131 1 with #bands= 8 68) Finished k-point number 137 1 with #bands= 8 65) Finished k-point number 132 2 with #bands= 8 68) Finished k-point number 138 2 with #bands= 8 67) Finished k-point number 135 1 with #bands= 8 67) Finished k-point number 136 2 with #bands= 8 74) Finished k-point number 149 1 with #bands= 8 71) Finished k-point number 143 1 with #bands= 8 76) Finished k-point number 153 1 with #bands= 8 71) Finished k-point number 144 2 with #bands= 8 74) Finished k-point number 150 2 with #bands= 8 76) Finished k-point number 154 2 with #bands= 8 8) Finished k-point number 17 1 with #bands= 8 8) Finished k-point number 18 2 with #bands= 8 25) Finished k-point number 51 1 with #bands= 8 25) Finished k-point number 52 2 with #bands= 8 20) Finished k-point number 41 1 with #bands= 8 78) Finished k-point number 157 1 with #bands= 8 20) Finished k-point number 42 2 with #bands= 8 78) Finished k-point number 158 2 with #bands= 8 75) Finished k-point number 151 1 with #bands= 8 75) Finished k-point number 152 2 with #bands= 8 30) Finished k-point number 61 1 with #bands= 8 30) Finished k-point number 62 2 with #bands= 8 72) Finished k-point number 145 1 with #bands= 8 72) Finished k-point number 146 2 with #bands= 8 23) Finished k-point number 47 1 with #bands= 8 23) Finished k-point number 48 2 with #bands= 8 21) Finished k-point number 43 1 with #bands= 8 21) Finished k-point number 44 2 with #bands= 8 31) Finished k-point number 63 1 with #bands= 8 31) Finished k-point number 64 2 with #bands= 8 79) Finished k-point number 159 1 with #bands= 8 79) Finished k-point number 160 2 with #bands= 8 22) Finished k-point number 45 1 with #bands= 8 77) Finished k-point number 155 1 with #bands= 8 26) Finished k-point number 53 1 with #bands= 8 77) Finished k-point number 156 2 with #bands= 8 26) Finished k-point number 54 2 with #bands= 8 24) Finished k-point number 49 1 with #bands= 8 24) Finished k-point number 50 2 with #bands= 8 22) Finished k-point number 46 2 with #bands= 8 29) Finished k-point number 59 1 with #bands= 8 29) Finished k-point number 60 2 with #bands= 8 73) Finished k-point number 147 1 with #bands= 8 73) Finished k-point number 148 2 with #bands= 8 18) Finished k-point number 37 1 with #bands= 8 18) Finished k-point number 38 2 with #bands= 9 28) Finished k-point number 57 1 with #bands= 8 28) Finished k-point number 58 2 with #bands= 8 19) Finished k-point number 39 1 with #bands= 9 19) Finished k-point number 40 2 with #bands= 9 27) Finished k-point number 55 1 with #bands= 8 27) Finished k-point number 56 2 with #bands= 8 0) Finished k-point number 1 1 with #bands= 9 0) Finished k-point number 2 2 with #bands= 9 35) Finished k-point number 71 1 with #bands= 8 35) Finished k-point number 72 2 with #bands= 8 36) Finished k-point number 73 1 with #bands= 8 36) Finished k-point number 74 2 with #bands= 8 33) Finished k-point number 67 1 with #bands= 8 33) Finished k-point number 68 2 with #bands= 8 39) Finished k-point number 79 1 with #bands= 8 42) Finished k-point number 85 1 with #bands= 8 41) Finished k-point number 83 1 with #bands= 9 39) Finished k-point number 80 2 with #bands= 8 42) Finished k-point number 86 2 with #bands= 8 41) Finished k-point number 84 2 with #bands= 9 32) Finished k-point number 65 1 with #bands= 8 37) Finished k-point number 75 1 with #bands= 8 32) Finished k-point number 66 2 with #bands= 8 37) Finished k-point number 76 2 with #bands= 8 40) Finished k-point number 81 1 with #bands= 8 40) Finished k-point number 82 2 with #bands= 9 34) Finished k-point number 69 1 with #bands= 8 34) Finished k-point number 70 2 with #bands= 8 47) Finished k-point number 95 1 with #bands= 8 47) Finished k-point number 96 2 with #bands= 8 38) Finished k-point number 77 1 with #bands= 8 38) Finished k-point number 78 2 with #bands= 8 81) Finished k-point number 163 1 with #bands= 8 81) Finished k-point number 164 2 with #bands= 8 82) Finished k-point number 165 1 with #bands= 8 46) Finished k-point number 93 1 with #bands= 8 46) Finished k-point number 94 2 with #bands= 8 80) Finished k-point number 161 1 with #bands= 8 80) Finished k-point number 162 2 with #bands= 8 44) Finished k-point number 89 1 with #bands= 9 43) Finished k-point number 87 1 with #bands= 8 44) Finished k-point number 90 2 with #bands= 8 43) Finished k-point number 88 2 with #bands= 8 49) Finished k-point number 99 1 with #bands= 8 49) Finished k-point number 100 2 with #bands= 9 53) Finished k-point number 107 1 with #bands= 8 53) Finished k-point number 108 2 with #bands= 8 58) Finished k-point number 117 1 with #bands= 8 58) Finished k-point number 118 2 with #bands= 8 59) Finished k-point number 119 1 with #bands= 8 59) Finished k-point number 120 2 with #bands= 8 61) Finished k-point number 123 1 with #bands= 8 61) Finished k-point number 124 2 with #bands= 8 51) Finished k-point number 103 1 with #bands= 8 51) Finished k-point number 104 2 with #bands= 8 48) Finished k-point number 97 1 with #bands= 8 48) Finished k-point number 98 2 with #bands= 8 52) Finished k-point number 105 1 with #bands= 8 52) Finished k-point number 106 2 with #bands= 8 60) Finished k-point number 121 1 with #bands= 8 60) Finished k-point number 122 2 with #bands= 8 55) Finished k-point number 111 1 with #bands= 8 55) Finished k-point number 112 2 with #bands= 8 45) Finished k-point number 91 1 with #bands= 8 45) Finished k-point number 92 2 with #bands= 8 54) Finished k-point number 109 1 with #bands= 8 54) Finished k-point number 110 2 with #bands= 8 50) Finished k-point number 101 1 with #bands= 8 50) Finished k-point number 102 2 with #bands= 8 62) Finished k-point number 125 1 with #bands= 8 62) Finished k-point number 126 2 with #bands= 8 63) Finished k-point number 127 1 with #bands= 8 57) Finished k-point number 115 1 with #bands= 8 63) Finished k-point number 128 2 with #bands= 8 57) Finished k-point number 116 2 with #bands= 8 56) Finished k-point number 113 1 with #bands= 8 56) Finished k-point number 114 2 with #bands= 8 Renormalizing Gloc to account for the interstitials Z due to missing-interstitials= 0.964506462804140 0.940122775019428 mpr_proc= 2 myrank= 0 nprocs= 160 nkpt= 165 logGD-logG0= -0.000197 tlogG= -0.000852 logG= -0.001048 Density= 0.004544 ETOT(band)= -0.004731 trlgG= -0.005850 logG= -0.001048 TDE= -0.007050 0) Finished k-point 1 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 12 logGD-logG0= -0.002334 tlogG= -0.011872 logG= -0.014207 Density= 0.053578 ETOT(band)= -0.058368 trlgG= -0.073229 logG= -0.014207 TDE= -0.085535 logGD-logG0= -0.002611 tlogG= -0.012022 logG= -0.014633 30) Finished k-point 61 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.053778 ETOT(band)= -0.058501 trlgG= -0.073648 logG= -0.014633 TDE= -0.085627 37) Finished k-point 75 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001491 tlogG= -0.007805 logG= -0.009296 Density= 0.035504 ETOT(band)= -0.038902 trlgG= -0.048583 logG= -0.009296 TDE= -0.056856 3) Finished k-point 7 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001410 tlogG= -0.008038 logG= -0.009447 Density= 0.035325 ETOT(band)= -0.039053 trlgG= -0.048946 logG= -0.009447 TDE= -0.056979 4) Finished k-point 9 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002342 tlogG= -0.011437 logG= -0.013779 logGD-logG0= -0.002429 tlogG= -0.012071 logG= -0.014500 Density= 0.053753 ETOT(band)= -0.058038 trlgG= -0.072466 logG= -0.013779 TDE= -0.085286 Density= 0.053600 ETOT(band)= -0.058512 trlgG= -0.073591 logG= -0.014500 TDE= -0.085615 logGD-logG0= -0.002570 tlogG= -0.011972 logG= -0.014542 25) Finished k-point 51 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.054152 ETOT(band)= -0.058265 trlgG= -0.073513 logG= -0.014542 TDE= -0.085768 34) Finished k-point 69 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 40) Finished k-point 81 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004335 tlogG= -0.024032 logG= -0.028367 Density= 0.106152 ETOT(band)= -0.117095 trlgG= -0.146713 logG= -0.028367 TDE= -0.170875 8) Finished k-point 17 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004362 tlogG= -0.023955 logG= -0.028317 Density= 0.106204 ETOT(band)= -0.117052 trlgG= -0.146600 logG= -0.028317 TDE= -0.170838 logGD-logG0= -0.005168 tlogG= -0.023406 logG= -0.028574 Density= 0.108160 ETOT(band)= -0.116317 trlgG= -0.146216 logG= -0.028574 TDE= -0.171165 9) Finished k-point 19 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005296 tlogG= -0.024051 logG= -0.029347 logGD-logG0= -0.005173 tlogG= -0.023739 logG= -0.028912 Density= 0.107673 ETOT(band)= -0.117003 trlgG= -0.147441 logG= -0.029347 TDE= -0.171376 Density= 0.108207 ETOT(band)= -0.116479 trlgG= -0.146752 logG= -0.028912 TDE= -0.171386 59) Finished k-point 119 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004882 tlogG= -0.022829 logG= -0.027711 logGD-logG0= -0.005058 tlogG= -0.022434 logG= -0.027492 logGD-logG0= -0.004975 tlogG= -0.022147 logG= -0.027122 Density= 0.108389 ETOT(band)= -0.115369 trlgG= -0.143889 logG= -0.027122 TDE= -0.170403 Density= 0.107779 ETOT(band)= -0.116029 trlgG= -0.144858 logG= -0.027711 TDE= -0.170481 Density= 0.108233 ETOT(band)= -0.115674 trlgG= -0.144496 logG= -0.027492 TDE= -0.170563 62) Finished k-point 125 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 76) Finished k-point 153 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005126 tlogG= -0.022959 logG= -0.028085 Density= 0.108165 ETOT(band)= -0.116047 trlgG= -0.145442 logG= -0.028085 TDE= -0.170883 logGD-logG0= -0.005160 tlogG= -0.023925 logG= -0.029086 Density= 0.108258 ETOT(band)= -0.116553 trlgG= -0.147030 logG= -0.029086 TDE= -0.171516 20) Finished k-point 41 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 50) Finished k-point 101 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 65) Finished k-point 131 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 55) Finished k-point 111 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005011 tlogG= -0.024072 logG= -0.029083 64) Finished k-point 129 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002639 tlogG= -0.011975 logG= -0.014614 Density= 0.053998 ETOT(band)= -0.058385 trlgG= -0.073633 logG= -0.014614 TDE= -0.085739 Density= 0.107410 ETOT(band)= -0.116968 trlgG= -0.147066 logG= -0.029083 TDE= -0.171135 39) Finished k-point 79 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 74) Finished k-point 149 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004558 tlogG= -0.024028 logG= -0.028585 logGD-logG0= -0.005304 tlogG= -0.023663 logG= -0.028967 Density= 0.107262 ETOT(band)= -0.116936 trlgG= -0.146772 logG= -0.028967 TDE= -0.170884 logGD-logG0= -0.005328 tlogG= -0.023883 logG= -0.029211 logGD-logG0= -0.005312 tlogG= -0.024061 logG= -0.029373 Density= 0.107782 ETOT(band)= -0.116870 trlgG= -0.147227 logG= -0.029211 TDE= -0.171352 logGD-logG0= -0.005344 tlogG= -0.024107 logG= -0.029451 Density= 0.107841 ETOT(band)= -0.116999 trlgG= -0.147631 logG= -0.029451 TDE= -0.171545 Density= 0.107917 ETOT(band)= -0.116912 trlgG= -0.147506 logG= -0.029373 TDE= -0.171536 logGD-logG0= -0.005031 tlogG= -0.022388 logG= -0.027418 Density= 0.107666 ETOT(band)= -0.115900 trlgG= -0.144373 logG= -0.027418 TDE= -0.170234 Density= 0.106422 ETOT(band)= -0.117084 trlgG= -0.146724 logG= -0.028585 TDE= -0.170801 logGD-logG0= -0.005247 tlogG= -0.023946 logG= -0.029193 logGD-logG0= -0.005010 tlogG= -0.023627 logG= -0.028637 logGD-logG0= -0.004724 tlogG= -0.022971 logG= -0.027695 Density= 0.106905 ETOT(band)= -0.116424 trlgG= -0.145133 logG= -0.027695 TDE= -0.170340 28) Finished k-point 57 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107475 ETOT(band)= -0.116989 trlgG= -0.147167 logG= -0.029193 TDE= -0.171158 14) Finished k-point 29 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 82) Finished k-point 165 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 79) Finished k-point 159 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005119 tlogG= -0.023192 logG= -0.028311 Density= 0.108224 ETOT(band)= -0.116140 trlgG= -0.145798 logG= -0.028311 TDE= -0.171042 logGD-logG0= -0.005150 tlogG= -0.023581 logG= -0.028731 10) Finished k-point 21 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004748 tlogG= -0.023482 logG= -0.028230 Density= 0.106806 ETOT(band)= -0.116745 trlgG= -0.145881 logG= -0.028230 TDE= -0.170503 81) Finished k-point 163 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.108233 ETOT(band)= -0.116363 trlgG= -0.146461 logG= -0.028731 TDE= -0.171289 Density= 0.107010 ETOT(band)= -0.116864 trlgG= -0.146221 logG= -0.028637 TDE= -0.170538 33) Finished k-point 67 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 16) Finished k-point 33 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 15) Finished k-point 31 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 31) Finished k-point 63 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 71 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005053 tlogG= -0.022711 logG= -0.027764 22) Finished k-point 45 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004693 tlogG= -0.023651 logG= -0.028344 Density= 0.106631 ETOT(band)= -0.116891 trlgG= -0.146307 logG= -0.028344 TDE= -0.170730 Density= 0.108278 ETOT(band)= -0.115811 trlgG= -0.144932 logG= -0.027764 TDE= -0.170750 17) Finished k-point 35 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 53 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004915 tlogG= -0.023877 logG= -0.028792 Density= 0.106789 ETOT(band)= -0.117046 trlgG= -0.146834 logG= -0.028792 TDE= -0.170887 logGD-logG0= -0.005128 tlogG= -0.022856 logG= -0.027984 logGD-logG0= -0.004899 tlogG= -0.024047 logG= -0.028946 Density= 0.107647 ETOT(band)= -0.116233 trlgG= -0.145269 logG= -0.027984 TDE= -0.170554 logGD-logG0= -0.004727 tlogG= -0.023664 logG= -0.028391 Density= 0.107008 ETOT(band)= -0.116775 trlgG= -0.146413 logG= -0.028391 TDE= -0.170975 23) Finished k-point 47 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107088 ETOT(band)= -0.117028 trlgG= -0.147090 logG= -0.028946 TDE= -0.171137 21) Finished k-point 43 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 24) Finished k-point 49 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 29) Finished k-point 59 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005148 tlogG= -0.023847 logG= -0.028994 Density= 0.108278 ETOT(band)= -0.116489 trlgG= -0.146882 logG= -0.028994 TDE= -0.171469 logGD-logG0= -0.004848 tlogG= -0.023667 logG= -0.028515 Density= 0.107410 ETOT(band)= -0.116657 trlgG= -0.146325 logG= -0.028515 TDE= -0.170961 logGD-logG0= -0.004760 tlogG= -0.022830 logG= -0.027590 logGD-logG0= -0.005298 tlogG= -0.023845 logG= -0.029142 Density= 0.107329 ETOT(band)= -0.116172 trlgG= -0.144983 logG= -0.027590 TDE= -0.170505 logGD-logG0= -0.005286 tlogG= -0.024033 logG= -0.029319 38) Finished k-point 77 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107976 ETOT(band)= -0.116845 trlgG= -0.147418 logG= -0.029319 TDE= -0.171531 Density= 0.107945 ETOT(band)= -0.116739 trlgG= -0.147122 logG= -0.029142 TDE= -0.171397 71) Finished k-point 143 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005318 tlogG= -0.023177 logG= -0.028496 18) Finished k-point 37 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 77) Finished k-point 155 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 36) Finished k-point 73 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107713 ETOT(band)= -0.116481 trlgG= -0.146078 logG= -0.028496 TDE= -0.170884 logGD-logG0= -0.002413 tlogG= -0.010415 logG= -0.012829 logGD-logG0= -0.009820 tlogG= -0.048201 logG= -0.058020 Density= 0.214465 ETOT(band)= -0.234016 trlgG= -0.294256 logG= -0.058020 TDE= -0.342364 logGD-logG0= -0.005335 tlogG= -0.023554 logG= -0.028889 27) Finished k-point 55 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.107830 ETOT(band)= -0.116642 trlgG= -0.146707 logG= -0.028889 TDE= -0.171177 Density= 0.054393 ETOT(band)= -0.057043 trlgG= -0.070664 logG= -0.012829 TDE= -0.084751 58) Finished k-point 117 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 65 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 25 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009509 tlogG= -0.045718 logG= -0.055227 Density= 0.215082 ETOT(band)= -0.232178 trlgG= -0.289869 logG= -0.055227 TDE= -0.341075 logGD-logG0= -0.004637 tlogG= -0.023187 logG= -0.027824 Density= 0.106770 ETOT(band)= -0.116554 trlgG= -0.145396 logG= -0.027824 TDE= -0.170407 logGD-logG0= -0.009135 tlogG= -0.047595 logG= -0.056730 49) Finished k-point 99 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009687 tlogG= -0.047115 logG= -0.056802 Density= 0.212993 ETOT(band)= -0.233905 trlgG= -0.292750 logG= -0.056730 TDE= -0.341420 Density= 0.213832 ETOT(band)= -0.233608 trlgG= -0.292679 logG= -0.056802 TDE= -0.341692 logGD-logG0= -0.001631 tlogG= -0.006984 logG= -0.008616 Density= 0.036206 ETOT(band)= -0.038107 trlgG= -0.047228 logG= -0.008616 TDE= -0.056528 43) Finished k-point 87 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 7) Finished k-point 15 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 97 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010540 tlogG= -0.047706 logG= -0.058246 Density= 0.214820 ETOT(band)= -0.233941 trlgG= -0.294087 logG= -0.058246 TDE= -0.342145 1) Finished k-point 3 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009835 tlogG= -0.047123 logG= -0.056958 logGD-logG0= -0.009561 tlogG= -0.047898 logG= -0.057459 Density= 0.213843 ETOT(band)= -0.233652 trlgG= -0.292471 logG= -0.056958 TDE= -0.341334 Density= 0.213339 ETOT(band)= -0.234115 trlgG= -0.293392 logG= -0.057459 TDE= -0.341503 logGD-logG0= -0.009788 tlogG= -0.045548 logG= -0.055335 57) Finished k-point 115 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214429 ETOT(band)= -0.232527 trlgG= -0.290044 logG= -0.055335 TDE= -0.340819 47) Finished k-point 95 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 42) Finished k-point 85 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001696 tlogG= -0.007298 logG= -0.008994 Density= 0.035854 ETOT(band)= -0.038555 trlgG= -0.047887 logG= -0.008994 TDE= -0.056635 46) Finished k-point 93 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009460 tlogG= -0.047404 logG= -0.056864 logGD-logG0= -0.009966 tlogG= -0.047857 logG= -0.057822 Density= 0.214033 ETOT(band)= -0.234053 trlgG= -0.293943 logG= -0.057822 TDE= -0.342035 Density= 0.214376 ETOT(band)= -0.233440 trlgG= -0.292811 logG= -0.056864 TDE= -0.342031 2) Finished k-point 5 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 53) Finished k-point 107 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010495 tlogG= -0.048041 logG= -0.058536 Density= 0.215133 ETOT(band)= -0.233995 trlgG= -0.294599 logG= -0.058536 TDE= -0.342521 logGD-logG0= -0.010342 tlogG= -0.047941 logG= -0.058283 54) Finished k-point 109 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215136 ETOT(band)= -0.233850 trlgG= -0.294183 logG= -0.058283 TDE= -0.342360 61) Finished k-point 123 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 78) Finished k-point 157 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.002473 tlogG= -0.010831 logG= -0.013303 Density= 0.054079 ETOT(band)= -0.057559 trlgG= -0.071509 logG= -0.013303 TDE= -0.084966 logGD-logG0= -0.010200 tlogG= -0.047623 logG= -0.057823 logGD-logG0= -0.009892 tlogG= -0.045609 logG= -0.055501 Density= 0.215214 ETOT(band)= -0.232255 trlgG= -0.289861 logG= -0.055501 TDE= -0.340859 logGD-logG0= -0.010404 tlogG= -0.047746 logG= -0.058150 Density= 0.214719 ETOT(band)= -0.233934 trlgG= -0.293918 logG= -0.058150 TDE= -0.342021 Density= 0.214014 ETOT(band)= -0.234040 trlgG= -0.293695 logG= -0.057823 TDE= -0.341777 69) Finished k-point 139 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 91 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 19) Finished k-point 39 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010088 tlogG= -0.047987 logG= -0.058075 logGD-logG0= -0.010423 tlogG= -0.047276 logG= -0.057699 67) Finished k-point 135 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010571 tlogG= -0.047891 logG= -0.058461 Density= 0.215957 ETOT(band)= -0.233561 trlgG= -0.294537 logG= -0.058461 TDE= -0.342942 Density= 0.214595 ETOT(band)= -0.233963 trlgG= -0.294007 logG= -0.058075 TDE= -0.342124 logGD-logG0= -0.010575 tlogG= -0.047976 logG= -0.058551 Density= 0.214326 ETOT(band)= -0.233834 trlgG= -0.293171 logG= -0.057699 TDE= -0.341531 Density= 0.215169 ETOT(band)= -0.233986 trlgG= -0.294626 logG= -0.058551 TDE= -0.342552 63) Finished k-point 127 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 147 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 70) Finished k-point 141 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 52) Finished k-point 105 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010202 tlogG= -0.046374 logG= -0.056576 Density= 0.215279 ETOT(band)= -0.232817 trlgG= -0.291491 logG= -0.056576 TDE= -0.341446 51) Finished k-point 103 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010645 tlogG= -0.047478 logG= -0.058123 Density= 0.215761 ETOT(band)= -0.233444 trlgG= -0.293975 logG= -0.058123 TDE= -0.342622 logGD-logG0= -0.010625 tlogG= -0.047839 logG= -0.058464 logGD-logG0= -0.010687 tlogG= -0.048108 logG= -0.058795 Density= 0.215829 ETOT(band)= -0.233633 trlgG= -0.294539 logG= -0.058464 TDE= -0.342877 logGD-logG0= -0.010596 tlogG= -0.047385 logG= -0.057981 Density= 0.215529 ETOT(band)= -0.233484 trlgG= -0.293734 logG= -0.057981 TDE= -0.342407 Density= 0.215485 ETOT(band)= -0.234013 trlgG= -0.295064 logG= -0.058795 TDE= -0.342902 logGD-logG0= -0.009814 tlogG= -0.047182 logG= -0.056996 60) Finished k-point 121 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 72) Finished k-point 145 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.214541 ETOT(band)= -0.233402 trlgG= -0.292586 logG= -0.056996 TDE= -0.341756 75) Finished k-point 151 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 80) Finished k-point 161 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 133 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010114 tlogG= -0.047113 logG= -0.057227 Density= 0.215214 ETOT(band)= -0.233218 trlgG= -0.292507 logG= -0.057227 TDE= -0.341779 logGD-logG0= -0.010639 tlogG= -0.046842 logG= -0.057482 Density= 0.215492 ETOT(band)= -0.233208 trlgG= -0.292934 logG= -0.057482 TDE= -0.342088 68) Finished k-point 137 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 56) Finished k-point 113 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004844 tlogG= -0.020968 logG= -0.025812 Density= 0.108740 ETOT(band)= -0.114232 trlgG= -0.141606 logG= -0.025812 TDE= -0.169605 logGD-logG0= -0.004924 tlogG= -0.021542 logG= -0.026467 Density= 0.108544 ETOT(band)= -0.114818 trlgG= -0.142762 logG= -0.026467 TDE= -0.170008 13) Finished k-point 27 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 5) Finished k-point 11 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005010 tlogG= -0.021853 logG= -0.026863 Density= 0.108354 ETOT(band)= -0.115184 trlgG= -0.143440 logG= -0.026863 TDE= -0.170197 44) Finished k-point 89 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005088 tlogG= -0.021797 logG= -0.026885 Density= 0.107820 ETOT(band)= -0.115472 trlgG= -0.143500 logG= -0.026885 TDE= -0.169970 6) Finished k-point 13 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010051 tlogG= -0.043350 logG= -0.053401 Density= 0.216340 ETOT(band)= -0.230350 trlgG= -0.286360 logG= -0.053401 TDE= -0.340014 41) Finished k-point 83 1 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005029 tlogG= -0.021674 logG= -0.026703 Density= 0.107963 ETOT(band)= -0.115280 trlgG= -0.143191 logG= -0.026703 TDE= -0.169914 11) Finished k-point 23 1 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001436 tlogG= -0.007959 logG= -0.009395 Density= 0.070890 ETOT(band)= -0.077906 trlgG= -0.097408 logG= -0.009395 TDE= -0.056941 3) Finished k-point 8 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004309 tlogG= -0.024112 logG= -0.028421 Density= 0.212242 ETOT(band)= -0.234240 trlgG= -0.293549 logG= -0.028421 TDE= -0.170914 8) Finished k-point 18 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001588 tlogG= -0.006867 logG= -0.008455 logGD-logG0= -0.004498 tlogG= -0.023567 logG= -0.028066 Density= 0.212688 ETOT(band)= -0.233861 trlgG= -0.292603 logG= -0.028066 TDE= -0.170632 9) Finished k-point 20 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.040859 ETOT(band)= -0.042652 trlgG= -0.052777 logG= -0.008455 TDE= -0.056443 0) Finished k-point 2 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001263 tlogG= -0.005742 logG= -0.007005 Density= 0.080660 ETOT(band)= -0.087350 trlgG= -0.109563 logG= -0.007005 TDE= -0.042731 logGD-logG0= -0.001191 tlogG= -0.005166 logG= -0.006357 Density= 0.062560 ETOT(band)= -0.067508 trlgG= -0.084171 logG= -0.006357 TDE= -0.042344 30) Finished k-point 62 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 4) Finished k-point 10 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.001282 tlogG= -0.005933 logG= -0.007215 Density= 0.080855 ETOT(band)= -0.087601 trlgG= -0.110314 logG= -0.007215 TDE= -0.042850 37) Finished k-point 76 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004611 tlogG= -0.023872 logG= -0.028483 Density= 0.213348 ETOT(band)= -0.233732 trlgG= -0.292362 logG= -0.028483 TDE= -0.170721 15) Finished k-point 32 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004977 tlogG= -0.022888 logG= -0.027865 Density= 0.214862 ETOT(band)= -0.232276 trlgG= -0.289561 logG= -0.027865 TDE= -0.170369 14) Finished k-point 30 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001576 tlogG= -0.007582 logG= -0.009158 Density= 0.071519 ETOT(band)= -0.077306 trlgG= -0.096112 logG= -0.009158 TDE= -0.056716 2) Finished k-point 6 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001277 tlogG= -0.005850 logG= -0.007127 Density= 0.080672 ETOT(band)= -0.087565 trlgG= -0.110117 logG= -0.007127 TDE= -0.042796 logGD-logG0= -0.001242 tlogG= -0.005614 logG= -0.006856 34) Finished k-point 70 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.080861 ETOT(band)= -0.086922 trlgG= -0.108561 logG= -0.006856 TDE= -0.042655 25) Finished k-point 52 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001281 tlogG= -0.005978 logG= -0.007258 Density= 0.081083 ETOT(band)= -0.087504 trlgG= -0.110368 logG= -0.007258 TDE= -0.042880 logGD-logG0= -0.005243 tlogG= -0.023976 logG= -0.029218 39) Finished k-point 80 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215747 ETOT(band)= -0.233733 trlgG= -0.294692 logG= -0.029218 TDE= -0.171513 logGD-logG0= -0.001210 tlogG= -0.005302 logG= -0.006511 Density= 0.081581 ETOT(band)= -0.085644 trlgG= -0.106167 logG= -0.006511 TDE= -0.042446 76) Finished k-point 154 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 12) Finished k-point 26 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005276 tlogG= -0.023774 logG= -0.029050 Density= 0.215396 ETOT(band)= -0.233638 trlgG= -0.294040 logG= -0.029050 TDE= -0.171361 74) Finished k-point 150 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004443 tlogG= -0.023721 logG= -0.028163 Density= 0.213155 ETOT(band)= -0.233456 trlgG= -0.291630 logG= -0.028163 TDE= -0.170716 7) Finished k-point 16 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005087 tlogG= -0.023825 logG= -0.028912 Density= 0.215557 ETOT(band)= -0.233634 trlgG= -0.294141 logG= -0.028912 TDE= -0.171048 77) Finished k-point 156 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004785 tlogG= -0.023984 logG= -0.028769 Density= 0.321662 ETOT(band)= -0.350917 trlgG= -0.441141 logG= -0.028769 TDE= -0.171162 logGD-logG0= -0.005206 tlogG= -0.023974 logG= -0.029181 logGD-logG0= -0.005263 tlogG= -0.023464 logG= -0.028727 Density= 0.216415 ETOT(band)= -0.233218 trlgG= -0.294220 logG= -0.029181 TDE= -0.171531 58) Finished k-point 118 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 64) Finished k-point 130 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.215277 ETOT(band)= -0.233203 trlgG= -0.292777 logG= -0.028727 TDE= -0.171104 71) Finished k-point 144 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005336 tlogG= -0.024096 logG= -0.029431 Density= 0.215779 ETOT(band)= -0.233888 trlgG= -0.295107 logG= -0.029431 TDE= -0.171545 81) Finished k-point 164 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005090 tlogG= -0.023935 logG= -0.029025 Density= 0.214404 ETOT(band)= -0.233967 trlgG= -0.293778 logG= -0.029025 TDE= -0.171000 logGD-logG0= -0.005056 tlogG= -0.024141 logG= -0.029197 logGD-logG0= -0.005133 tlogG= -0.022418 logG= -0.027551 Density= 0.216432 ETOT(band)= -0.231166 trlgG= -0.288480 logG= -0.027551 TDE= -0.170504 Density= 0.322534 ETOT(band)= -0.351032 trlgG= -0.441817 logG= -0.029197 TDE= -0.171168 28) Finished k-point 58 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 20) Finished k-point 42 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 61) Finished k-point 124 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001699 tlogG= -0.007109 logG= -0.008808 Density= 0.072250 ETOT(band)= -0.076441 trlgG= -0.094802 logG= -0.008808 TDE= -0.056603 1) Finished k-point 4 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.005225 tlogG= -0.023390 logG= -0.028616 Density= 0.216259 ETOT(band)= -0.232536 trlgG= -0.292077 logG= -0.028616 TDE= -0.171125 31) Finished k-point 64 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005030 tlogG= -0.024135 logG= -0.029166 Density= 0.214804 ETOT(band)= -0.234041 trlgG= -0.294394 logG= -0.029166 TDE= -0.171173 logGD-logG0= -0.010442 tlogG= -0.047736 logG= -0.058178 Density= 0.324440 ETOT(band)= -0.349731 trlgG= -0.440828 logG= -0.058178 TDE= -0.342902 33) Finished k-point 68 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010717 tlogG= -0.047997 logG= -0.058714 Density= 0.323339 ETOT(band)= -0.350798 trlgG= -0.442164 logG= -0.058714 TDE= -0.342892 62) Finished k-point 126 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004923 tlogG= -0.023867 logG= -0.028790 Density= 0.213853 ETOT(band)= -0.233880 trlgG= -0.292869 logG= -0.028790 TDE= -0.170729 79) Finished k-point 160 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 22) Finished k-point 46 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009709 tlogG= -0.046564 logG= -0.056272 logGD-logG0= -0.005042 tlogG= -0.023225 logG= -0.028267 Density= 0.321798 ETOT(band)= -0.350376 trlgG= -0.439416 logG= -0.028267 TDE= -0.170791 logGD-logG0= -0.005197 tlogG= -0.022944 logG= -0.028141 Density= 0.216287 ETOT(band)= -0.231963 trlgG= -0.290463 logG= -0.028141 TDE= -0.170838 67) Finished k-point 136 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010487 tlogG= -0.047186 logG= -0.057673 Density= 0.322801 ETOT(band)= -0.348828 trlgG= -0.436212 logG= -0.056272 TDE= -0.341485 Density= 0.324223 ETOT(band)= -0.349364 trlgG= -0.439480 logG= -0.057673 TDE= -0.342510 65) Finished k-point 132 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 26) Finished k-point 54 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 59) Finished k-point 120 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004697 tlogG= -0.023346 logG= -0.028043 logGD-logG0= -0.005219 tlogG= -0.023737 logG= -0.028956 logGD-logG0= -0.005384 tlogG= -0.023872 logG= -0.029256 Density= 0.215707 ETOT(band)= -0.233635 trlgG= -0.294420 logG= -0.029256 TDE= -0.171368 Density= 0.321733 ETOT(band)= -0.349870 trlgG= -0.438566 logG= -0.028043 TDE= -0.170837 logGD-logG0= -0.004962 tlogG= -0.022271 logG= -0.027233 Density= 0.214327 ETOT(band)= -0.232316 trlgG= -0.289313 logG= -0.027233 TDE= -0.170104 Density= 0.216338 ETOT(band)= -0.232916 trlgG= -0.293284 logG= -0.028956 TDE= -0.171363 10) Finished k-point 22 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 36) Finished k-point 74 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 54) Finished k-point 110 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 35) Finished k-point 72 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004796 tlogG= -0.023222 logG= -0.028018 Density= 0.213566 ETOT(band)= -0.233485 trlgG= -0.292089 logG= -0.028018 TDE= -0.170681 17) Finished k-point 36 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010200 tlogG= -0.045592 logG= -0.055793 Density= 0.324138 ETOT(band)= -0.347765 trlgG= -0.434779 logG= -0.055793 TDE= -0.341331 50) Finished k-point 102 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004847 tlogG= -0.023814 logG= -0.028661 Density= 0.213639 ETOT(band)= -0.234018 trlgG= -0.293606 logG= -0.028661 TDE= -0.170985 23) Finished k-point 48 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004752 tlogG= -0.023985 logG= -0.028737 Density= 0.214185 ETOT(band)= -0.233957 trlgG= -0.293997 logG= -0.028737 TDE= -0.171167 logGD-logG0= -0.004928 tlogG= -0.022455 logG= -0.027383 29) Finished k-point 60 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005260 tlogG= -0.024065 logG= -0.029324 Density= 0.323154 ETOT(band)= -0.351005 trlgG= -0.442466 logG= -0.029324 TDE= -0.171358 Density= 0.215088 ETOT(band)= -0.231541 trlgG= -0.287919 logG= -0.027383 TDE= -0.170117 80) Finished k-point 162 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 6) Finished k-point 14 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010483 tlogG= -0.046367 logG= -0.056850 Density= 0.324089 ETOT(band)= -0.348708 trlgG= -0.437396 logG= -0.056850 TDE= -0.341954 55) Finished k-point 112 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005369 tlogG= -0.023931 logG= -0.029300 logGD-logG0= -0.005432 tlogG= -0.023658 logG= -0.029090 Density= 0.323752 ETOT(band)= -0.350473 trlgG= -0.441912 logG= -0.029300 TDE= -0.171417 Density= 0.215469 ETOT(band)= -0.233487 trlgG= -0.293722 logG= -0.029090 TDE= -0.171191 63) Finished k-point 128 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 32) Finished k-point 66 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004665 tlogG= -0.023349 logG= -0.028014 Density= 0.214249 ETOT(band)= -0.233246 trlgG= -0.292205 logG= -0.028014 TDE= -0.170845 24) Finished k-point 50 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005177 tlogG= -0.023178 logG= -0.028356 Density= 0.214932 ETOT(band)= -0.232830 trlgG= -0.291089 logG= -0.028356 TDE= -0.170554 21) Finished k-point 44 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010168 tlogG= -0.048106 logG= -0.058274 Density= 0.429426 ETOT(band)= -0.468014 trlgG= -0.588349 logG= -0.058274 TDE= -0.342186 logGD-logG0= -0.008974 tlogG= -0.048059 logG= -0.057033 57) Finished k-point 116 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.425670 ETOT(band)= -0.468078 trlgG= -0.586193 logG= -0.057033 TDE= -0.341653 43) Finished k-point 88 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005445 tlogG= -0.023337 logG= -0.028782 Density= 0.215169 ETOT(band)= -0.233229 trlgG= -0.292582 logG= -0.028782 TDE= -0.170898 logGD-logG0= -0.009529 tlogG= -0.046564 logG= -0.056094 Density= 0.428228 ETOT(band)= -0.466597 trlgG= -0.584187 logG= -0.056094 TDE= -0.341509 27) Finished k-point 56 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 48) Finished k-point 98 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010275 tlogG= -0.047629 logG= -0.057904 Density= 0.428419 ETOT(band)= -0.467883 trlgG= -0.586910 logG= -0.057904 TDE= -0.341779 logGD-logG0= -0.009666 tlogG= -0.047796 logG= -0.057461 52) Finished k-point 106 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005199 tlogG= -0.023931 logG= -0.029131 Density= 0.428166 ETOT(band)= -0.467899 trlgG= -0.587579 logG= -0.057461 TDE= -0.342139 Density= 0.216449 ETOT(band)= -0.233114 trlgG= -0.293988 logG= -0.029131 TDE= -0.171504 53) Finished k-point 108 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004926 tlogG= -0.021279 logG= -0.026205 38) Finished k-point 78 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009466 tlogG= -0.046677 logG= -0.056143 Density= 0.428025 ETOT(band)= -0.465876 trlgG= -0.581581 logG= -0.056143 TDE= -0.341092 42) Finished k-point 86 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.162694 ETOT(band)= -0.172898 trlgG= -0.215826 logG= -0.026205 TDE= -0.169821 logGD-logG0= -0.010336 tlogG= -0.047915 logG= -0.058251 logGD-logG0= -0.010509 tlogG= -0.048031 logG= -0.058540 Density= 0.430267 ETOT(band)= -0.467851 trlgG= -0.588786 logG= -0.058540 TDE= -0.342521 40) Finished k-point 82 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Density= 0.429330 ETOT(band)= -0.467976 trlgG= -0.587991 logG= -0.058251 TDE= -0.342022 78) Finished k-point 158 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 69) Finished k-point 140 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004585 tlogG= -0.023954 logG= -0.028540 Density= 0.212876 ETOT(band)= -0.234139 trlgG= -0.293354 logG= -0.028540 TDE= -0.170769 16) Finished k-point 34 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009662 tlogG= -0.047618 logG= -0.057280 Density= 0.426804 ETOT(band)= -0.468108 trlgG= -0.586707 logG= -0.057280 TDE= -0.341669 logGD-logG0= -0.009617 tlogG= -0.047736 logG= -0.057353 Density= 0.427307 ETOT(band)= -0.467660 trlgG= -0.585563 logG= -0.057353 TDE= -0.341371 logGD-logG0= -0.010300 tlogG= -0.048181 logG= -0.058481 46) Finished k-point 94 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430161 ETOT(band)= -0.468020 trlgG= -0.589113 logG= -0.058481 TDE= -0.342395 47) Finished k-point 96 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 73) Finished k-point 148 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010339 tlogG= -0.046890 logG= -0.057230 logGD-logG0= -0.009957 tlogG= -0.046358 logG= -0.056315 Density= 0.430006 ETOT(band)= -0.466225 trlgG= -0.583954 logG= -0.057230 TDE= -0.341490 Density= 0.429660 ETOT(band)= -0.465310 trlgG= -0.581263 logG= -0.056315 TDE= -0.341205 logGD-logG0= -0.010677 tlogG= -0.047691 logG= -0.058368 51) Finished k-point 104 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 45) Finished k-point 92 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.009841 tlogG= -0.047811 logG= -0.057652 Density= 0.429262 ETOT(band)= -0.467678 trlgG= -0.587558 logG= -0.057652 TDE= -0.342127 70) Finished k-point 142 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.430874 ETOT(band)= -0.467276 trlgG= -0.588077 logG= -0.058368 TDE= -0.342538 72) Finished k-point 146 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010793 tlogG= -0.047641 logG= -0.058434 logGD-logG0= -0.010021 tlogG= -0.047516 logG= -0.057538 Density= 0.431214 ETOT(band)= -0.467221 trlgG= -0.588438 logG= -0.058434 TDE= -0.342645 Density= 0.428736 ETOT(band)= -0.467229 trlgG= -0.585954 logG= -0.057538 TDE= -0.341825 logGD-logG0= -0.005097 tlogG= -0.021857 logG= -0.026954 60) Finished k-point 122 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 66) Finished k-point 134 2 with nemin= 1 nemax= 16 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 Density= 0.216689 ETOT(band)= -0.230169 trlgG= -0.286365 logG= -0.026954 TDE= -0.170165 logGD-logG0= -0.010718 tlogG= -0.047966 logG= -0.058684 Density= 0.431454 ETOT(band)= -0.467503 trlgG= -0.589430 logG= -0.058684 TDE= -0.342910 13) Finished k-point 28 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 75) Finished k-point 152 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.005008 tlogG= -0.021329 logG= -0.026337 Density= 0.217082 ETOT(band)= -0.229063 trlgG= -0.284164 logG= -0.026337 TDE= -0.169834 5) Finished k-point 12 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004849 tlogG= -0.022307 logG= -0.027156 Density= 0.322969 ETOT(band)= -0.347798 trlgG= -0.433823 logG= -0.027156 TDE= -0.170186 49) Finished k-point 100 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.010263 tlogG= -0.047530 logG= -0.057793 Density= 0.430134 ETOT(band)= -0.466872 trlgG= -0.585881 logG= -0.057793 TDE= -0.341935 68) Finished k-point 138 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.010737 tlogG= -0.047230 logG= -0.057966 Density= 0.430604 ETOT(band)= -0.466852 trlgG= -0.586606 logG= -0.057966 TDE= -0.342155 56) Finished k-point 114 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.001229 tlogG= -0.005463 logG= -0.006692 Density= 0.081223 ETOT(band)= -0.086311 trlgG= -0.107325 logG= -0.006692 TDE= -0.042557 19) Finished k-point 40 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009995 tlogG= -0.044583 logG= -0.054578 Density= 0.324381 ETOT(band)= -0.346496 trlgG= -0.431772 logG= -0.054578 TDE= -0.340654 44) Finished k-point 90 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 12 DM_nemaxx= 12 logGD-logG0= -0.004809 tlogG= -0.022306 logG= -0.027115 Density= 0.215093 ETOT(band)= -0.231830 trlgG= -0.288962 logG= -0.027115 TDE= -0.170191 18) Finished k-point 38 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.004967 tlogG= -0.021184 logG= -0.026151 Density= 0.216408 ETOT(band)= -0.229921 trlgG= -0.285418 logG= -0.026151 TDE= -0.169740 11) Finished k-point 24 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 logGD-logG0= -0.009845 tlogG= -0.044583 logG= -0.054428 Density= 0.431735 ETOT(band)= -0.461843 trlgG= -0.574490 logG= -0.054428 TDE= -0.340291 41) Finished k-point 84 2 with nemin= 1 nemax= 17 DM_nemin= 5 DM_nemax= 13 DM_nemaxx= 13 Sum of eigenvalues= -324.646351385692 eV TrLogG= -407.131561852721 eV Ratio to renormalize= 0.999735747729 rho-rho_expected= 0.005815086609